smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)CC(N)=O 150484452 MOIJAHWAZFJXSM-YGOYIFOWSA-N 692.722 1.787 0 50 KDAA biogenic CC[C@@H]1NC(=O)[C@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O 256013184 YGXCETJZBDTKRY-QLQGKOJRSA-N 866.973 1.270 0 50 KDAA 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)c3cnc[nH]3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322622 NFOATYWEUSWDKD-FNMIVORJSA-N 783.931 1.987 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(CC(C)C)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772703263 DEUQSKMDYWOSTC-AGILITTLSA-N 554.692 1.639 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(Cc3cccnc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772714562 XFCXOAPBAHIJLR-QRQMUESOSA-N 642.757 1.741 0 50 KDAA C[C@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3ccc(CN4CCc5ccccc5C4)cc3)C[C@H](CNC1=O)O2 1857703592 OBKWNJJXMXGKBH-XGNGOHRNSA-N 680.806 1.275 0 50 KDAA CC(C)[C@@H]1NC(=O)c2cc(-c3cccc4c3OC(F)(F)O4)ccc2OCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](C)NC1=O 2100534137 VKDIMCKHTYYWQS-OCZPFTLSSA-N 602.591 1.405 0 50 KDAA COc1ccc(CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)cc1Cn1cccn1 952865187 PAAOAPYLVOVKQX-URLMMPGGSA-N 625.734 1.382 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cncc(=O)[nH]3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322608 MURYNSMFQTUWPT-FNMIVORJSA-N 811.941 1.347 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc3c(c1)N(C)C(=O)CO3)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713192 CJHRWBSTBQECHD-DICHSLLOSA-N 672.787 1.925 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1cnsc1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714528 VOQRETFWOOZOOA-VLUSQRCCSA-N 651.794 1.141 0 50 KDAA CC[C@@H]1NC(=O)CN(C(=O)c2nonc2C)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775983673 QVDIUONJKLCJNO-LITSAYRRSA-N 710.796 1.922 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2onc3ncccc23)CCNC(=O)COc2cccc(c2)C1 1857703069 HVHFDIARENLUCZ-GDLZYMKVSA-N 581.626 1.509 0 50 KDAA COCCCN1CC(=O)N[C@H]2CN(C(=O)CO)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952857129 KQHPEGSJCWSAJA-LOSJGSFVSA-N 569.655 1.893 0 50 KDAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](C)C(=O)N[C@@H](c3ccccc3)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C(=O)N2C1 952868552 AGOIWDJUOKCEOY-UDPSTXDFSA-N 729.879 1.495 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@H]1CN(C(=O)c3cnn(-c4ccccn4)c3C)C[C@H]1CC(=O)NCCN(C)C2=O 1615704426 FHHZHDJVYGSWGY-YKSBVNFPSA-N 599.652 1.660 0 50 KDAA CCCOc1ccc(C(=O)N2C[C@@H]3CNC(=O)[C@@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](C2)O3)cc1Cl 1857697769 LYGKBUWPTCOUMQ-OLTCJGHMSA-N 628.126 1.159 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cc1cc(C)no1)CCCNC(=O)[C@H]1CN(C(=O)CCCn3cncn3)C[C@H]21 1875241967 YWRMSTAWLUCSDJ-RPWUZVMVSA-N 579.658 1.576 0 50 KDAA CCn1c(=O)n(CCC(=O)N2CC[C@@H](Cn3cc(Cn4cnc5c(N)ncnc54)nn3)C2)c2ccccc21 2325843967 UZDXZOXPNCURDI-QGZVFWFLSA-N 515.582 1.123 0 50 KDAA CC[C@@H](C)C(=O)O[C@H]1[C@H](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)(O)CC)CC[C@@]3(C)[C@@H]5[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]4[C@@]21O 85537146 HYTGGNIMZXFORS-MGYKWWNKSA-N 793.948 1.607 0 50 KDAA in-man CC(=O)O[C@H]1[C@H]2[C@H]([C@@H]3[C@@H](OC(C)=O)[C@@H]4[C@H]([C@H](C)C=C5OC(=O)[C@@](C)(O)[C@@]54C)[C@@]3(C)[C@H]1OC(C)=O)[C@@H](O)C(=O)[C@H]1C[C@@H]3O[C@@H]3[C@H](OC(C)=O)[C@@]12C 95616643 PTTJLTMUKRRHAT-VJAKQJMOSA-N 702.750 1.413 0 50 KDAA biogenic,in-vitro CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C(=O)O)[C@H](C)O 252550369 SMEKSEYFODSNDF-MKYZZSQHSA-N 518.570 1.729 0 50 KDAA COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCc1cccnc1)CCCNC2=O 952863102 FLNUJCKNSPJHMH-NRFANRHFSA-N 553.660 1.807 0 50 KDAA COc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccc(cc4)OCC(=O)NCCN(C)C(=O)[C@H](CC(C)C)NC(=O)CCCNC3=O)cc2c1 1704332028 OEPSNVCTZRCAPS-YTMVLYRLSA-N 648.761 1.912 0 50 KDAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)C(C)(C)OC)CCCNC(=O)COc2ccc(cc2)C1 1857704553 XFBVFFSSKGSBSD-GDLZYMKVSA-N 563.692 1.864 0 50 KDAA Cc1cc(C(F)(F)F)n(-c2nc(C(=O)N3C[C@@H]4CNC(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H](Cc5ccccc5)NC(=O)[C@@H](C3)O4)cs2)n1 1857714621 ZBKYQAQVUBCOML-PLVHLFARSA-N 718.759 1.322 0 50 KDAA O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@@H]1CCCO1)c1cccc(N=c2nn[nH][nH]2)c1 1875350793 ALXDJXJURZWONO-SFHVURJKSA-N 528.595 1.229 0 50 KDAA CC(C)[C@@H]1NC(=O)c2cc(-c3nccc4occc34)ccc2OCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](C)NC1=O 2100533131 BKSSUKUQQJCWIB-GOQSBOLVSA-N 563.611 1.224 0 50 KDAA 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@H](C)[C@H](O)[C@]1(C)O 2332764722 HRKNNHYKWGYTEN-DRPBZKIDSA-N 734.969 1.559 0 50 KDAA CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 215933246 PJENNOWAVBNNNE-QYOOZWMWSA-N 584.739 1.925 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(Cc3nc(-c4ccccc4)cs3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1615697047 WCRRTGCXRUAVTL-YKSBVNFPSA-N 558.668 1.877 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2ccccn2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713346 DQHWASFQJQZRFQ-NIJXNBFTSA-N 603.680 1.219 0 50 KDAA COc1ncc(CN2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)cn1 1772713929 WNPATVZXRKDVGE-NAKRPHOHSA-N 605.744 1.728 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1848442275 BPDBXEVYPPWFPU-DAMRUUDFSA-N 551.618 1.566 0 50 KDAA C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 85643336 WRYJYFCCMSVEPQ-ORAXXRKOSA-N 780.993 1.681 0 50 KDAA biogenic,in-vitro CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 199508512 JMTNHBQFZOWQKE-IQWMDFIBSA-N 528.474 1.945 0 50 KDAA C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 253387938 SOLICHUQXFAOEP-YDIXZRNLSA-N 913.108 1.345 0 50 KDAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc(C)c(N4CCNC4=O)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316746 CIRFXCZRPSZHLN-QVDUQQMDSA-N 705.857 1.893 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 230042077 YTBVPOCZQCDXAS-NZURDFQBSA-N 564.617 1.451 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2n[nH]c3c2COCC3)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952869649 XUWGFHOONLODIK-CQTOTRCISA-N 711.824 1.378 0 50 KDAA Cc1cc(C)n(CCC(=O)N2CC(=O)N[C@@H](Cc3ccccc3)c3nc(C)nn3CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C2)n1 1704316035 JAVLHEQKKUQCGZ-ZSQFBXSQSA-N 605.744 1.378 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(Cc3nc(-c4ccccc4)no3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713775 RUXFGOZGXJPHHW-RVQNBHMFSA-N 725.803 1.368 0 50 KDAA Cc1cn(CC(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c(=O)nc1O 1772713805 SRNTXWLBJHOOMY-UIOOFZCWSA-N 603.632 1.143 0 50 KDAA O=C1c2cccc(c2)S(=O)(=O)NCC=CC[C@@]2(CNCCO2)C(=O)NC[C@@H]2CN1C[C@H]2c1ccccc1 2325894032 LZOITWKKPICMTC-RWCIVJTCSA-N 524.643 1.255 0 50 KDAA CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)CC(N)=O 150484457 MOIJAHWAZFJXSM-CTUHWIOQSA-N 692.722 1.787 0 50 KDAA biogenic O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CN3CCOC3=O)C[C@@H]2Oc2ccc(cc2)CN1 1772704294 QKOCXUXDCOYATG-DQEYMECFSA-N 564.595 1.324 0 50 KDAA CCc1nn2c(=O)cc(CN3CCNC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c4cc(on4)C3)nc2s1 1772714316 KYVXXONTXOMCKH-NIJXNBFTSA-N 691.815 1.210 0 50 KDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)[C@H]1CC(=O)N(Cc3ccccn3)C1)CCCC(=O)NCCO2 1857702611 DRRICCRUCQOFST-FQEVSTJZSA-N 507.591 1.286 0 50 KDAA CS(=O)(=O)c1ccc([C@@]2(NC(=O)Nc3ccc4c(c3)CN([C@H]3CCC(=O)NC3=O)C4=O)CCOC2)cc1 2325901449 GUAZNSQANJUHDO-NBGIEHNGSA-N 526.571 1.288 0 50 KDAA O=C(O)CN1CCN(C(=O)CCc2ccc(N(CC(=O)O)CC(=O)O)c(OCCOc3cc4cc(-c5ncc(C(=O)O)o5)oc4cc3N(CC(=O)O)CC(=O)O)c2)CC1 195796863 RPRUGAGGOHMOHV-UHFFFAOYSA-N 825.737 1.356 0 50 KDAA CO[C@@H]1CC(=O)O[C@@H](C)C/C=C/C=C/[C@H](O)[C@@H](C)C[C@H](CCO)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H]1OC 252286716 CLLNLNUKYLQHCK-XTOLOMBCSA-N 717.894 1.293 0 50 KDAA NC(=O)[C@@H]1C(=O)N(CCNC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)[C@@]23CCOC[C@@H]2[C@H]1c1ccccc1O3 827695830 FLAXJEJSJJFDSA-XVLNURAOSA-N 518.570 1.008 0 50 KDAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCc3c(C)nn(C)c3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704327699 FYNMRYAWQCNCDU-UJLGHMMASA-N 667.852 1.724 0 50 KDAA CCc1ccc(CN2C[C@H](C(=O)N3CCCNC(=O)c4ccc(OC)cc4OCCNC(=O)C3)CC2=O)cc1 1857706233 LOORSBOZHXWLQF-JOCHJYFZSA-N 536.629 1.763 0 50 KDAA CC(C)CCN1C(=O)CN(Cc2ccncc2)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857740929 TXJJVDYBQCHTDO-JOCHJYFZSA-N 523.682 1.641 0 50 KDAA O=C1CCCN(C(=O)CCS(=O)(=O)c2ccccc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857741646 OXGDKEBDPMQNIT-NDEPHWFRSA-N 634.759 1.553 0 50 KDAA COCC(=O)N1CCCC(=O)N(CCC(C)C)CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCC1 2356136242 MAXGCZHMFRYPDG-HHHXNRCGSA-N 500.640 1.594 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 2059875 FDAUQLBUTNRJLO-VFJWVMJUSA-N 531.546 1.597 0 50 KDAA CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 162059423 NEYNJQRKHLUJRU-XFTNXAEASA-N 767.906 1.520 0 50 KDAA CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@H](C)[C@@H](O)/C=C/C=C/C[C@H](C)OC(=O)C[C@H]1OC 252286714 CLLNLNUKYLQHCK-OVUPAJTKSA-N 717.894 1.293 0 50 KDAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)CO)C[C@@H]2N1 952868021 WVZSHPDQOMKZLA-DQEYMECFSA-N 525.602 1.231 0 50 KDAA C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[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]43)[C@]2(C)O)C1 1857513876 DHQFYEJMFMYGCV-JAOMZNGXSA-N 591.786 1.711 0 50 KDAA biogenic COc1ccc2c(c1)OCCNC(=O)CN(C(=O)CCc1nc(-c3ccccc3F)no1)CCCNC2=O 1857710867 UTKUTTUEBYTWAT-UHFFFAOYSA-N 525.537 1.974 0 50 KDAA CC(C)=C(C(=O)O)N1C(=O)[C@H](NC(=O)COc2ccccc2)[C@@H]1S(=O)(=O)CC(=O)c1ccccc1 44123712 XQKYYXJOBOVJJL-REWPJTCUSA-N 500.529 1.395 0 50 KDAA CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21 52955754 XCGSFFUVFURLIX-VFGNJEKYSA-N 581.673 1.991 0 50 KDAA fda CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4C(=O)[C@@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@]45O[C@@H]5C[C@H]3C2)O[C@@H](C)[C@@H]1O 257347175 WZCKFKUUQUMLRX-ZHDDBMPKSA-N 562.656 1.421 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)CN3CCOc4ccccc4C3)C[C@@H]1NC2=O 952855901 OYZPAZLWVPZXPA-NVQXNPDNSA-N 548.600 1.100 0 50 KDAA CCN1C[C@]2(C)CC[C@@H](OC)[C@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@H]42 1857526062 DTTPWCNKTMQMTE-JLEPFFGGSA-N 507.624 1.350 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c2ccc3[nH]ccc3c2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857695369 GRNAZFPRHQTTFY-IZKCBNJNSA-N 664.723 1.631 0 50 KDAA C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C 257462825 KFYOFJUUTSALEH-LPRXDPNZSA-N 871.071 1.322 0 50 KDAA COc1cc2ccc1Oc1cc(ccc1O)CCC(=O)N[C@H](C)C(=O)N1C[C@@H](NS(C)(=O)=O)C[C@H]1C(=O)NCc1nc-2oc1C 2356137900 DSBHQMKAZYTISX-BUVFEPMLSA-N 641.703 1.742 0 50 KDAA COc1ccc(OC)c(S(=O)(=O)N2CCN(CCOc3cccc(CN(C)C[C@@H]4CCC(=O)N4)c3)CC2)c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c1ccc(OC)cc1 253387904 LLEMSCWAKNQHHA-CNLTVQIXSA-N 659.773 1.686 0 50 KDAA biogenic CC(=O)Nc1ncc(-c2nc(N3CCOCC3)c3sc(CN4CCN(C(=O)[C@H](C)OC(C)=O)CC4)c(C)c3n2)cn1 214488282 FTDGQNNMNHLPJW-KRWDZBQOSA-N 582.687 1.848 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CCN(C(=O)Cc3cc(F)ccc3F)CC2)CNC1=O 952856161 OZEIAAWCBBSYNN-IMAVRLJTSA-N 699.796 1.721 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1nnc3n1CCCC3)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704336830 RQYMWHUUASSNCE-XMMPIXPASA-N 564.647 1.278 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(Cc2ccccc2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704337913 HESQJIZPHTZHDG-CPZUZDDOSA-N 621.779 1.242 0 50 KDAA Cn1cncc1C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713998 XYCKTYHSZXWNDQ-AHWVRZQESA-N 545.596 1.920 0 50 KDAA O=C(NCc1cccnc1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 835614 GSYJFVWIOGZDBE-JOCHJYFZSA-N 500.602 1.462 0 50 KDAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)C23CCC45CC=CC4(C=CC5)CCC12[C@H](C(=O)OC)C(=O)[C@@H]3C(=O)OC 257358312 SSECTZNMULKWOP-VYTKXVPISA-N 528.554 1.748 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCCN2CCCCC2=O)CCN(C)C(=O)[C@@H](C)NC1=O 1704319606 YEGRQMMLZHQOJC-MFPKBZFRSA-N 752.939 1.400 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2nn(C)c3ccccc23)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714537 WEBBKYODBSBEIU-QLCOJLISSA-N 665.751 1.304 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(Cc2nccs2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772817422 LPGGKELOGQPFTM-QZNHQXDQSA-N 623.784 1.637 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cc3cccc(C(F)(F)F)c3)CN2C(=O)[C@@H](NC(=O)c2cccc(-n3cnnc3)c2)CCCCN1 1857705493 JQDHUBSALUEGSX-BDGPUAICSA-N 726.713 1.363 0 50 KDAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCC[C@H](N3CCNCC3=O)C2)c1 2325843990 VJHQZTVLJNFUHB-ZEQRLZLVSA-N 510.660 1.842 0 50 KDAA CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)C)C(N)=O 98052862 FMBGOORJEKQQLG-LXOXETEGSA-N 856.129 1.187 0 50 KDAA in-vitro CC(=O)OC[C@@H]1O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 230103909 OJVHDCHVHOISBO-ZVNHSCMISA-N 728.722 1.398 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccccc2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 253403056 PHDLJLBCUHARPE-WKWVNEEDSA-N 561.407 1.819 0 50 KDAA O=C(O[C@@H]1[C@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@H](O)[C@@H]1O)c1cccnc1 504249173 JTHMZZBJEBXXJU-HQJTZPOCSA-N 600.540 1.204 0 50 KDAA biogenic CCn1nc(C)c(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c4ccccc4)CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N3C2)c1C 952855798 AOEFGKWFXFXVCZ-GHCAGZQQSA-N 710.902 1.364 0 50 KDAA CCc1noc(C)c1C(=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 1704322137 HRVSKJVOKZMXGI-NFXMZFKNSA-N 714.820 1.494 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)CCCn1cncn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704324851 WFNWWYBTNDJJLC-HJRZCVLXSA-N 718.856 1.458 0 50 KDAA Cc1nsnc1C(=O)N1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1857740732 XHIDIQVPSPROOF-QHCPKHFHSA-N 603.709 1.644 0 50 KDAA Cc1ncc(C(=O)N2CCCOc3cccc(c3)[C@H]3CN(C(=O)CN4CCCCC4)C[C@@H]3C(=O)NCC2)c(O)n1 1875239975 BVCZNGDCAQSQPT-RPBOFIJWSA-N 550.660 1.560 0 50 KDAA C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@@]45C)[C@@]3(C)CO)O[C@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2332922361 IBZLICPLPYSFNZ-JCBXYOFNSA-N 913.108 1.344 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)Cn2ncc3ccccc32)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952855866 JJFAGKWNPPAVDR-TVYLWUJTSA-N 691.830 1.299 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CCN(C(=O)Cc3cn4ccsc4n3)CC2)CNC1=O 952856095 IZQAKKKCWSDJRC-KWMMTJNNSA-N 709.870 1.152 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cncc(C)c3)CN2C(=O)[C@H](C(C)C)NC1=O 952856830 GWINHDFHRBXQAE-JSDGYEMZSA-N 679.844 1.234 0 50 KDAA CC(C)CCC(=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 1704321103 BYGLFWPXUIBTNW-NEGYVOTHSA-N 555.720 1.629 0 50 KDAA COc1nc2c(cc1CN1CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C1)C(=O)N(C(C)C)C2 1772713652 OAPVXEUKQGSYEB-HCLMJZEPSA-N 716.840 1.951 0 50 KDAA Cc1cccc(N2CCN(CC(=O)N3CCCC(=O)NCCOc4ccc(C)cc4C(=O)NCC3)CC2)c1 1857670143 VYCYWJVNXCSYKG-UHFFFAOYSA-N 521.662 1.973 0 50 KDAA COc1ccccc1OCC(=O)N1CCCC(=O)N(CCc2ccccc2)CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCC1)C2 1857726213 JKGQEGQQWXNKFV-VWLOTQADSA-N 630.746 1.905 0 50 KDAA O=C1NCCCN(C(=O)c2ccc3c(c2)CCO3)CCOc2cccc(c2)[C@H]2CN(C(=O)CN3CCOC3=O)C[C@H]12 1875242264 QCILVSLPAYSYDL-RPBOFIJWSA-N 562.623 1.657 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)[C@@H]1COCCN1C)CCNC2=O 1875242562 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COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)C2CCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713669 OKXWGGKUORVFKF-PHDGFQFKSA-N 688.826 1.847 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)c1cc3n(n1)CCNC3=O)CC(=O)N[C@@H]([C@@H](C)O)C(=O)NCCc1c([nH]c3ccccc13)C2 1857688938 QYQNGLVWKKZXGY-QJWGWKRISA-N 657.728 1.156 0 50 KDAA CS(=O)(=O)N(CC(=O)N1CCCNC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CC1)c1ccccc13)c1cccc(F)c1 1875241539 FMSLYOARHHXKMW-RPFOIHMYSA-N 583.686 1.667 0 50 KDAA NC(=O)CC[C@@H](C(=O)N1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1)N1C(=O)c2ccccc2C1=O 1875322030 GAPCQEQJXYUWOQ-INIZCTEOSA-N 539.035 1.555 0 50 KDAA Cn1cc(-c2cccc3oc(C(=O)N[C@H]4CCCN(CC(=O)Nc5ccc(S(N)(=O)=O)cc5)C4)cc23)nn1 2325899538 JHWSEZIAIKVOMK-KRWDZBQOSA-N 537.602 1.709 0 50 KDAA CC1(C)C(=O)N(C[C@@H](O)CNc2ccccc2)C(=O)N1CN1C(=O)N(C[C@@H](O)CNc2ccccc2)C(=O)C1(C)C 864281 ARBNOTHFMBZDLR-GOTSBHOMSA-N 566.659 1.976 0 50 KDAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2ccccn2)NC1=O 952861682 FCJKCAXLYCMZBP-IUFAUYNMSA-N 640.741 1.083 0 50 KDAA CN1CCNC(=O)c2cccn(c2=O)Cc2cn(nn2)[C@@H]2CN(C(=O)CCCc3cccs3)C[C@@H]2CC1=O 952863867 DKPUEVQMUGTUFN-PGRDOPGGSA-N 537.646 1.164 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(=O)O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 2671478 XRTCDGROPHYTHN-AGGMBTAESA-N 519.535 1.218 0 50 KDAA CNc1nc(I)nc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@]2(COP(=O)(O)O)C[C@H]12 3926308 NMVWLEUONAKGCD-SMWKGLLFSA-N 561.166 1.011 0 50 KDAA in-vitro COc1cc2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 59790817 BJGIWVGXMRUMNA-WBYCZGBQSA-N 542.493 1.102 0 50 KDAA biogenic,in-vitro 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@]1(C)O 248163170 MQTOSJVFKKJCRP-LFMKZXJSSA-N 748.996 1.901 0 50 KDAA in-vitro CO[C@@H]1O[C@H](OC(C)(C)[C@H]2O[C@]34C[C@@]5(C)[C@@H]6[C@@H](O)C[C@H]7C(C)(C)[C@@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@@H]8O)CC[C@@]78C[C@@]68CC[C@]5(C)[C@H]3[C@H](C)C[C@H]2O4)[C@H](O)[C@H](O)[C@@H]1O 253499148 SPEHTZJJRZONBU-VESNRCPVSA-N 782.965 1.557 0 50 KDAA biogenic COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@]5(C)[C@H](C(=O)CO)CC[C@@H]5[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@@H]1O 257350047 UHXRPNKSNMPJSI-VEXJSXLTSA-N 524.651 1.573 0 50 KDAA COCC(=O)N1CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2cc(on2)C1 1772701570 OBWFXASDQCIXIV-GHTZIAJQSA-N 580.646 1.060 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(Cc2ccccn2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713189 GZUFQORKBWTEJC-QKZGOTKPSA-N 623.714 1.775 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cn1cnnn1)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857725093 WHTWMZFACSSGNO-UHFFFAOYSA-N 530.589 1.788 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cccnc3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356161157 JAFOQIWNJZDAEH-ZCYQVOJMSA-N 532.553 1.809 0 50 KDAA 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](O)[C@]1(C)O 85534336 ULGZDMOVFRHVEP-RWJQBGPGSA-N 733.937 1.786 0 50 KDAA biogenic,fda O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(C(=O)CCC(=O)c3ccc(F)cc3)CCN2C(=O)[C@H](Cc2ccccc2)N1 952864565 IWYDLFJOSPKLDT-IZZNHLLZSA-N 603.655 1.257 0 50 KDAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(O)(c3ccccc3)CC2)NC1=O 952869127 INERRTQGPLSLDI-MXXPZBAXSA-N 695.817 1.840 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CN3CCC(C)CC3)C[C@@H]1NC2=O 1704321485 QLTCNRZIPFRHJT-OZXSUGGESA-N 536.629 1.824 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772705713 VOMCAAQVCAFAHL-HCLMJZEPSA-N 685.782 1.950 0 50 KDAA CO[C@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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 252694522 LSYMYCGGQIXKCY-OJZDADFVSA-N 726.901 1.052 0 50 KDAA biogenic Cc1nc(C(C)C)sc1C(=O)N1CCC2(CC1)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)COc1cccc(c1)C2 952863113 FOLGMUMOVQNRQV-HRNNMHKYSA-N 682.844 1.521 0 50 KDAA CCN(CC)CCN(CC(C)C)S(=O)(=O)c1ccc(N2CCN(Cc3cnn(C)c3)CC2)c(S(N)(=O)=O)c1 2325823250 LIZQMCWNELBSBD-UHFFFAOYSA-N 569.798 1.378 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3cnn4cccnc34)C[C@@H]1NC2=O 2356163064 VVRFWASSGLSVOB-CPJSRVTESA-N 572.578 1.457 0 50 KDAA O=C1CCNC(=O)C2(CCN(C(=O)CN3CCOCC3)CC2)Cc2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)O)N1 952863932 WOJWEKGJBOYLCV-SANMLTNESA-N 578.666 1.594 0 50 KDAA Cc1cc(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)on1 952864448 WBZQYFBZMUKKID-SGGJORCASA-N 673.171 1.522 0 50 KDAA CC(C)CCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cscn3)C[C@H]2c2cccc(c2)OCC(=O)N[C@@H](CO)C1=O 952868587 CLVFEVUBUTUUAG-FKWFRFQNSA-N 690.823 1.339 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)Cc2ccc3c(c2)OCO3)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713328 HEURKCINOAUWEU-LPPUWEFUSA-N 660.728 1.481 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(S(=O)(=O)N(C)C)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940197247 CEPYYSRTLANOJP-OAQYLSRUSA-N 520.656 1.088 0 50 KDAA O=C1NCCCN(C(=O)CN2CCCCC2)CCOc2cccc(c2)[C@H]2CN(C(=O)C3CCOCC3)C[C@H]12 1940197588 AREUYVLPRUHQHS-FTJBHMTQSA-N 526.678 1.868 0 50 KDAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)CN2CCOC2=O)CC1=O 2356136611 BEEHKWKQQUQRJD-LJAQVGFWSA-N 555.676 1.400 0 50 KDAA CCOC(=O)/C=C/[C@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)[C@@H](NC(=O)c1cccc(O)c1C)C(C)C 64858851 YQKMRGLFGXKLJC-ZNEOOAIWSA-N 505.612 1.582 0 50 KDAA in-vitro CN1CCc2nc(C(=O)N[C@H]3C[C@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1 114447089 HGVDHZBSSITLCT-KMFMINBZSA-N 548.069 1.290 0 50 KDAA in-vitro 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@]1(C)O 248163154 MQTOSJVFKKJCRP-GTLFXTQLSA-N 748.996 1.901 0 50 KDAA in-vitro CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)C=CC(C)=C[C@H]1CO 299807632 WGUJDBLMJBJUQU-ZRBWAJAZSA-N 597.746 1.402 0 50 KDAA CNC(=O)c1noc(CN2CC[C@@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@@H]3C2)n1 1615692779 INGPDQBHVNKNAA-YADHBBJMSA-N 548.600 1.891 0 50 KDAA CC(C)(C)OC(=O)CCOCCOCCOCCN(CCOCCOCCOCCN)CCOCCOCCOCCC(=O)OC(C)(C)C 575440654 DTRLMBLMSQXPOL-UHFFFAOYSA-N 712.919 1.860 0 50 KDAA COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CC1)NC2=O 952865060 MZRQTLFSBGNKQA-NRFANRHFSA-N 518.574 1.376 0 50 KDAA Cc1ccc(CN2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)cc1C 1616117509 CDRFFPMZWGJYFD-QPPBQGQZSA-N 503.607 1.370 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704318862 SBLYKMBIUJRHSB-IBGGVINMSA-N 581.714 1.228 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cn[nH]c1)CCCCNC2=O 1857697580 FBVUJADCCHXXHX-TUJMVGRMSA-N 707.785 1.508 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)c1cc3cccc(Cl)c3n1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1875240151 JXSWPBAOXZPOQW-OSPHWJPCSA-N 570.046 1.387 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34[C@H]2[C@H](OC)[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 252426642 IPWQJEONCUFCOR-KQRPFZSQSA-N 710.821 1.952 0 50 KDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cn2nn1 952865827 UENYIUMGQOXPSH-ZRZALWPLSA-N 651.772 1.963 0 50 KDAA O=C1CN(C(=O)CCn2cnnn2)CCCCOc2cccc(c2)[C@H]2CN(C(=O)Cc3cccc(F)c3F)C[C@@H]2N1 2100532970 PQZRPXQHOXPGGW-VWNXMTODSA-N 567.597 1.696 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(C(=O)CCc3ccc(O)nn3)C[C@@H]1NC2=O 2356161376 SKQUUEHIFVBENG-XZOQPEGZSA-N 561.595 1.611 0 50 KDAA C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[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]43)[C@]2(C)O)C1 253487066 DHQFYEJMFMYGCV-FWQKHUBVSA-N 591.786 1.711 0 50 KDAA CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@H](C(=O)NCc2cccc3[nH]ccc23)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952856384 AQBVIOUDKMVGMJ-SLFPAOIGSA-N 616.719 1.541 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]1NC2=O 952862742 DEWIOUCWXXWKAC-CYFREDJKSA-N 521.530 1.177 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CCCN2CCCCC2=O)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704322136 HQJUSYUORFOHAT-AXUDQSAQSA-N 734.895 1.138 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3cnc(N4CCOCC4)nc3)C[C@@H]1NC2=O 1704322478 IKFCIDLLUIDTNX-IGKIAQTJSA-N 574.638 1.392 0 50 KDAA CC1(C)C(=O)N(C[C@@H](O)CNc2ccccc2)C(=O)N1CN1C(=O)N(C[C@H](O)CNc2ccccc2)C(=O)C1(C)C 864279 ARBNOTHFMBZDLR-ZRZAMGCNSA-N 566.659 1.976 0 50 KDAA CN1CCc2nc(C(=O)N[C@H]3C[C@H](C(=O)N(C)C)CC[C@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1 114446036 HGVDHZBSSITLCT-UNEWFSDZSA-N 548.069 1.290 0 50 KDAA in-vitro COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OP(=O)(O)O 306146644 LIQODXNTTZAGID-SRSAAEJQSA-N 668.541 1.105 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)C2CCOCC2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772701399 KRQZKFVDIULTMT-ZGOJTZKKSA-N 644.729 1.133 0 50 KDAA O=C1COc2cc(cc(C(=O)N3CCN(CCO)CC3)c2)C(=O)N[C@H]2CN(C(=O)Cc3ccsc3)C[C@@H]2Oc2ccc(cc2)CN1 1772713303 IZXJYCWAPSIICH-VMPREFPWSA-N 647.754 1.138 0 50 KDAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cc3n(n2)CCNC3=O)CCNC(=O)COc2cc(ccc2OC)C1 1857688948 SUEBJPDNLIBXLV-JGCGQSQUSA-N 638.722 1.075 0 50 KDAA Cc1nc(CC(=O)N2CCCOc3cccc(c3)[C@H]3CN(C(=O)CN4CCOC4=O)C[C@@H]3C(=O)NCC2)cs1 1940195325 LWTDSEXDNMXJKZ-PKTZIBPZSA-N 555.657 1.416 0 50 KDAA O=C1CC[C@@H](N2Cc3c(cccc3S(=O)(=O)N3CCC4(CC3)OCCc3ccsc34)C2=O)C(=O)N1 2325898939 FVCSXCPPWBJCEH-GOSISDBHSA-N 515.613 1.762 0 50 KDAA CN1CC(=O)N[C@H]2CN(C(=O)CN3CCOC3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952861551 AOWKHPKXHXSUOH-LOSJGSFVSA-N 550.612 1.938 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cc4c(nc3OC)CCC4)C[C@@H]1NC2=O 952864310 ZWFAZLCQEWKVPL-URXFXBBRSA-N 534.573 1.411 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)Cc3ccc(O)cc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322662 NZOYIRSJMHQIDM-KZNIJNHCSA-N 637.778 1.689 0 50 KDAA COc1ccc(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)cc1OC 1704327781 JMAQUSWNZNSDKH-RLCLQLSTSA-N 724.815 1.621 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2ccncc2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704319277 UXFNVVZCLDGRPG-OKJKUSBXSA-N 596.754 1.148 0 50 KDAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)[C@@H]1CCC(=O)N1)C2 1772713489 NMFVDRQHHWNVGX-BJKOFHAPSA-N 620.707 1.296 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]1NC(=O)CC2 1772713776 SEPCOBOWKRMQFW-OZXSUGGESA-N 560.607 1.424 0 50 KDAA COCCn1ccnc1CN1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1704328042 WTNPURSCKSBQEJ-DHLKQENFSA-N 535.601 1.609 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)[C@H]1CCCO1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533441 PIQLQQCGDOSGCB-RCZVLFRGSA-N 541.649 1.996 0 50 KDAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cc5n(n4)CCN(C)C5=O)C3)CN2C1=O 2100533632 BRJWTBUBEWSWSU-LQRWWVPMSA-N 603.724 1.064 0 50 KDAA O=C(O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1 150339083 RYWCQJDEHXJHRI-XJMXIVSISA-N 862.922 1.978 0 50 KDAA investigational COc1ccc(CCN2C(=O)N[C@@H](CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)C2=O)cc1OC 225410238 XPGOIIJPWMFXCY-AABGKKOBSA-N 508.575 1.755 0 50 KDAA biogenic 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](NC)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 257358381 TXOOBKBDBNRQCF-OKMUBZGPSA-N 719.910 1.443 0 50 KDAA CCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccncc1 334160906 OJEBQBHXKXOIPU-YHZBMZHBSA-N 535.579 1.108 0 50 KDAA CC(C)C[C@@H]1NC(=O)CNCCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704319561 WNTUJGVDTNQADI-WDJPJFJCSA-N 638.795 1.194 0 50 KDAA CSc1ncccc1C(=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 1704322305 LXTHTNCNCZASIM-XDDOSOJWSA-N 608.765 1.623 0 50 KDAA CC(C)n1c(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)nc2ccccc21 1704322988 RPINIHBFGHZGCQ-NBGIEHNGSA-N 557.659 1.684 0 50 KDAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2[nH]cnc2C)CCCNC(=O)COc2ccc(cc2)C1 1857688786 DWATZJJUWISSPT-GDLZYMKVSA-N 571.675 1.784 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCO2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857698468 SPOMZTUKGLTNLW-RSPDEVONSA-N 631.734 1.678 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2sccc2Cl)C[C@H]2OCC[C@H](NC1=O)[C@@H]2O 1704318653 PBWSJMLSQUOWOD-JJYSGKPMSA-N 688.247 1.741 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)Cc2ccccn2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322175 JYIBSQRPOHBRTO-VHOQWXFLSA-N 610.781 1.077 0 50 KDAA Cc1cc(=O)c(O)c(C2(CC(=O)NCCS(=O)(=O)N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)CCSCC2)o1 1848442597 BRUCQYIGSYNPIX-MOPGFXCFSA-N 563.698 1.536 0 50 KDAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2[nH]cnc2C)CCCNC(=O)COc2ccc(cc2)C1 1857688787 DWATZJJUWISSPT-LJAQVGFWSA-N 571.675 1.784 0 50 KDAA O=C(O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1 504249172 JTHMZZBJEBXXJU-DJZLDEFYSA-N 600.540 1.204 0 50 KDAA biogenic COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)c1cccc(c1)CNC2=O 952858704 GFLWRBRSRQNQBH-BCHFMIIMSA-N 591.669 1.575 0 50 KDAA COCC1(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(ccc3OC)CCC(=O)NCCC2)CC1 952863302 UYFXHGGAMCCFHN-NRFANRHFSA-N 560.692 1.525 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)CC[C@@H]2CCCN3CCCC[C@H]23)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704322079 FCYXBFUOWKMVKM-ARLIAPNSSA-N 751.970 1.295 0 50 KDAA CC(C)C[C@@H]1NC(=O)c2c3ccccc3[n+]([O-])n2C[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C)N(C)C1=O 1704323550 QTWVWEZOTGPSEU-NLBVZHFQSA-N 661.804 1.653 0 50 KDAA Cc1nn2ncccc2c1C(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1772703789 JKCDYBXAAQOLSB-QEMZJVQQSA-N 710.792 1.337 0 50 KDAA CCn1ccc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)n1 1772704383 SYXSSIZFYWSUHU-QRQMUESOSA-N 659.788 1.562 0 50 KDAA COCCN1CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCCCN(C(=O)c3cnc(-c4cccnc4)nc3C)CCCC1=O)C2 1857723998 GZBGJYFRMPDEMA-QHCPKHFHSA-N 631.738 1.085 0 50 KDAA COc1cccc2[nH]c(C(=O)N3CCCCNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)c4cccc(c4)OCCNC(=O)C3)cc12 1857724714 OHJDISVWXWYEPI-VWLOTQADSA-N 601.664 1.788 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cccc3c1CCC3=O)CCCNC(=O)[C@H]1CN(C(=O)CN3CCOCC3)C[C@H]21 1875239950 AUVXDFQMOIAXFP-SXOMAYOGSA-N 604.704 1.739 0 50 KDAA O=C1CC[C@@H](c2ccccc2)CCNC(=O)CN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CCCN1 1940196230 TUXUPDLOZNLLPH-OAQYLSRUSA-N 540.642 1.640 0 50 KDAA CC(=O)OC[C@@]12[C@H]3[C@H](OC(C)=O)C[C@]4(C)[C@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]1(O)C[C@@H](OC(C)=O)C[C@H]2O 257348941 KESMJXVKHKQATP-QOUBJJRISA-N 564.628 1.346 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(CCN3CCCC3=O)C[C@@H]2Oc2ccc(cc2)CN1 1772703072 BKYFCNOINDLWJR-SVBPBHIXSA-N 548.640 1.968 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)COc2ccc(F)cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714035 XFTNQECIELMXPB-SACAOSOOSA-N 650.708 1.728 0 50 KDAA CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@H]1OC[C@@]31OC(C)=O 1772820286 XGWGQEYABFGJID-AIZFBSQFSA-N 938.033 1.895 0 50 KDAA CC(C)CCCC(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@H](CO)NC1=O 1857700957 DVAZLEVDAQJTLN-CAVYSCNFSA-N 633.750 1.662 0 50 KDAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)C2CCOCC2)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857701258 KBSKBEDYDMCYEH-AMGIVPHBSA-N 705.813 1.621 0 50 KDAA COCCC[C@@]1(C(=O)NCCCO)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857702305 HXMJJMPKBDPTMM-LJAQVGFWSA-N 551.644 1.429 0 50 KDAA COCC[C@@]1(C(=O)NCCC(C)C)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875240348 AYVLVIZNEVPXRV-MHZLTWQESA-N 504.672 1.799 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)CCC2CCN(C)CC2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772714483 SQLKTPUTOLCBPT-RVQNBHMFSA-N 685.826 1.828 0 50 KDAA COC(=O)[C@]1(Sc2ccccc2)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 137554079 NPLKOUSSDBQHEN-JRGUPUORSA-N 583.612 1.300 0 50 KDAA COC(=O)c1ccc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1 409413468 FGZQBHXNNSNRCS-PBEJRMEISA-N 519.554 1.920 0 50 KDAA biogenic CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc4c(c3)CCO4)CN2C(=O)[C@H](C(C)C)NC1=O 952857260 KQBDRBKPOOUNAR-DGFLCFBESA-N 706.866 1.465 0 50 KDAA CCC(=O)c1ccc(OCC(=O)N2C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C2)cc1 952857344 FERBNNPZWRHJKV-REWPJTCUSA-N 520.546 1.263 0 50 KDAA CCOCCC(=O)N1CC(=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 1704318060 NQHSXLSJEUZFFH-CBRSEMLDSA-N 603.761 1.168 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)/C=C/c2ccccc2)Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1772705046 JUVROKZBDRQOME-HKQMNUIQSA-N 661.800 1.712 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCC(=O)N(C)C)C[C@@H]1NC(=O)CC2 1772713341 HTYIWZYLTBQOMZ-DHLKQENFSA-N 552.628 1.279 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)CSCCN2CCCC2)CCNC1=O 952864941 SREYNZZRUIEDQS-RUZDIDTESA-N 603.765 1.971 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)Cc1nc(-c3ccccc3)oc1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1857740836 ORULCFMNTGDAIA-WINIVTDRSA-N 577.638 1.134 0 50 KDAA CC(C)[C@@H]1NC(=O)c2cc(-c3ccc4c(c3)CCO4)ccc2OCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](C)NC1=O 2100533095 ABKPVSSUNJVYCL-ZUXHLUFDSA-N 564.639 1.018 0 50 KDAA COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C 49952396 CMEUDEVBFFPSEI-NFHWZJRKSA-N 627.695 1.134 0 50 KDAA in-vitro COc1ccc2cc1OCCN(C(=O)c1ccncc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704322089 FIFAAYQATYCPKG-XMMPIXPASA-N 520.590 1.746 0 50 KDAA CCn1ccnc1CN1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1704323788 URILLTWGLWLGKT-URXFXBBRSA-N 505.575 1.982 0 50 KDAA C[C@@H]1CC[C@H]2N(C[C@@H]3[C@H](CC[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]43)[C@]2(C)O)C1 1857513878 DHQFYEJMFMYGCV-SLXHYCHDSA-N 591.786 1.711 0 50 KDAA biogenic CN1CCN(CCc2cn(-c3ccccc3CCC(=O)N[C@@H](C(N)=O)c3ccc(Cl)cc3)nn2)CC1 2325851078 OQNHCFWXCWLCLG-RUZDIDTESA-N 510.042 1.986 0 50 KDAA O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(C/C=C/c3ccccc3)CCN2C(=O)[C@H](Cc2ccccc2)N1 952857364 FMEIRPGHFADGSN-DMXPUFHTSA-N 541.656 1.642 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccccc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772706203 IESGVYAKPWQSTP-QLCOJLISSA-N 611.699 1.417 0 50 KDAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cnn5ccn(C)c45)C3)CN2C1=O 2100534234 ZBRMKTORPNLENE-PTMODEPLSA-N 573.698 1.768 0 50 KDAA C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 169715859 DHQFYEJMFMYGCV-ZOIBVQJZSA-N 591.786 1.711 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)c2ccc3c(c2)OCO3)CCCNC1=O 1704336807 PULIYDTWOGCXPN-RASJMTDNSA-N 607.708 1.531 0 50 KDAA CCc1c(C)nn(CC(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)c1C 1772713928 VAROEEMXGNVDKA-KEPSJGTLSA-N 671.799 1.179 0 50 KDAA CCCNC[C@]1(O)[C@H](C)O[C@@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]2C)C[C@@]1(C)OC 94313254 GUARTUJKFNAVIK-QPTWMBCESA-N 806.092 1.928 0 50 KDAA biogenic,in-vitro COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)Cn3cnnn3)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952856803 RISVFERHHTUYOK-OZXSUGGESA-N 575.626 1.324 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)Cn3ncc4ccccc4c3=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316592 WIZIEYKERDMOSW-UJLGHMMASA-N 689.814 1.151 0 50 KDAA CO[C@@H]1O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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@]3(C)[C@H]2C[C@@H]1C 1772491560 BVIDWSOBXYNOCV-UVQKCXRUSA-N 726.901 1.052 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)CCC(=O)N2CCCCCC2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713306 JAKRUYLXUJYUBO-JPHFWNGBSA-N 688.826 1.286 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)[C@H]2CCCO2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713366 HZACDASDPGZNOG-SNYPKGJZSA-N 655.797 1.902 0 50 KDAA Cc1noc(C)c1CCC(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@H](CO)NC1=O 1857702902 SWQWIEZKZSRMRT-NUKCWJJBSA-N 672.743 1.073 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)Cn1cc(C)c(O)nc1=O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533646 CKANMPJWLRZMQG-VWLOTQADSA-N 643.701 1.284 0 50 KDAA O=C1CC[C@@H](N2Cc3c(cccc3S(=O)(=O)N3CCC4(CC3)CC(=O)c3cc(F)ccc3O4)C2=O)C(=O)N1 2325898977 HLMNDSKXUQUYKU-LJQANCHMSA-N 541.557 1.775 0 50 KDAA O=C(NC[C@@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)NC[C@@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1 209633447 RMYVVSKNFAMRGJ-DNQXCXABSA-N 608.608 1.063 0 50 KDAA COc1ccc(CCc2nnc(S[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3NC(C)=O)n2C)cc1OC 253494564 XYKXKKAJJSYDFW-RGFLIBBCSA-N 608.670 1.366 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)Cc3csc(C)n3)C[C@@H]1CC(=O)NCCN(C)C2=O 952856745 BASNDJJPTYVOOR-LAUBAEHRSA-N 553.645 1.465 0 50 KDAA CSCC[C@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952857115 JMQMBBAYQYEVBK-OOGFAMDPSA-N 658.181 1.085 0 50 KDAA Cc1ccc2nc(CCC(=O)N3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)[nH]c2c1C 952858173 WEOKZQNFGJCOQM-RRPNLBNLSA-N 625.734 1.581 0 50 KDAA COc1cc(Cl)ccc1C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cn2nn1 952865015 LFMYUGQAJSIEGG-YUZJIJRXSA-N 608.099 1.894 0 50 KDAA Cc1nnc(CN2C[C@@H]3NC(=O)c4cc(cc(C(=O)NCCCn5ccnn5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)s1 1772703046 GMDDHLPXORJKOJ-UIOOFZCWSA-N 631.719 1.329 0 50 KDAA COc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)C4(CC4)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](C)NC3=O)cc2c1 1800430774 ZDFBYMQYPDCLAS-TVNVSJRUSA-N 680.762 1.907 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857704391 PWTZCRJGXKTONC-IGGSKGJRSA-N 713.844 1.465 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(Cc3ccccn3)CCCC1=O)C2 1857724683 MXIZFVAKBKKEBF-QFIPXVFZSA-N 523.682 1.641 0 50 KDAA O=C1CN(C(=O)[C@@H](O)c2ccccc2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740102 IABFGCOFEQMTER-FIBWVYCGSA-N 611.703 1.904 0 50 KDAA C[C@H]1C(=O)Nc2cc(C(=O)N3CCOC[C@H]3c3cn(CC(=O)NCc4ccccc4)nn3)ccc2N1C 2325851194 RKDUMMLTQMVIPW-SBUREZEXSA-N 503.563 1.585 0 50 KDAA COc1cc(N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)c2nc(COc3cc(C)ccc3N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)ccc2c1 95670558 ANRZUBSJAOAXHS-UHFFFAOYSA-N 829.765 1.999 0 50 KDAA in-vitro CCN1C[C@@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@@H](OC)[C@]34[C@H]1[C@](O)([C@@H](OC)[C@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 257361236 NXAZXMKMGPWXII-FUXQQCMCSA-N 699.842 1.586 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(Cc1ncc[nH]1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952856471 GWZMXGSKZBNBIZ-VWLOTQADSA-N 572.670 1.995 0 50 KDAA COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952863923 JPZQLWPLOHTJHY-UXJUWBFNSA-N 649.749 1.123 0 50 KDAA 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)c3ccc(-n4cnnn4)cc3)C[C@H]2C(=O)N1 1704315859 FLMHGYKXLVHJLW-WQHLKDILSA-N 701.829 1.652 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)Cc2cccs2)C[C@H](Cc2ccccc2)NC1=O 1704323543 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551.064 1.215 0 50 KDAA NS(=O)(=O)c1ccc(NC(=O)CSc2nsc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2)cc1 2383738 IYGITJWQHYSZEQ-UHFFFAOYSA-N 574.713 1.295 0 50 KDAA CC(C)C[C@@H]1NC(=O)CCCNC(=O)[C@@H](NC(=O)C(C)(C)C)Cc2ccc(cc2)OCC(=O)NCCN(C)C1=O 1704317434 HWXHKURUAKYFSH-GOTSBHOMSA-N 559.708 1.154 0 50 KDAA O=C(CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1cccc(C(F)(F)F)c1)NC(CO)CO 27644653 ORCZFZVTIVYUMI-CTZICMAHSA-N 531.568 1.945 0 50 KDAA in-vitro COc1ccc(-c2oc3c4c(cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)OC(C)(C)C=C4)cc1 299817836 WNTBDGJNPGBIQF-NLDOALJTSA-N 658.653 1.417 0 50 KDAA biogenic Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1cccc(-n3cccn3)c1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714100 AOXHRKQSQSCFFM-AUDQHHLHSA-N 710.840 1.870 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCc1cccnc1)C2 1857697416 UOOXLZHEXIOJSD-GDLZYMKVSA-N 537.661 1.730 0 50 KDAA O=C1CCCN(C(=O)c2ccccc2-c2nc[nH]n2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857726073 VULONSOYMGMFDE-MHZLTWQESA-N 609.691 1.788 0 50 KDAA O=C1NCCCN(C(=O)C2CCS(=O)(=O)CC2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@@H]1C[C@@H]1CCCN13 2356136555 ZFYYPFLYCKJIJZ-ZVUIFXONSA-N 528.675 1.276 0 50 KDAA CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@@]2(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1 575626116 RIPYIJVYDYCPKW-FQLVNIKESA-N 687.783 1.219 0 50 KDAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(C(=O)Cn1cnnn1)CCNC(=O)CC2 1857725822 OIPBVJWXZWLRAR-QFIPXVFZSA-N 563.615 1.278 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)c1csc3ccccc13)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1875242095 NGLKNKPTZIQAPL-OSPHWJPCSA-N 538.626 1.456 0 50 KDAA CC(C)Cc1nc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)O)NC3=O)no1 1772714306 KJKIYFNUYASUCT-HGEJQUNWSA-N 719.840 1.288 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCCC(=O)OC)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1857699388 OPTRXXXOPFHZEJ-DCFHFQCYSA-N 600.717 1.865 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(c3ccc(-c4nccn4C)nn3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162146 ZQMHZETWGNIACG-AHWVRZQESA-N 585.621 1.969 0 50 KDAA CNCC(=O)N1CC[C@@H]2NC(=O)NCCNC(=O)c3cc(OCCOC)cc(c3)Oc3cccc(c3)CO[C@H]2C1 952864516 IKMKTPYFZVJFBS-DQEYMECFSA-N 555.632 1.252 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)c2ccc(F)cc2)C[C@@H](c2ccccc2)NC1=O 1704321701 WEEDGOLOKICRPY-VPGOCXLASA-N 668.726 1.814 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)Cc1c(C)noc1C)CCCNC(=O)[C@@H](C)NC2=O 1704337080 UFWZGHHMUSCMFZ-LJQANCHMSA-N 537.621 1.870 0 50 KDAA Cc1nc2ccccc2n1CCC(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC2=O 1772713782 SLTVQVFXDHMAPX-MGMSZRMWSA-N 753.857 1.393 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1nn(C)cc1Cl)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714018 YHKHHOGNJRHKKJ-BVAGGSTKSA-N 626.162 1.957 0 50 KDAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CNC(N)=O)CCCNC(=O)c2csc1n2 1772818832 ZDCUAKZUZCKFAE-MBSDFSHPSA-N 626.765 1.757 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2ccc[nH]2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1800430292 GPXPQWOOQJUQQV-PHDGFQFKSA-N 699.809 1.689 0 50 KDAA O=C1CN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857702938 JDSREFSCKJFGAZ-NRFANRHFSA-N 567.039 1.790 0 50 KDAA Cc1c(CC(=O)NCC(=O)N[C@H](C(=O)NC[C@H]2CC[C@H](C(=O)O)CC2)C(C)C)c(=O)oc2cc(O)ccc12 245324903 CDWSCVRLKDBMQF-UAVUOLJFSA-N 529.590 1.614 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]1NC2=O 1704326583 HWRQCXRVJPUPHS-URXFXBBRSA-N 531.569 1.618 0 50 KDAA CCOC(=O)[C@@H]1CCCN([C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](N5CCC[C@@H](C(=O)OCC)C5)C4=O)cc3)C2=O)C1 17356814 LGOAXZLLIJEMGB-FAYOUJPWSA-N 582.654 1.501 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 150594877 ORICVOOXZDVFIP-DCCZIWHZSA-N 656.641 1.651 0 50 KDAA 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](O)[C@@]1(C)O 169722555 ULGZDMOVFRHVEP-SLXOLFOCSA-N 733.937 1.786 0 50 KDAA CN(C)C(=O)NCC(=O)N1CC[C@]23C(=O)N(CC(=O)N(C)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952863078 FKPLYNNKQFNCSB-LBNVMWSVSA-N 519.602 1.757 0 50 KDAA COc1ccc(-c2ccc(C(=O)N[C@H]3CCCNC(=O)CN(C)C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC3=O)o2)cc1 1704322030 COPOKNSKXMIODF-UAMFUYNYSA-N 702.809 1.795 0 50 KDAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)C[C@H]2C(=O)N1 1704324020 LGFFTSJNYQVYDJ-ZDDIXMJPSA-N 578.714 1.520 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccc(F)cc3F)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772705838 SFTUBPFATFBKLS-AJMMQEIQSA-N 721.758 1.625 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1c(C)nn3ncccc13)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772817945 UYVIJOFWBAFNOH-OXVGDENJSA-N 699.817 1.036 0 50 KDAA CCS(=O)(=O)N[C@@H](C)C(=O)N1CC=C[C@@H](NC(=O)c2ccc(OC)cc2I)C1 2325877350 PENZUEUCJIXQCG-QWHCGFSZSA-N 521.377 1.124 0 50 KDAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)CN2CCOC2=O)CC1=O 2356136610 BEEHKWKQQUQRJD-GDLZYMKVSA-N 555.676 1.400 0 50 KDAA Cc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CCN(C(=O)CCC(=O)N(C)C)C[C@@H]1NC2=O 2356161198 KJBDAHAWIGMKQM-GOTSBHOMSA-N 522.602 1.650 0 50 KDAA CCO[C@@H]1O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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@]3(C)[C@@H]2C[C@H]1C 253499142 RDRPORVAKXEYRR-XUTGOHAJSA-N 740.928 1.442 0 50 KDAA biogenic CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(Cc2ccccn2)CCCNC1=O 1704321593 AZEFATSLQXUBLB-BUALBWRZSA-N 550.704 1.557 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)c2cc[nH]c2)CCCNC1=O 1704322633 NGZKHYSGMMCACX-JHMXWDHMSA-N 552.676 1.130 0 50 KDAA CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325899033 KEYCQWKSXUOZMR-WMLDXEAASA-N 506.581 1.125 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3c(C)[nH]c(C(C)=O)c3C)C[C@@H]1NC2=O 952856690 CQRJSEIJAYVXGL-UGKGYDQZSA-N 522.562 1.666 0 50 KDAA CS(=O)(=O)N(CC(=O)N1CCCNC(=O)c2cc(Cl)ccc2OCCNC(=O)C1)c1cccc(F)c1 1857703816 ZCIQZTXFILZARU-UHFFFAOYSA-N 541.001 1.402 0 50 KDAA CS(=O)(=O)NCCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 952856299 DMHKKNFIDXOUEI-SVBPBHIXSA-N 616.737 1.178 0 50 KDAA CCCNc1ncc(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)cn1 1772702062 QJXXGJNZNHPZRG-GDKKVTFASA-N 647.781 1.795 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2ccc3c(c2)OCO3)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713070 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O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc2)C(=O)N1 2325873059 XHLJJRFVVZMAGY-GOSISDBHSA-N 501.543 1.225 0 50 KDAA O=C1CC[C@H](N2Cc3cc(-n4cc(C(=O)Nc5ccc(N6CCCC6)cn5)nn4)ccc3C2=O)C(=O)N1 2325898690 UTVDXOBQXANETK-FQEVSTJZSA-N 500.519 1.276 0 50 KDAA O=C1CC[C@@H](N2Cc3c(cccc3S(=O)(=O)N3CCCN(C(=O)CCc4ccccc4)CC3)C2=O)C(=O)N1 2325899250 XIQHIKAQPVVLEJ-JOCHJYFZSA-N 538.626 1.303 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O 242688174 VJJPUSNTGOMMGY-BJIZMGJTSA-N 588.562 1.339 0 50 KDAA biogenic,in-vitro O=C(NC12C3[C@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2)NC12C3[C@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 252428221 UYGAOXYUDPSWIF-LOKBOWFSSA-N 566.246 1.047 0 50 KDAA C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@H]5[C@H]4C[C@H](O)[C@@]3(O)C2)[C@H](O)[C@@H](O)[C@@H]1O 257346911 DVTBKGKMSDFCAF-SUCXOWJRSA-N 536.662 1.427 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccc(-c3ncc[nH]3)s2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952862408 PDYGYVQWGDRUIK-MTQWNXOMSA-N 615.720 1.684 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@H]1CN(C(=O)Cc3csc(C)n3)C[C@H]1CC(=O)NCCN(C)C2=O 1616091279 BASNDJJPTYVOOR-UTKZUKDTSA-N 553.645 1.465 0 50 KDAA 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@]1(C)O 1772718375 MQTOSJVFKKJCRP-VHSHAGIMSA-N 748.996 1.901 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cnn(C)c3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857710645 ILPOXMUOPNMBSM-CFCGIFGPSA-N 685.742 1.845 0 50 KDAA Cn1c(=O)c2c(nc(SCc3nc(N)nc(N4CCOCC4)n3)n2Cc2cccc(Cl)c2)n(C)c1=O 53253484 NDEWIELILCNDPE-UHFFFAOYSA-N 530.014 1.032 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(=O)c2ccc3ccccc3c2O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253476094 YRCXXSRBHWKKJC-UDTOQWIQSA-N 517.487 1.358 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)NC(CO)CO)NC1=O 952865117 MXXQYFIFUDYQOU-OIFRRMEBSA-N 616.715 1.861 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2ccncc2Cl)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772703209 CMJNMESSYQNJAS-UKDVSSAZSA-N 638.125 1.872 0 50 KDAA Cc1nc(CN2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)n[nH]1 1857699571 UBOFNDLYKHLMRR-DQEYMECFSA-N 532.601 1.972 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)C2CCN(C(=O)N(C)C)CC2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704322585 JIDFBXIFRRLILX-LGXAAPQCSA-N 821.018 1.826 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3cccc4nccnc34)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713978 ZCEFNBYHDHIXBL-GLGRRZRYSA-N 737.814 1.290 0 50 KDAA COc1cc(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)cc2c1OCO2 1772818029 LTLASLZXCBNHLT-FPEPASNRSA-N 704.829 1.782 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CN2C(=O)CN(C)C2=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772818036 LYLLCMJDMAYLRF-DFBJGRDBSA-N 650.718 1.124 0 50 KDAA CC(=O)O[C@@H]1C(=O)[C@H]2[C@]34CO[C@@H](O)[C@@](C)([C@@H](OC(C)=O)C[C@@H]3O)[C@@H]4C[C@@H](O)[C@]2(C)[C@@]23O[C@H]2C[C@@H](c2ccoc2)[C@@]13C 257489644 NAHTXVIXCMUDLF-QZXIOVBVSA-N 574.623 1.466 0 50 KDAA CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@@H](OC)[C@H](O)[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)c5ccccc5)[C@@H]([C@H](OC)[C@H]23)[C@@H]14 605704737 PHASMOUKYDUAOZ-WBTXDEBISA-N 629.747 1.677 0 50 KDAA COc1cc(Cl)cc(CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c1OC 952856036 DIKHYHIAJDIUKV-LOSJGSFVSA-N 610.115 1.799 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ccc4c(c3)N(C)C(=O)CO4)CC2)Oc2ccc(cc2)OCCNC1=O 1772713760 RWECLAVJJBZLQE-QRQMUESOSA-N 740.814 1.341 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)c1c[nH]c(=O)cn1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533810 GKACZCFCJCOASD-QHCPKHFHSA-N 599.648 1.411 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 1467100 RPYOQSQAINUUEA-FNGUVFISSA-N 506.536 1.981 0 50 KDAA CN(C)c1nc(N)nc(CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(C(F)(F)F)c2)n1 12427899 KMKCADSNXHQOCN-UHFFFAOYSA-N 521.529 1.626 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)[C@H]1CCCO1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952856822 HJVRUWPPNNZBGN-AMOMVJEUSA-N 671.796 1.184 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)C2CCC2)C[C@@H](c2ccccc2)NC1=O 1704321975 JMTZMVIVIDBORX-XWXUZJLNSA-N 628.730 1.162 0 50 KDAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cn2cccnc2=O)CCNC(=O)c2csc1n2 1772713258 IESZLVKCEVOTIZ-VXKWHMMOSA-N 646.730 1.877 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(N(C)C)c2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714409 PESLRFSQOSUHJQ-KEPSJGTLSA-N 654.768 1.483 0 50 KDAA COCCN1CC(=O)NCCN(C(=O)c2cccc(S(C)(=O)=O)c2)CCC(=O)N(CCC(C)C)[C@H]2CCc3c(c(nn3C)C1=O)C2 1857740015 DUTUWOWIRSCVAX-DEOSSOPVSA-N 658.822 1.307 0 50 KDAA O=C(NCC[C@H]1CN(C(=O)C[C@@H]2OCCc3ccccc32)CCS1(=O)=O)c1ccc2oc(O)nc2n1 1875287306 DGKXCTKHELMXPV-JXFKEZNVSA-N 514.560 1.378 0 50 KDAA COc1ccc(S(=O)(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)cc1 23337611 OKZYGSKYPSKZBP-JOCHJYFZSA-N 516.664 1.791 0 50 KDAA CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](C2)C[C@H]2O[C@H]4C[C@H](C5=CC(=O)OC5)[C@]5(C)C(=O)[C@H](O)[C@@H]3[C@@H]2[C@]45O)O[C@@H](C)[C@@H]1O 257347187 XYPIGUUTGMMFPH-DMEPYPOQSA-N 562.656 1.276 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CCN(Cc1cc3c(cc1C)OCCO3)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952865562 RKBUPIYBUZKMIR-BTUWKKTJSA-N 741.846 1.827 0 50 KDAA Cn1cc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)ccc1=O 952868725 SACVCANEHNHIBO-FPOVZHCZSA-N 512.954 1.253 0 50 KDAA CC(C)Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cn3nn2)n(C)n1 952868915 VIYVKVNIWNDBJV-SFIUMABJSA-N 603.728 1.164 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cnn4ccn(C)c34)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322180 JZZFUOAWEXILEK-NVSKSXHLSA-N 650.781 1.041 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CCOC)CCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772701920 AWGXDMGTGXBWMN-IKXBOQRVSA-N 787.919 1.798 0 50 KDAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)CN1CCN(c3ncccn3)CC1)C2 1772706201 YHNCTOWHUVYCDK-HHHXNRCGSA-N 630.750 1.981 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cc(C(C)C)on2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714208 FVEVZSPVFWFFQD-WMTXJRDZSA-N 663.780 1.932 0 50 KDAA COCC[C@]1(C(=O)NCCC(C)C)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875240347 AYVLVIZNEVPXRV-HHHXNRCGSA-N 504.672 1.799 0 50 KDAA CC(C)OC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 64526913 TTZHDVOVKQGIBA-YBSJRAAASA-N 529.458 1.657 0 50 KDAA in-vitro CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)CC(N)=O 150484449 MOIJAHWAZFJXSM-VEXUSMLFSA-N 692.722 1.787 0 50 KDAA biogenic CO[C@@H]1CC(=O)O[C@@H](C)CC=CC=C[C@H](O)[C@@H](C)C[C@H](CCO)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H]1OC 936069315 CLLNLNUKYLQHCK-PZRZRJBSSA-N 717.894 1.293 0 50 KDAA CCOc1ccc(C(=O)N2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)cc1Cl 1616108392 REDGTRBDJUNVGN-GCJKJVERSA-N 568.034 1.445 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)CN2CCCC2=O)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704321181 FWXMVYJVALKWEM-MXSCXNJPSA-N 763.922 1.055 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C(C)(C)N3CCOCC3)C[C@@H]1NC(=O)CC2 1772705008 WBNRFMCVXPCSJY-IGKIAQTJSA-N 580.682 1.522 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(Cc3nnc(-c4ccccc4)o3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713649 NYQGZLSYKDYZHI-ALPFSRSFSA-N 739.830 1.757 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CN)CCCCNC2=O 1857699895 CKLUSVVCZGRVFG-HHHXNRCGSA-N 569.659 1.564 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4ccnnc4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100534209 YFQISLJVHXNQQJ-JQGGBATGSA-N 518.618 1.182 0 50 KDAA O=C1CC[C@@H](N2Cc3c(cccc3S(=O)(=O)N3CCC(Oc4cccc(F)c4)CC3)C2=O)C(=O)N1 2325899118 OQOFSRGPTFTNBU-HXUWFJFHSA-N 501.536 1.819 0 50 KDAA CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(N)=O 150357843 IVORLIHJCUSAQL-USNVFINLSA-N 899.151 1.908 0 50 KDAA CN1C(=O)N(C)C(=O)C(Cc2ccc(CC3(CN4C[C@H]5C[C@H](C4)c4cccc(=O)n4C5)C(=O)N(C)C(=O)N(C)C3=O)cc2)(CN2C[C@H]3C[C@H](C2)c2cccc(=O)n2C3)C1=O 150360544 QKUFYFUSJMGILO-SEVDZJIVSA-N 818.932 1.407 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2cccc3c2OCCO3)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714465 RWCPZJDVIWGMNY-LPPUWEFUSA-N 660.728 1.595 0 50 KDAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)[C@@H](C)N(c1ccccc1)S(C)(=O)=O)CCCNC2=O 1857706021 GSSOKRPQWCTNKS-GOSISDBHSA-N 532.619 1.007 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)c4n[nH]c(-n5cnnc5)n4)C3)CN1C(=O)CC2 2356139693 HUBLSRFEXKAQEF-WWNPGLIZSA-N 605.700 1.557 0 50 KDAA CC(C)CCCC(=O)N1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C 1704321960 JGKLIVXQUXUXOJ-SHQBLQIYSA-N 557.736 1.876 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)CCC2CCN(C)CC2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704323594 RLNOKRHRMQQWHL-FHYLVXSLSA-N 644.883 1.562 0 50 KDAA COC(=O)C[C@H](c1cccc(OCC(N)=O)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225420853 XXRCARONACBUIN-ZWCUEREDSA-N 549.580 1.686 0 50 KDAA biogenic CN1CCNC(=O)C[C@@H]2CN(C(=O)CCc3ccccc3Cl)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1616091607 JBKCYBLFBZGXTJ-XXBNENTESA-N 552.035 1.366 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(Cc2ccccn2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704322970 QZEMDIKMYRXGGJ-DSBYRVASSA-N 536.677 1.119 0 50 KDAA O=C(N=c1ccn(-c2ncccc2F)[nH]1)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1875358638 CXGTVBCNYYPGJP-UHFFFAOYSA-N 522.928 1.315 0 50 KDAA Cc1cc(/C(=C2\C=CC(=N)C(S(=O)(=O)O)=C2)c2ccc(N)c(S(=O)(=O)O)c2)cc(S(=O)(=O)O)c1N 4366763 WWVJUCNOSUHCFP-XYARLGNMSA-N 541.585 1.816 0 50 KDAA CCOC(=O)N1CCN(C(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)CC1 33355641 HVNGKQZTLMQINJ-QFIPXVFZSA-N 550.659 1.051 0 50 KDAA CC(=O)O[C@@H]1[C@@H](O)CO[C@@H](O[C@H]2CC[C@]3(C)[C@H]([C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C[C@H]4[C@H]3CC[C@@]3(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@H](O)C[C@]43C)C2(C)C)[C@@H]1O 253610342 SGWGNFPPYZHYQH-WUHXBYNDSA-N 829.034 1.541 0 50 KDAA CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@H](c4ccc(OC)cc4)O[C@@H]23)N(C)C1 257356368 HQUXWIVLQUDOFM-YUYWMOIJSA-N 524.680 1.913 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1cscn1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772702432 VZKSXSVRZMRRSH-OSADXMDESA-N 651.794 1.141 0 50 KDAA COc1ccc(CC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)c(OC)c1 1772704982 VZCYGNLYBAXTSR-ZDQHWEPJSA-N 729.831 1.932 0 50 KDAA CCCNC[C@]1(O)[C@H](C)O[C@H](O[C@@H]2[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](O)[C@H](C)NC[C@H](C)C[C@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@H]2C)C[C@@]1(C)OC 247875718 GUARTUJKFNAVIK-NRRAZTGFSA-N 806.092 1.928 0 50 KDAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CCO)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321812 FZSWBXPFYVYMJP-LVLVAWRASA-N 761.921 1.332 0 50 KDAA CC(C)Cc1cc(C(=O)N2CCCNC(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]2C)no1 1704323401 VFCHFYUKCXHWOS-QURRFSBHSA-N 596.729 1.550 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)COCc2ccccc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713968 YUZLFAFSBSQTIR-BXTSTYNKSA-N 674.803 1.723 0 50 KDAA C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@H]1O 1848443865 WPVGSIBYLZQSIK-FPZZYBKLSA-N 536.662 1.429 0 50 KDAA COC(=O)CCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C 4557167 CMEUDEVBFFPSEI-MNAQSEKASA-N 627.695 1.134 0 50 KDAA CC(=O)O[C@@]12CO[C@@H]1C[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C 253387922 ORKLEZFXASNLFJ-DYLQFHMVSA-N 943.996 1.628 0 50 KDAA biogenic,in-vitro COc1c(F)cccc1C(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cn2nn1 952864767 PDFIHSQIIOPEIV-PQVVKJAFSA-N 591.644 1.380 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cn3ccccc3n2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704321336 JKJYBEDBKZNDEX-JGCJWDMBSA-N 711.820 1.306 0 50 KDAA Cn1c(=O)c2c(nc(N3CCN(c4ccccn4)CC3)n2Cc2cccc(Br)c2)n(C)c1=O 9057743 IHTYKQQHUWPZNJ-UHFFFAOYSA-N 510.396 1.966 0 50 KDAA CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@@H]1C[C@H]1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C 263616651 JXTPXZSBXACXHS-RTBURBONSA-N 520.545 1.948 0 50 KDAA in-vitro CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)c2cn3cccnc3n2)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772713241 DNNRCWWGBDHIAD-BJXGRRSKSA-N 708.820 1.875 0 50 KDAA O=C1CN(C(=O)c2cnc3cccnn23)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1875241495 AUQTWMFSXNUQMS-VWLOTQADSA-N 622.690 1.527 0 50 KDAA COc1ccc(C(=O)CS[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)cc1 253407655 KAKDNUNNVBXBEL-ZQGJOIPISA-N 512.533 1.694 0 50 KDAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324055 VNLJKXQDMVYLMR-KZNIJNHCSA-N 675.791 1.031 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cccc3c2CCC3=O)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713385 IMDAWXSAKOTYNP-SXDGJLEOSA-N 684.798 1.949 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCc2cc(Cl)no2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857700108 NALXXIFVDJUVMR-LQGLAIQGSA-N 679.134 1.110 0 50 KDAA Cn1cc(-c2ccc3oc(C(=O)N[C@H]4CCCN(CC(=O)Nc5ccc(S(N)(=O)=O)cc5)C4)cc3c2)nn1 2325899474 GCHDDIVIENHOHZ-IBGZPJMESA-N 537.602 1.709 0 50 KDAA CC[C@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(CSc3nnnn3C)CS[C@@H]12)n1nc(C)c(Cl)c1C 226393561 NXNMTXPUPIYCKG-NDGTYSDOSA-N 527.032 1.159 0 50 KDAA COc1ccc(CC(=O)N2C[C@@H]3C[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cn3nn2)cc1 952864317 OJFWYBMBCMISOW-IWEUKVTLSA-N 587.681 1.170 0 50 KDAA Cn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCc1ccccc1)C(=O)CCCN(Cc1cccnc1)CCNC2=O 1857726349 MWKUVIYMISNACI-VWLOTQADSA-N 557.699 1.886 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162104 XRQSXZRRCXENQH-XCZPVHLTSA-N 638.699 1.810 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713177 BUWTVNUPMZROKL-RHSFRCAUSA-N 770.869 1.260 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(Cc3cscn3)CCCC1=O)C2 1875240093 HYGSFPYTYNKYAJ-FQEVSTJZSA-N 529.711 1.703 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)Cn3nc(C)c(C(C)=O)c3C)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162454 KHZXRTAMSRAPCX-BDYUSTAISA-N 605.648 1.817 0 50 KDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(CCO)CC1)n2C[C@H](O)COc1c(Br)cc(Br)cc1Br 5356707 KCBYNSRFYWCWTI-ZDUSSCGKSA-N 681.180 1.265 0 50 KDAA CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(C)cc1OCCOc1cc(C)ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O 150350753 HEOJVQZWOLQUDR-UHFFFAOYSA-N 792.744 1.629 0 50 KDAA COc1cccc2c1OCc1cn(nn1)CCOc1cccnc1C(=O)N1CCOC3(CCN(CC3)C2=O)C1 1704322051 FVFQUBPWJKPJPD-UHFFFAOYSA-N 534.573 1.801 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2cccnc2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704323015 NMQJAVGBJNGAQG-OKJKUSBXSA-N 596.754 1.148 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704324052 VKVQVEQHNUTPGX-HNDHFVMESA-N 770.932 1.295 0 50 KDAA CCC(=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 1704339483 IMKBSMNVBSOYLY-RZHCBQKESA-N 634.778 1.316 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)CCc3nc4ccccc4[nH]c3=O)CN2C(=O)[C@@H](NC(=O)Cc2cccc(C(F)(F)F)c2)CCCCN1 1857705869 YZIXULWCSLLGSO-DRBLOIPVSA-N 755.751 1.337 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3ccc4nnc(-c5cccn5C)n4c3)CCCC1=O)C2 1857724328 VQWUDEVCGSDZSY-DEOSSOPVSA-N 656.792 1.935 0 50 KDAA CN(CCCC(=O)O)S(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N(C)CCCC(=O)O)ccc1-2 2058674 SXMAWMKNLRRHKA-UHFFFAOYSA-N 538.600 1.869 0 50 KDAA Cc1cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc2oc(=O)ccc12 150344274 RBKHOTLLIQRMRT-SDHOMARFSA-N 665.748 1.401 0 50 KDAA CN1CC(=O)N[C@@H]2CN(C(=O)CN3CCOCC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616092276 SJQWGBSEJTUYCT-SXOMAYOGSA-N 550.656 1.818 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@H]2CCC(=O)N2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775982322 ORAQPFNTJIACFG-IMWIBFENSA-N 607.693 1.509 0 50 KDAA COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(Cc2nc[nH]n2)CC1 2325842804 JBFQOLLMSGWUJN-NRFANRHFSA-N 541.634 1.006 0 50 KDAA CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@@]312 67903631 NAHTXVIXCMUDLF-INZMSCSESA-N 574.623 1.466 0 50 KDAA biogenic,in-vitro CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)C(C)C)CCNC1=O 952864338 OWCRZFCZLJORMJ-ZOSUSCCZSA-N 634.178 1.568 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccc3c(c2)CCO3)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772817275 ATYAXRMDQHXNLO-QHWMMSMNSA-N 672.787 1.755 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)CCOC)CCNC(=O)COc2cc(ccc2OC)C1 1775981823 IVNPUNIENWBFDR-LJAQVGFWSA-N 561.676 1.857 0 50 KDAA CC(=O)OC[C@H]1O[C@H](Oc2ccccc2-c2n[nH]c(C)n2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857524640 RWNFLHGSTOGXTJ-YBNCXLCVSA-N 505.480 1.242 0 50 KDAA COc1ccc2c(C)c(C(=O)N3CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c4ccc(C)c(c4)OCCNC(=O)C3)oc2c1 1857739935 AASLZSDRPVLMET-CJAUYULYSA-N 566.611 1.305 0 50 KDAA CC(C)[C@H](NC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1nc(-c2nc[nH]n2)no1 1875353163 LODFARBENZMQMB-KRWDZBQOSA-N 502.495 1.164 0 50 KDAA O=C(CNS(=O)(=O)c1ccccc1)NCC(=O)OCc1ccc(S(=O)(=O)Cc2ccccc2)cc1 16383133 HFNSEWQNSYQDGD-UHFFFAOYSA-N 516.597 1.798 0 50 KDAA Cc1cc(Cl)c(S(=O)(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2F)cc1OCC(N)=O 17376787 BGPTWGLENOSIGH-UHFFFAOYSA-N 521.976 1.473 0 50 KDAA COC(=O)C[C@@H](c1ccc(OC)c(OCC(N)=O)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225416260 YWQSVDOSVIYZLD-LMNJBCLMSA-N 579.606 1.694 0 50 KDAA biogenic CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccccc2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704330856 HLKWUIQRRZZMPQ-DSBYRVASSA-N 549.672 1.364 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H]3COCCN3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714475 SHKHRYGNWZLSBX-RMCHDDMJSA-N 748.922 1.447 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2-c2n[nH]c(C)n2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857524639 RWNFLHGSTOGXTJ-HVJVJISESA-N 505.480 1.242 0 50 KDAA CN(C)S(=O)(=O)c1cc(NCc2ccc3nsnc3c2)cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 14740915 YAPZRAPFYQLGLT-OAHLLOKOSA-N 502.622 1.891 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@H]2OC(C)=O)[C@@]4(C)O 257520562 QFIYSPKZWOALMZ-NIKYPMNJSA-N 857.815 1.750 0 50 KDAA biogenic Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CCn3cnnn3)C[C@@H]1NC(=O)CN(C)C2=O 952858204 YZIMRJBAEDAZAR-XZOQPEGZSA-N 533.589 1.552 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2cnn(-c3ccccc3)c2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952865786 SWNSMYOQQJPGQM-KQHSXCACSA-N 657.772 1.287 0 50 KDAA COc1cc(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)cc(Cl)c1OCC(N)=O 1772713334 HOGZQLFAYOFRGR-SACAOSOOSA-N 726.231 1.709 0 50 KDAA COC(=O)[C@@H](O)[C@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)C[C@@]45O[C@H]4C(=O)[C@]1(C)C[C@]2(O)[C@@H]4[C@@]35O 1772820146 HOUJKWFMLMSPNW-HOMMCNRKSA-N 516.543 1.063 0 50 KDAA O=C1CC[C@H](N2Cc3c(cccc3S(=O)(=O)N3CCN(C(=O)OCc4ccccc4)CC3)C2=O)C(=O)N1 2325899219 VFZTYPYDYUXQKO-FQEVSTJZSA-N 526.571 1.091 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C1CCCCC1)NC2=O 952868930 CEGSSZBUESPEDV-VPMCBBNJSA-N 661.760 1.267 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713322 JMDHSEWVTQSWGX-BYHUXTOYSA-N 774.275 1.368 0 50 KDAA CN(c1ccc(C(=O)N2[C@H]3CC[C@@H]2CNC(=O)c2cc(F)ccc2OCCNC(=O)C3)cc1)S(C)(=O)=O 1875240100 IDHUQBCIKWJZON-VQTJNVASSA-N 532.594 1.523 0 50 KDAA Cc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCCCN(C(=O)C4CCOCC4)CCNC(=O)[C@H]3C2)on1 2100533076 YLZWDIUPGCPUBR-PKTZIBPZSA-N 510.591 1.993 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3ccc[nH]3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356161517 YEPZHRDNCYVEFF-UPVQGACJSA-N 520.542 1.743 0 50 KDAA CCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](CCC)N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245295360 DJSIYJKKISUKBH-SYEAHBAZSA-N 576.694 1.609 0 50 KDAA CCCNC[C@]1(O)[C@H](C)O[C@H](O[C@@H]2[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](O)[C@H](C)NC[C@H](C)C[C@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@@H]2C)C[C@@]1(C)OC 247875719 GUARTUJKFNAVIK-OMAIZKLXSA-N 806.092 1.928 0 50 KDAA biogenic COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]23C)[C@@H](O)[C@H](O)[C@H]1O 257348788 IVTQNSRENYRSBR-BKVXMBLXSA-N 524.651 1.573 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2ccc(cc2)OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952863951 FDGOUIANCZYHHC-JWQCQUIFSA-N 518.618 1.788 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3ccncc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704317438 JLAXBNATDAXNCL-LBNPDIFZSA-N 622.767 1.938 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 1704317994 MLEKLCFQHCMFCU-LVVLYVGBSA-N 705.853 1.650 0 50 KDAA COc1cc(CN2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC2)cc2c1OCO2 1704322017 BSJXGXHAMBJSEG-NUJSINJASA-N 623.751 1.899 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)Cn2c(C)cc(C)nc2=O)CCNC(=O)COc2cc(ccc2OC)C1 1857707041 XFVWOAITCTVKFZ-XIFFEERXSA-N 639.750 1.695 0 50 KDAA COCC(=O)N1C[C@@H]2c3cccc(c3)OCCCCN(C(=O)c3ccc4nc[nH]c4c3)CC(=O)N[C@H]2C1 2356135112 PWRWMRDDHIXTMK-QPPBQGQZSA-N 505.575 1.935 0 50 KDAA CN(c1cccc(NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O 59586847 XUOSFFKIPABSKE-DEOSSOPVSA-N 592.721 1.785 0 50 KDAA 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](O)[C@]1(C)O 97943152 ULGZDMOVFRHVEP-IKVRMWQZSA-N 733.937 1.786 0 50 KDAA CCN1C[C@@]2(COC)[C@H](O)C[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 253387905 LLEMSCWAKNQHHA-DCHUTUGESA-N 659.773 1.686 0 50 KDAA biogenic Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1ccc3c(c1)OCC(=O)N3)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714344 MMTMGVARLRRPTN-RDANPGJMSA-N 715.812 1.015 0 50 KDAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)CN1CCN(c2ncccn2)CC1)CCNC3=O 1775979826 NHQMONJJKHWLTG-CPBHLAHYSA-N 779.947 1.158 0 50 KDAA O=C1NCCN(C(=O)Cn2nc3ccccc3n2)CCCOc2cccc(c2)[C@H]2CN(C(=O)C3CCOCC3)C[C@H]12 1875241207 QOPKXANGFVQKTA-RPBOFIJWSA-N 560.655 1.827 0 50 KDAA O=C1CN(CC2CC2)C(=O)[C@H](Cc2cnc[nH]2)NC(=O)COc2cccc(c2)[C@H]2CN(C(=O)c3ccccn3)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)N1 1704317299 INZNRHFNHCPLNG-ZQTBNDFDSA-N 718.815 1.615 0 50 KDAA Cc1cnc2c(C(=O)N3CCC4(CC3)Oc3ccc(cc3)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC4=O)cnn2c1 1772714111 AUBJOWRXEMBHNU-QRQMUESOSA-N 710.792 1.337 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cc(=O)n(C)c(=O)n1C)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc1-2 1857726362 NNQNFUIHJQOJIU-UHFFFAOYSA-N 586.649 1.812 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(Cc1c(C)nn(-c3ccccc3)c1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1857740873 QOUYEDWWXCOKIC-DFHRPNOPSA-N 562.671 1.404 0 50 KDAA CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2C)cc1 101248779 GRPVFOOPMCDBQU-NRFANRHFSA-N 537.476 1.481 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)C(C)C)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713693 OSDTYVRUPSBSTK-WBWMCNGVSA-N 610.760 1.027 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc(N3CCOCC3)no2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980730 IRGOIAYCHBRUEG-KMRXNPHXSA-N 652.753 1.660 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 248005102 GDZJPAKEKJDVRZ-BTMIILLNSA-N 564.617 1.451 0 50 KDAA 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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)[C@@H]1OC(C)=O 585672871 KXHCYYSIAXMSPA-HLRTVTAFSA-N 869.055 1.866 0 50 KDAA biogenic COc1cc(OC)cc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cn3nn2)c1 952864659 KWNWYOBHVLCLOR-MKKUMYSQSA-N 603.680 1.249 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)[C@H]3CC[C@@H](O)CC3)C[C@@H]1NC2=O 1704318669 PKHVRKCTSGAAET-GPYREICYSA-N 523.586 1.643 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccccc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772705240 QOFZYCLWEXCPMI-PPJWLVRDSA-N 630.750 1.820 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)CN2CCCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772714478 SNDMRPGRHLMUSH-YSJNHPSYSA-N 745.922 1.923 0 50 KDAA Cn1cnc(S(=O)(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)c1 2356136357 RAJHCNIYDCRIBS-JVFUWBCBSA-N 512.636 1.047 0 50 KDAA CN(C)S(=O)(=O)c1cc(NCc2ccc3c(c2)OCCO3)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 14533315 CQKVAVISALDPQJ-KRWDZBQOSA-N 502.593 1.658 0 50 KDAA CC(=O)CSc1nc(=O)c(C(c2ccc3c(c2)OCO3)c2c(N)[nH]c(SCC(C)=O)nc2=O)c(N)[nH]1 221273828 ZVBNAZTVLXTOQN-UHFFFAOYSA-N 530.588 1.289 0 50 KDAA C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@H]3CC[C@@]3(C)[C@@H]4C[C@H]4O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]43)C2)[C@H](O)[C@H](O)[C@H]1O 253505441 KFYOFJUUTSALEH-DPBHOTALSA-N 871.071 1.322 0 50 KDAA 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[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)cc1 238758694 TVBJKPLTBPGHDJ-ZJTKNEERSA-N 660.669 1.447 0 50 KDAA biogenic,in-vitro C[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O 252346935 KISYRRMFQYIIFQ-QUGDUBMASA-N 536.662 1.573 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccncc2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704317950 LKQLAZXEVZGCKW-AQSCLIQHSA-N 683.810 1.615 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(Cc2ccccc2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704321346 JXMXYXSBLQYTFB-PWMMPXSUSA-N 535.689 1.724 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3ccc4c(c3)OCCO4)C[C@@H]1CC(=O)NCCN(C)C2=O 1704323404 VHOFTCRXTRRWBV-SIKLNZKXSA-N 576.610 1.542 0 50 KDAA COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C(=O)c4ccc(C)cc4C3=O)CC2)c1 1875255688 ZVWWTLUVGYKZMC-AWEZNQCLSA-N 505.574 1.361 0 50 KDAA CN(CCc1ccccc1F)C(=O)c1cccc(S(=O)(=O)NCc2cn(Cc3nc(C(=O)O)co3)nn2)c1 1875324529 BWZWLDSAJVJEEK-UHFFFAOYSA-N 542.549 1.945 0 50 KDAA CNC(=O)c1ccc(N2CCN(C(=O)c3ccc(S(N)(=O)=O)c(Br)c3)CC2)c2cc[nH]c12 2325899661 QDHKIQCODPYACH-UHFFFAOYSA-N 520.409 1.900 0 50 KDAA C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@@]45C)[C@@]3(C)CO)O[C@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 2332922364 IBZLICPLPYSFNZ-XFYZGIBOSA-N 913.108 1.344 0 50 KDAA COC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)N[C@@H](c2ccc(OC)c(OC)c2)[C@H](C(=O)OC)S1(=O)=O 19228761 CLYIEKBYARYVNJ-MYGLTJDJSA-N 523.560 1.605 0 50 KDAA COc1ccc(-c2cc(CO[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)on2)cc1 253528738 RSFOBATZWJSMJB-ARXROMJUSA-N 535.502 1.950 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN3CCN(c4ncccn4)CC3)C[C@@H]1NC(=O)CN(C)C2=O 952857793 UWTWAXKJEROQOH-XCZPVHLTSA-N 599.692 1.697 0 50 KDAA Cc1ncc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)[nH]1 952862715 KVRFRIGQRINBIF-BHDXBOSCSA-N 669.787 1.614 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccccn1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952864664 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COc1cc(N2C(=O)N[C@H](CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)C2=O)cc(OC)c1OC 888089156 LSNVPVBFLLTPQS-CYGHRXIMSA-N 500.552 1.387 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN3CCCN(C)CC3)C[C@@H]1NC(=O)CN(C)C2=O 952863770 YJOAVVGHQRMNIZ-BDYUSTAISA-N 549.672 1.723 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cncc(F)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321826 AWDVCQDZERYTND-XMMPIXPASA-N 538.580 1.885 0 50 KDAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](O)[C@@H](O)[C@H]1O 1775964707 IQPQUCSPCDSVLE-BOOCPMMPSA-N 629.615 1.874 0 50 KDAA COc1ccccc1-n1cc(C(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]3C[C@@H](NC(=O)/C=C/c4ccccc4)CN3C2=O)cn1 1857702338 JMJBVHUKGYGVHL-PAHJZKGISA-N 699.765 1.428 0 50 KDAA COc1ccc2c(C)c(C(=O)N3C[C@H]4CNC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@@H](Cc5ccccc5)NC(=O)[C@@H](C3)O4)oc2c1OC 1857711463 BCFLSMAYFVIECR-REEOSCTQSA-N 691.782 1.815 0 50 KDAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(CC(N)=O)c5ccccc54)c(=O)n32)cc1 2668388 FBOMOYNEXVZCDT-UGUGFTGJSA-N 546.605 1.398 0 50 KDAA Cc1ccc(C(=O)N[C@H]2CCCNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1NC(=O)C1CCC1 1704338455 BEMUHXQRQTXRBH-IMMGOVBZSA-N 773.932 1.467 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1ccc[nH]1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740878 QSUOTQOZWFVFHW-SQJMNOBHSA-N 648.717 1.035 0 50 KDAA CC[C@@]1(c2ccc(NC(=O)COc3cccc4c3C(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)cc2)CCC(=O)NC1=O 2325899082 MOFQSZUZPOZUEK-WRHNGFHOSA-N 546.536 1.190 0 50 KDAA 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](NC)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 257358383 TXOOBKBDBNRQCF-QLPDZBFASA-N 719.910 1.443 0 50 KDAA Cc1ccccc1-c1noc(CCC(=O)N2C[C@H]3CC(=O)N(C)CCNC(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)n1 1616070551 PFQMIFZJFSMUFD-YKSBVNFPSA-N 599.652 1.071 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2-c2nc[nH]n2)Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C1=O 1772714307 KKTXFTIUCTWNNE-OZBXUNDUSA-N 658.760 1.348 0 50 KDAA CCc1nccc(CN2CC(=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)n1 1704321683 VJHSVKZWOOHJDN-CSZVXOJQSA-N 623.799 1.767 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](N2C(=O)c3ccccc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 100228342 IGFIZKQUCIBNKG-QSZPGENFSA-N 511.483 1.882 0 50 KDAA in-vitro C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 118912752 URJQSMIFSMHWSP-RNSXJOKOSA-N 572.765 1.484 0 50 KDAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)CN3CCOC3=O)C[C@@H]2N1 952864820 QSEFYHIEGZOESH-SVBPBHIXSA-N 594.665 1.691 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1615706472 NBWMMOHPLLWWEB-XXBNENTESA-N 552.035 1.366 0 50 KDAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2ccncc2)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857688777 XFVKEDDBCOGCCE-AMGIVPHBSA-N 698.781 1.903 0 50 KDAA COCCC[C@@]1(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705419 GSUXHTMELDDDOI-UMSFTDKQSA-N 641.729 1.875 0 50 KDAA CC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@H]1OC(C)=O 22066501 SXOZSDJHGMAEGZ-RSAVVKAZSA-N 516.455 1.925 0 50 KDAA endogenous,in-man CSCC[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@H](CCSC)C(=O)O)ccc1-2)C(=O)O 100654496 KRCGEPCCYIGZNQ-WOJBJXKFSA-N 602.734 1.867 0 50 KDAA CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)C[C@@H](O)[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 255228480 LTJZMSTVPKBWKB-HGZKDYFJSA-N 801.024 1.120 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(Cc2nccs2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772700574 GWAOSNMTPWYLDR-UEVCKROQSA-N 595.726 1.640 0 50 KDAA Cc1nsnc1C(=O)N1CCc2c3ncn2CC(=O)NCCN(C(=O)Cc2ccc4c(c2)OCO4)CC(=O)NCCCOc2cccc(c2)[C@H]31 1800430318 LKVGHOVWMRDWCI-MGBGTMOVSA-N 700.778 1.646 0 50 KDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2S(=O)(=O)c1ccc2c(c1)OCCCO2 1857708504 XMCIVMILKGWBBV-ZWKOTPCHSA-N 533.578 1.837 0 50 KDAA CC(C)CC(=O)N1CCCC(=O)N(CC(C)C)CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCC1)C2 1857724577 IJHNMOZJQLXOTB-FQEVSTJZSA-N 516.687 1.619 0 50 KDAA Cc1nc(C(=O)N2CCCC(=O)N(CCCO)CC(=O)N[C@H]3CCc4c(c(nn4CCC(C)C)C(=O)NCC2)C3)co1 2100533447 PKPLTVABVWAWFO-NRFANRHFSA-N 585.706 1.076 0 50 KDAA Cn1ccc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)cc1=O 2356139450 YACDQOKWQJCVNJ-IKSSWHGMSA-N 503.603 1.464 0 50 KDAA C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C 253504596 CQGUDVRRZKLXFR-KVKQYOGKSA-N 756.971 1.203 0 50 KDAA C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 253504934 GHUUTEXYFBCKSM-UFSJQMSVSA-N 738.912 1.361 0 50 KDAA CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@H]1[C@@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)cc1 575448143 LLEMSCWAKNQHHA-YGBYIXMISA-N 659.773 1.686 0 50 KDAA in-vitro 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@H](C)[C@H](O)[C@]1(C)O 613824033 HRKNNHYKWGYTEN-SPMCJAJPSA-N 734.969 1.559 0 50 KDAA in-vitro CCCC[C@@H]1NC(=O)c2ccc(OC)c(c2)OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952861887 IRSZNVSSZPUMHI-ULKKMRMTSA-N 649.749 1.267 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CO)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775984196 JRDLNKGKPWVOKD-JTSKRJEESA-N 554.629 1.223 0 50 KDAA 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CCOC(=O)[C@H]1CCCN([C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](N5CCC[C@@H](C(=O)OCC)C5)C4=O)cc3)C2=O)C1 17356817 LGOAXZLLIJEMGB-GKIBHXGMSA-N 582.654 1.501 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 248113089 YTBVPOCZQCDXAS-BTMIILLNSA-N 564.617 1.451 0 50 KDAA CSCC[C@@H]1NC(=O)c2ccc(C)c(c2)OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952861645 GLAPITPIQPJSNY-XZOQPEGZSA-N 536.658 1.874 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)Cc2cccnc2)CCNC1=O 952861916 GMYCBLUTWNVLLL-MBBMMDPKSA-N 683.210 1.549 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1704318103 OBVIIQURUGPREF-IKTSXZLFSA-N 738.846 1.126 0 50 KDAA Cc1ccc2c(C(=O)N3CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc4ccccc4)C(=O)N[C@@H](C(C)C)c4nc(C)nn4CC(=O)NCC3)cnn2c1 1772713475 MVWXPQVIRMXECP-PHALFPIFSA-N 698.829 1.641 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)C2CCC2)CCNC(=O)COc2cccc(c2)C1 1775980918 LDSHWPHWUSHVQX-MHZLTWQESA-N 517.623 1.459 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)[C@@H](C)O)CCCCNC2=O 1857699117 OPYQNMKVQZNCNY-XHCCPWGMSA-N 584.670 1.986 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1nnc3n1CCCCC3)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857712107 REICWACUCNEPNT-JYFHCDHNSA-N 718.812 1.025 0 50 KDAA Cn1c(=O)c2c(nc(SCc3nc(N)nc(N4CCCCC4)n3)n2Cc2ccccc2F)n(C)c1=O 12427902 DUFOHDUIIOURJT-UHFFFAOYSA-N 511.587 1.671 0 50 KDAA O=C1N[C@H]2CN(C(=O)CCCOCc3ccccc3)C[C@@H]2OCc2cn(nn2)CCOc2cccnc21 952863091 BILWVSFOZAMKAZ-GMAHTHKFSA-N 506.563 1.589 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2cccnc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704321903 HSXVYNWXQLQLJV-XZQSQWLPSA-N 676.844 1.676 0 50 KDAA CCCC[C@@H]1NC(=O)c2cc(OC)ccc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704323223 CSQSMOHNYFPWHO-VCPHKXHJSA-N 649.749 1.267 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)CCc3ccc(F)cc3)CN2C(=O)[C@@H](NC(=O)c2ccc3ncccc3c2)CCCCN1 1857673526 VEFBRJNSHZWYGI-ZIZDPRJYSA-N 674.730 1.841 0 50 KDAA CC[C@]1(c2ccc(NC(=O)COc3cccc4c3C(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)cc2)CCC(=O)NC1=O 2325899081 MOFQSZUZPOZUEK-KWMCUTETSA-N 546.536 1.190 0 50 KDAA Cc1noc(C)c1S(=O)(=O)N1CCCNC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CCC1)c1ccccc13 2356138764 HUNWIOPEZOEBBS-HEKZAOSPSA-N 527.647 1.919 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@H]1NC(=O)CN(C)C2=O 1616118719 VKJFBVJQGDMVQV-RPWUZVMVSA-N 575.622 1.746 0 50 KDAA COCCN1CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCCCN(C(=O)CCn3cnc4ccccc43)CCCC1=O)C2 1875241950 HWQOATNBXSYPDT-QFIPXVFZSA-N 606.728 1.051 0 50 KDAA O=C1CC[C@H](N2Cc3ccc(-n4cc(C(=O)Nc5ccc(CCN6CCOCC6)cc5)nn4)cc3C2=O)C(=O)N1 2325898536 JHJCOCPILQKZGA-DEOSSOPVSA-N 543.584 1.155 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H](Cc2ccccc2)NC1=O 1704322781 OHNMGIIUEMSQFC-IIAABYCGSA-N 619.719 1.278 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)CCc2nc3ccccc3s2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704322985 RPCBLCZBNIAXGN-VLSBVBGBSA-N 720.893 1.811 0 50 KDAA CC(=O)OC[C@H]1O[C@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857525503 ZBYDOGVAOZEPSJ-OXCVBPRPSA-N 532.498 1.744 0 50 KDAA 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@@]1(C)O 169640814 MQTOSJVFKKJCRP-SAEDAXQJSA-N 748.996 1.901 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O 169646768 QFIYSPKZWOALMZ-GTVWHPQGSA-N 857.815 1.750 0 50 KDAA biogenic,in-vitro C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@@]12CC[C@@H](C)CO2 253506286 SKHJNNFXCKTDBG-UBRHHPPGSA-N 708.886 2.000 0 50 KDAA biogenic CSCC(=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 1704322035 DBLDNSUXLMOJJV-OUIFVKKZSA-N 726.926 1.796 0 50 KDAA CC(=O)c1ccc(NC(=O)CSc2nnc(NC(=O)CSc3nnc4n(N)cnn34)s2)cc1 8854435 BAQJYOBUBBYVCL-UHFFFAOYSA-N 504.583 1.155 0 50 KDAA CCOc1ccc(CCNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1 9963099 UJUDJSGMQGSHCR-UHFFFAOYSA-N 503.577 1.191 0 50 KDAA NS(=O)(=O)c1ccc(CCNC(=O)CSc2nc3ccccc3c(=O)n2CCC(=O)N2CCCCC2)cc1 17356929 UJIDBCUYCUAUSA-UHFFFAOYSA-N 557.698 1.898 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2n[nH]c3c2CCC3)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952870209 XTHHHXXWIYJELD-CQTOTRCISA-N 695.825 1.794 0 50 KDAA CCCn1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3cc(on3)C2)c(C)n1 1772714253 HPVIDTQWRITOEA-NSQMQTOTSA-N 682.782 1.935 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ccncc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772714313 KUWANVHMJLVIHN-MOMDTQCHSA-N 656.740 1.381 0 50 KDAA O=C(NCC[C@@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCS1(=O)=O)c1ccc2oc(O)nc2n1 1875287308 DGKXCTKHELMXPV-OXQOHEQNSA-N 514.560 1.378 0 50 KDAA CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 1350726964 OLWZMHHMCMSOQU-YDPTYEFTSA-N 833.008 1.139 0 50 KDAA CCc1nccn1CCC(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC1=O 1704321675 VAFKQXYNMMRALT-CGKOIOKPSA-N 717.868 1.194 0 50 KDAA 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]c4c3CN(C)CC4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322844 PEMGMNOOPFSLIV-YFZVMGGLSA-N 853.038 1.975 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C(C)(C)OC)C[C@@H]1NC(=O)CC2 1772713802 SPZIYJWABRNTEL-URXFXBBRSA-N 525.602 1.836 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(Cc1nccs1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714213 FXYPAFNHDXEZIZ-YBZFOXLFSA-N 637.811 1.501 0 50 KDAA Cc1[nH]c2c(C)ccc(C)c2c1CC(=O)N[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)Cc3ccc4c(c3)OCO4)C(=O)N2C1 1857706739 OZXFSTGIVKOSBS-DALQOBCZSA-N 730.819 1.827 0 50 KDAA Cn1cc(CN2CCCC(=O)NCCNc3ccnc(c3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC2)cn1 1857724134 NHNRIDWQSXKVEB-VWLOTQADSA-N 532.649 1.097 0 50 KDAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N2C[C@H]3C[C@H](CN(C(=O)c4cc(-n5cnnn5)n[nH]4)C3)[C@@H]2CCCC(=O)N1 1857739815 UGEUWXBNHDXGRB-JRHPMUGDSA-N 525.658 1.806 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)c1cc(C)on1)CC(=O)N[C@H]1CN(C(=O)Cc3cccnc3)C[C@H]21 2100534010 PKJYZAXHENPRME-GGAORHGYSA-N 533.585 1.965 0 50 KDAA CCn1ccc(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)cc1=O 1772703708 PPPFXJRHCNHXMQ-PPJWLVRDSA-N 675.791 1.002 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(Cc3ccccc3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713984 WALAJNHGVJAWRB-MAOWDPDTSA-N 671.795 1.707 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)c2cncn2C)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772714415 PLVBOXOWGNAAST-XKSVLSLFSA-N 671.799 1.566 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)OC)cc3)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 1467098 RPYOQSQAINUUEA-CNSVBDKNSA-N 506.536 1.981 0 50 KDAA COc1cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2)cc2ccccc12 4536155 KZPIYKPHCXHBIA-HSZRJFAPSA-N 577.642 1.578 0 50 KDAA COc1ccccc1OCc1ccc(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(COC(C)=O)CS[C@H]23)o1 8927993 UDGMJBJYYCCPGT-PGRDOPGGSA-N 502.501 1.783 0 50 KDAA CC[C@H](C)C(=O)O[C@H]1[C@H](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](C[C@@H](OC(C)=O)[C@@H]3[C@]12O)[C@@]4(C)CC[C@H]5OC(=O)[C@](C)(O)[C@@H](C)OC(C)=O 253487419 KBGNYIWYDYVUFP-ANTOXFLDSA-N 793.948 1.607 0 50 KDAA C[C@@H]1Cc2cccc3c(O)c(C(=O)Nc4cc(Cl)c(S(N)(=O)=O)cc4S(N)(=O)=O)c(=O)n1c23 299738210 JVHYXSIAONATCN-MRVPVSSYSA-N 512.953 1.025 0 50 KDAA COc1ccccc1N1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)CC1 2929110 BTCCCXZRIVBOGA-SFHVURJKSA-N 514.604 1.890 0 50 KDAA C/C=C/C=C/C=C/C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O 163060375 ZGRSXMWWGUOTAO-VIEJTCJKSA-N 718.852 1.024 0 50 KDAA biogenic,in-vitro C[C@H](O)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O 252694992 SSMKLDJJCIRAMZ-RKFFNLMFSA-N 505.612 1.995 0 50 KDAA biogenic CNc1ccccc1C(=O)O[C@@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O 328578942 ALFDGDVXGBEMIN-MGPQQGTHSA-N 624.333 1.307 0 50 KDAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CNS(C)(=O)=O)CCCC(=O)N[C@H]2Cc1ccccc1 1800430287 FFPJGRCZWMEHEO-OFVILXPXSA-N 673.818 1.868 0 50 KDAA CC1(C)C[C@H](O)[C@]2(C)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)(CO)[C@@H]5CC[C@]43C)[C@@H]2C1 1848349822 OKIHRVKXRCAJFQ-LFXDYOGQSA-N 796.992 1.853 0 50 KDAA Cc1ccc(CCNC(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N2)o1 952857341 PESCPESZDZAOQH-NIXYAPBQSA-N 595.697 1.003 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2cc(-c3ccccc3)on2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704318020 NFLTYZXQUFIRDE-JOPRHTPGSA-N 673.771 1.181 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cccn(C)c2=O)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704318605 PQHSZJNHFUJUKE-WTWMYVDVSA-N 773.917 1.445 0 50 KDAA CCn1ccnc1CN1CCN(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 1704319265 UPCYXHLZIWBXCD-QDFXYHSTSA-N 693.875 1.498 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772701027 ISLJVQCNMQULSV-PAMMNBKESA-N 768.868 1.474 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cnccn2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775981768 WJBHCMFPUZPPJS-DFBJGRDBSA-N 578.674 1.625 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)Cn1nc3ccccc3n1)CCCNC2=O 2356135981 BEHSXMHAADTKOT-NDEPHWFRSA-N 603.684 1.894 0 50 KDAA CO[C@@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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 252694523 LSYMYCGGQIXKCY-QSFSOBAZSA-N 726.901 1.052 0 50 KDAA biogenic CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)[C@H]2CCC(=O)N2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321715 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CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2cncc(=O)[nH]2)CCCCNC(=O)[C@@H](C)NC1=O 1772713297 IXSUAKUEXGPFKM-KEKPKEOLSA-N 657.772 1.699 0 50 KDAA COC[C@@]12CC[C@H](OC)[C@@]34[C@H]1[C@@H](OC)[C@@H]([C@H]3N(C)C2)[C@@]1(OC(C)=O)[C@@H](O)[C@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 1772820242 FIDOCHXHMJHKRW-MNYBBKNVSA-N 615.720 1.287 0 50 KDAA O=C1CCCN(C(=O)C2CCOCC2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857740146 AQUOHXVPGJWSQG-VWLOTQADSA-N 550.660 1.116 0 50 KDAA COc1ccc2cc1OCCN(C(=O)C1CCOCC1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321906 DINPOHJPGQDPMI-XMMPIXPASA-N 527.622 1.463 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(Cc2ccncc2)CCCNC1=O 1704327281 RERZZTAYNDUJNG-BUALBWRZSA-N 550.704 1.557 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CN2CCc3ccccc3C2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772818063 YBVVPZBGCOIAGE-LUXHBGHRSA-N 699.857 1.565 0 50 KDAA CC(C)CCN1C(=O)CN(C(=O)c2cnc3ccccc3n2)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857740623 MRRRJGVXJLAKFD-OAQYLSRUSA-N 588.713 1.830 0 50 KDAA O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccccc1 97945827 WVKANAHNXOWXKU-UHFFFAOYSA-N 751.864 1.587 0 50 KDAA 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@@H](O)[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 253492309 PHASMOUKYDUAOZ-BGCRSXOLSA-N 629.747 1.677 0 50 KDAA biogenic O=C1CN(CC(=O)N2CC[C@@]34C(=O)N(Cc5cn(nn5)CCCOc5cccc(c5)[C@H]23)c2ccccc24)C(=O)N1 952864167 LYHAUXFTYXAKKR-LSYYVWMOSA-N 541.568 1.371 0 50 KDAA O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(C(=O)CC34C[C@H]5C[C@@H](CC(O)(C5)C3)C4)CCN2C(=O)[C@H](Cc2ccccc2)N1 952865685 VSLPTOWSKJNANO-UHKKGKRVSA-N 617.751 1.176 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)C2(c3ccccc3)CC2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704336966 NZWIPEOTJOYQRJ-YCLZMANASA-N 755.917 1.709 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(C(=O)c3ccc(F)cc3Cl)CC2)Oc2ccc(cc2)OCCNC1=O 1772714600 YZADVPLHUIRTHB-KBTGMKBMSA-N 724.186 1.751 0 50 KDAA O=S(=O)(CCN1CCOCC1)c1ccc(Oc2ccc(S(=O)(=O)CCN3CCOCC3)cc2)cc1 19228013 PCUVKQPOGOOBGR-UHFFFAOYSA-N 524.661 1.691 0 50 KDAA CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O 255993847 PBLMMVDDGREFKH-QKSQCPDMSA-N 882.036 1.594 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CN(c1cccc(F)c1)S(C)(=O)=O)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772701867 PNYJOPSQGXYWSL-NSJVFKKDSA-N 712.849 1.861 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cc3cc4c(cc3Cl)OCCO4)CN2C(=O)[C@@H](NC(=O)c2csc(-c3ncccn3)n2)CCCCN1 1857700998 NTGPXCINDXSFCO-LTYHASHMSA-N 769.237 1.101 0 50 KDAA CC[C@@H](C)[C@@H](O)[C@@H](C[C@@H](C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)[C@@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O 141073146 JUDLIJIPXOXXNS-SCOHGARRSA-N 521.648 1.294 0 50 KDAA Cc1cc(C)n(CCC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)c(=O)n1 952857140 OJCPRRXXEFKQPF-UHFFFAOYSA-N 547.660 1.835 0 50 KDAA COc1ccc2cc1OCCN(C(=O)CCCn1cncn1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704323354 GNBSNTFFOUTFOZ-RUZDIDTESA-N 552.636 1.109 0 50 KDAA CCc1nccn1CCC(=O)N1CC(=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 1704325186 ZDTXFDBWNDFCKF-HBMTYJCASA-N 653.825 1.590 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(CCCn3cccn3)C[C@@H]1NC2=O 1704327164 PFOJRVVHTPFQNH-DHLKQENFSA-N 505.575 1.852 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)Cc3nonc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704331945 NSQKPUWUEDWNNO-QHWQCBGESA-N 813.957 1.884 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc[nH]n3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857740941 UFJXZROOXGTEBE-YGVFAHISSA-N 671.715 1.834 0 50 KDAA Cc1cccn2c(CC(=O)N3CCCNC(=O)c4nn(C)c5c4C[C@@H](CC5)N(C)C(=O)CCC3)cnc12 1875241163 PTVYREVRABRQCZ-LJQANCHMSA-N 505.623 1.677 0 50 KDAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](C)O 252327526 LZGFTUHZKYUTCB-GIIILEAUSA-N 577.634 1.996 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)Cn1nc(C)cc1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952868760 STIWYMPBADSNHV-NVBAPGJCSA-N 709.849 1.518 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cc1c(C)noc1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704323241 DQOVYZLRLMPXLW-AREMUKBSSA-N 552.632 1.884 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3nc4ncccn4n3)C[C@@H]2Oc2ccc(cc2)CN1 1772701102 HNTQSIFIMJYUFS-DQEYMECFSA-N 583.605 1.624 0 50 KDAA CC(C)C[C@H]1NC(=O)CCCN(C(=O)[C@H]2CCCO2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713414 HSNIWNRFQWWKIA-MDNUFGMLSA-N 567.691 1.571 0 50 KDAA CCn1c(=O)n(CCC(=O)N2CC[C@H](Cn3cc(Cn4cnc5c(N)ncnc54)nn3)C2)c2ccccc21 2325843966 UZDXZOXPNCURDI-KRWDZBQOSA-N 515.582 1.123 0 50 KDAA CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@H](C(=O)NCc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952869840 MTCBBASANLXWLJ-IUWRHVCYSA-N 577.682 1.059 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(-c3nc[nH]n3)cc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772702662 DIWWIQPRFAEDHP-PWUSVURUSA-N 678.750 1.202 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)c2ccc[nH]2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772714592 YJFLMSSYLMNROP-KWTBFXGESA-N 625.686 1.348 0 50 KDAA CC(=O)O[C@H]1C[C@@]2(O)[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 1772820106 CCJGGIKEFAWREN-TXUIRVPDSA-N 652.690 1.863 0 50 KDAA Cc1oc2nc1C(=O)N[C@H](C)c1nc(cs1)C(=O)N[C@H](Cc1ccccc1)CN(C(=O)c1n[nH]c(-n3cnnc3)n1)CC(=O)N[C@H]2C(C)C 2356140107 UQZQZGUXJCYZNX-LLBVYWAGSA-N 686.759 1.940 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cccnc3SC)C[C@@H]1NC2=O 952858534 AUKQRVCXCJDYHB-RXVVDRJESA-N 510.576 1.636 0 50 KDAA 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Cc1nc2n(n1)CC(=O)NCCN(Cc1ccncc1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772817839 UAVZSECSJFUUTJ-JBXWGSRRSA-N 631.782 1.439 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1ccc(C)n(C)c1=O)CCCCNC2=O 1857704720 CNBIGYIEXSQUSK-YPCYDDIISA-N 762.861 1.792 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)c3ccn(C)c(=O)c3)C[C@@H]1NC2=O 2356160381 POVLMFSSUNHQFB-XZOQPEGZSA-N 564.570 1.634 0 50 KDAA COc1ccc(C(=O)O[C@H]2CC[C@@]3(C)[C@@H]4CC[C@@H]5[C@@]3(C[C@@]3(O)[C@@H]6CN7C[C@@H](C)CC[C@H]7[C@@](C)(O)[C@@]6(O)[C@@H](O)C[C@@]53O)O[C@]24O)cc1OC 65731559 FVECELJHCSPHKY-YFUMOZOISA-N 673.800 1.356 0 50 KDAA in-vitro CCN1C[C@@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@@H](OC)[C@]34[C@H]1[C@](O)([C@@H](OC)[C@H]32)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 257361238 NXAZXMKMGPWXII-VTVJPSNFSA-N 699.842 1.586 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cnn(C(C)C)c2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O 952861565 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O=C1N(CN2CCOCC2)c2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12 29747399 VZUVFWIJGHHKGQ-UHFFFAOYSA-N 592.649 1.045 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC1=O 85537084 NPJIOCBFOAHEDO-AVWFULIKSA-N 808.981 1.971 0 50 KDAA investigational CC(C)(C)c1cc(Br)cc([C@@H](CN(C(=O)CN)C(=O)c2cc(O)cc(NC3=NC[C@H](O)CN3)c2)C(=O)O)c1 211599313 CHDFBRXDZCBZFZ-OAQYLSRUSA-N 590.475 1.980 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713135 FSRHBSHVQDXFAB-ZDQHWEPJSA-N 762.886 1.382 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)CCCN2CCCC2=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713764 RYADTJAFURDDOO-DOUMQJFESA-N 685.782 1.109 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccnc(C(C)C)n2)CCNC(=O)COc2cccc(c2)C1 1857697185 JGWZJADVIOIBSW-SSEXGKCCSA-N 583.686 1.886 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)CCNS(C)(=O)=O)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857700014 ISHRVYKFLGHQBY-SCNURPGISA-N 764.950 1.725 0 50 KDAA COc1ccc2cc1OCCN(S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)Cc1cc(CN3CCOCC3)cc(c1)-n1ccnc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c3ccc4c(c3)OC(F)(F)O4)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1616091801 ACFPQVZNBURDHS-XLIONFOSSA-N 555.542 1.075 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(Cc1ccccc1OCC(=O)N1CCC(C)CC1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1875241900 XRIILAPNYRBVJM-XJFCNFDWSA-N 623.751 1.239 0 50 KDAA C[C@@](O)(Cn1ccc2sccc2c1=O)C(=O)NCCCCNc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325898779 ZZYANHWMNVSJDN-HMILPKGGSA-N 579.635 1.224 0 50 KDAA CC[C@H](NC(=O)[C@H](CS(=O)(=O)CC1CC1)N[C@@H](c1ccc(F)cc1)C(F)(F)F)C(=O)C(=O)NC1CC1 204927416 PPUXXDKQNAHHON-BJLQDIEVSA-N 535.560 1.955 0 50 KDAA in-vitro CCN1C[C@@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@@H](OC)[C@@]34[C@H]2[C@H](OC)[C@@](O)([C@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 253487676 NXAZXMKMGPWXII-QTGBDPTBSA-N 699.842 1.586 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)C1CCOCC1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952856667 BXVMFZGFLPAGLS-RQELPRGNSA-N 685.823 1.431 0 50 KDAA COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3cc(on3)C2)cc1 1772713918 UYCZSSLPWJZOQR-NCQDULDFSA-N 714.780 1.433 0 50 KDAA O=C1CN(C(=O)c2cccc3c2CCC3=O)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857740577 KUPOTZPZVYKPHH-SANMLTNESA-N 586.649 1.427 0 50 KDAA COc1cc2ccc1OCCNC(=O)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCCNC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC2=O 1857740955 VFYHSSAZYGXODJ-WNCULLNHSA-N 659.744 1.207 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3c[nH]nc3C3CCCCC3)C[C@H](CNC1=O)O2 1857711675 JXDMXXNCHCBSDN-DTOIDXSMSA-N 635.766 1.124 0 50 KDAA C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 2084292131 SKHJNNFXCKTDBG-JJRKQCSQSA-N 708.886 2.000 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 60272898 LHCNZORUZHETLY-ACMVSEJYSA-N 546.312 1.673 0 50 KDAA COCN1c2ccccc2S[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)OC(C)=O 252631364 VKCGIKJXWXVQAJ-ISBMVONUSA-N 541.575 1.819 0 50 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C[C@@H]1[C@@H](C)O[C@@H](O)C[C@@H](O)C[C@@H](O)CC[C@@H](O)[C@@H](O)C[C@@H](O)C[C@@H](O)C[C@@H](O)[C@@H](C(=O)O)[C@@H](O)C[C@@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)CCCCCCCCCCCCCC[C@@H](C)[C@H]1O 253487390 JQOLDMSUMCLTRF-OPKQMCNLSA-N 942.235 1.706 0 50 KDAA biogenic Cc1ccn(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)n1 952862431 JYKNPGPSWWTRPU-AFPLUKJUSA-N 683.814 1.474 0 50 KDAA O=S(=O)(c1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1)N1CCOCC1 12622376 VLELQWKJMWBQCS-UHFFFAOYSA-N 504.634 1.951 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(Cc2cccnc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O 952864381 VGSKLAVOGJEHDS-TUSQITKMSA-N 536.677 1.119 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1[nH]nnc1C)CCCCNC2=O 1857699055 GIHPVESZGGVPLZ-QLQSRUBLSA-N 722.800 1.211 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)CCn4ccccc4=O)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533618 BCCNYSVALFKFOC-PKSHOOMXSA-N 561.683 1.330 0 50 KDAA COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(CC(=O)O)c5ccccc54)c(=O)n32)cc1 2668382 VPLBQARAWNCQMJ-FEYWKWKCSA-N 547.589 1.997 0 50 KDAA CCCc1nc(C(=O)N2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc3cccc(c3)OCC(=O)NCCC2)cs1 952863282 VJTLXTTZVNKQNH-XUHJDFEOSA-N 686.876 1.972 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)Cc2cn(C)c3ccccc23)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704321277 GWHOLDUQQVWZBS-RFQXOUTQSA-N 616.763 1.785 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3cscn3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704324048 VFPUXUPBERGKHM-GPUOULLFSA-N 628.796 1.999 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)CNS(=O)(=O)c2cccs2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533573 VHGJDPBHIDTAHG-HSZRJFAPSA-N 616.766 1.848 0 50 KDAA Cc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)c3ccccc32)c(-n2cc(CN3CC(=O)CCC3=O)nn2)c1 2325871441 LQYBWLPUZJIKIQ-OAQYLSRUSA-N 507.572 1.916 0 50 KDAA C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[C@@H]2Cn3cnc(C(N)=O)c3NC2=O)CC1 2325872557 DDIDUOIIEYOKFI-UKRRQHHQSA-N 546.510 1.915 0 50 KDAA C[C@@H]1NC(=O)COc2cccc(c2)CC2(CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C1=O 952869075 WBHUNRQQEDTPPK-RNCAPKPVSA-N 693.867 1.964 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)C2CCOCC2)CCNC(=O)COc2cccc(c2)C1 1775984230 KRWXHZWSRMMQLU-NDEPHWFRSA-N 547.649 1.085 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCCc1nnc(C)s1)C2 1857700548 WIWPSGOFPBSHGD-MUUNZHRXSA-N 572.732 1.538 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)[C@H]3CCC(=O)N3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857725547 BLHDKUMOCIZFGX-YSMNOZGRSA-N 688.742 1.076 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cc3c(C)noc3C)C[C@@H]1NC2=O 1704318666 PKFUVUWUBYKSSN-DHLKQENFSA-N 534.569 1.940 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)/C=C/c3ccccc3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713171 BPMMHUORRVKKQM-NYJSWZFESA-N 711.816 1.746 0 50 KDAA Cc1nn2ncccc2c1C(=O)N1CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1 1772714502 UAYRKBRHQOWXCI-JBRSBNLGSA-N 685.790 1.171 0 50 KDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C(=O)c1ccc(Cn2cnnn2)cc1 1857707819 LCOBSUBJGNXLPZ-VQTJNVASSA-N 507.526 1.162 0 50 KDAA C[C@@H]1NC(=O)CN(C(=O)CN2CCOC2=O)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356160447 SMEUNYSVEKWMOK-FQEVSTJZSA-N 575.626 1.616 0 50 KDAA O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 230490960 YQFZOPSEPCSFQQ-UHFFFAOYSA-N 740.697 1.103 0 50 KDAA COCCn1cncc1CN1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1772713311 JAUVSNUQCANPAH-LNFMTQTQSA-N 689.814 1.189 0 50 KDAA Cc1ccc2nc(C(=O)N[C@H]3CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]4C[C@@H](NC(=O)Cc5c(C)nn(-c6ccccc6)c5C)CN4C3=O)c(F)n2c1 1857707442 SLQVKCCWDBKSKN-KHUDPXOFSA-N 757.824 1.661 0 50 KDAA COc1ccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)c(OC)n1 952865839 WTUKTTNTVPXTLA-FPOVZHCZSA-N 542.980 1.966 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3ccncc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704321895 DAMQERVLJBSAAY-CVDCTZTESA-N 509.607 1.407 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3c(Cl)cnn3C)C[C@@H]1NC2=O 1704324781 TUXLVPVXHGQCAL-UGKGYDQZSA-N 539.976 1.793 0 50 KDAA CN(Cc1ccccc1)S(=O)(=O)N[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)Cc3cccc(C(F)(F)F)c3)C(=O)N2C1 1857696505 DKRXXFPYUPRHGT-WKAQUBQDSA-N 738.786 1.318 0 50 KDAA Cc1nnnn1CCC(=O)N1CCCCNC(=O)[C@]2(CCCc3ccccc32)NC(=O)CN(CCC(C)C)C(=O)C1 2356136472 WEGOUGXPRFIWFL-GDLZYMKVSA-N 566.707 1.333 0 50 KDAA CN(Cc1cccc(OCCN2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)c1)C[C@@H]1CCC(=O)N1 11812761 BBEYEOXYNODSKH-QFIPXVFZSA-N 518.618 1.242 0 50 KDAA CN1CCc2nc(C(=O)N[C@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1 114442590 HGVDHZBSSITLCT-QRTARXTBSA-N 548.069 1.290 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)CN3CCN(c4cccc(C)c4)CC3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322623 KLIKPBHTFXKBMM-YZNIXAGQSA-N 620.795 1.829 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)c2ccccc2)C[C@@H](c2ccccc2)NC1=O 1704324054 VNFBUUVVUZEBTC-BOAFFTEWSA-N 650.736 1.675 0 50 KDAA O=C1CN(C(=O)c2cnc3ccccn3c2=O)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740103 IAUNPQCQTROVSE-MHZLTWQESA-N 649.712 1.492 0 50 KDAA CO[C@@H]1C[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@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2080912846 KWBPKUMWVXUSCA-RLQZVWGPSA-N 696.831 1.079 0 50 KDAA Cc1ccc2c(C(=O)N3CCCCOc4cccc(c4)[C@H]4CN(C(=O)CN5CCOC5=O)C[C@@H]4NC(=O)C3)cnn2c1 2100533652 CTQASGRFCPQTKA-RPBOFIJWSA-N 574.638 1.821 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2ccc3ncsc3c2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952862306 NXHVSFMJDRGXPJ-YUZJIJRXSA-N 600.705 1.842 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(C)=O)CCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772704931 NOIVHFGENPLBPS-NVYCLYPFSA-N 743.866 1.781 0 50 KDAA CC(C)CN1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772707777 ZWXYRIAEHBGSFJ-FDJWOJMMSA-N 588.709 1.836 0 50 KDAA COc1ccc2[nH]c(C(=O)N[C@H]3CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]4C[C@@H](NC(=O)CCc5ccc6c(c5)OCO6)CN4C3=O)cc2c1 1857695747 WEGPMLYSHWOWEI-NGXSIQFZSA-N 718.764 1.372 0 50 KDAA Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@H](O)CO)cnc21 66080284 RCLQNICOARASSR-VIFPVBQESA-N 504.231 1.075 0 50 KDAA in-vitro 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@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 252587188 WCHBFWOEFOZHMK-MLHVESHNSA-N 766.966 1.926 0 50 KDAA biogenic,in-vitro CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)COc2cccc(-n3cnnn3)c2)CCNC1=O 952870301 ZWYZGJNOXGKIIE-AREMUKBSSA-N 634.673 1.196 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3CCN(C(C)=O)CC3)C[C@@H]1NC2=O 1704316590 WHRYTISEJHZSPF-OZXSUGGESA-N 550.612 1.351 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cccc(-n4cnnc4)c3)C[C@@H]1NC2=O 1704323857 HTMZPNRNXHTXGI-IGKIAQTJSA-N 568.590 1.987 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CN2CCCCCC2)C[C@@H](c2ccccc2)NC1=O 1704324258 LUJIIGFHEWOBDT-BDOKBDPLSA-N 685.826 1.237 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704344857 PJAJRAUJAVFODP-PBRLLCAWSA-N 715.852 1.291 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCO)C[C@@H]2Oc2ccc(cc2)CN1 1772817374 LBSFMXHBGPTKDB-ZEQRLZLVSA-N 509.559 1.255 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1cc[nH]c1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772817570 DUCJSNHHSKOXMU-MCPPRULHSA-N 633.754 1.013 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)CCCNCCNC(=O)c2ccc(OC)c(c2)Oc2cc(F)cc(c2)CNC1=O 1857690620 HKADVFJQCXVNIR-CLMBAJDBSA-N 615.703 1.753 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(C(=O)COc1ccc(-n3cnnn3)cc1)CCCNC2=O 2100533693 FHYSZCKTAPJUND-NRFANRHFSA-N 577.690 1.700 0 50 KDAA NC(=O)NCC(=O)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952856674 CCRHKEQSSOIJAS-OZXSUGGESA-N 501.547 1.487 0 50 KDAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(S(=O)(=O)[C@@H]1CCS(=O)(=O)C1)CCCNC2=O 1704316528 SZDZPFFDXVNORV-LJQANCHMSA-N 597.687 1.975 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)CN)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714425 PTQLXMIBZCZGNX-XHCLBPLVSA-N 678.831 1.075 0 50 KDAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccc(N3CCOCC3)nc2)CCCNC(=O)COc2ccc(cc2)C1 1775977420 GPEAKLVLHGLFDG-UUWRZZSWSA-N 653.777 1.984 0 50 KDAA O=C1CN(C(=O)[C@H]2CC(=O)N(Cc3cccnc3)C2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857699449 PTBBABQVVVCGOX-SFHVURJKSA-N 513.982 1.241 0 50 KDAA COCC(C)(C)C(=O)N[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c3ccc4cccc(Cl)c4n3)C(=O)N2C1 1857703125 URUWNKDZASOIQT-DLTYFMDKSA-N 673.167 1.395 0 50 KDAA COc1ccc([C@@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)nc3ccccn3c2=O)cc1 2049511897 GJMSKLLCBJCTCC-LJQANCHMSA-N 527.537 1.750 0 50 KDAA 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]6CC[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[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2080911056 YFGQJKBUXPKSAW-AIRDEHSQSA-N 969.128 1.642 0 50 KDAA CC(C)[C@@H]1NC(=O)c2cc(-c3ccccc3)ccc2OCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](C)NC1=O 2100533829 HJPQWKCCTKLJIX-MFHCRVQTSA-N 522.602 1.083 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O 257373285 UMKHUVRCCMAOBN-QPTLCCRDSA-N 612.728 1.125 0 50 KDAA COc1ccc2c(c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cn(nn1)CCCO2 952865679 VLMYIIQSGCQHKG-DTXPUJKBSA-N 675.787 1.659 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2ccccc2N2CCOCC2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772702880 XBECDUKHSVRBDG-SUHSUELASA-N 687.798 1.660 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)Cc1ccc(-c3ccccc3)cc1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1857741148 FFNSXTFKRNMZSM-RCRUUEGKSA-N 572.662 1.837 0 50 KDAA COc1ccc(-c2noc(CN3CCN(C(=O)C(=O)Nc4cccc(S(=O)(=O)N5CCCN(C)CC5)c4)CC3)n2)cc1 1875352266 ZATHTRODNCVDGA-UHFFFAOYSA-N 597.698 1.354 0 50 KDAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3ccc4nnnn4c3)CC[C@H]1O2 2356163082 WSKRHECGWKTORQ-XZOQPEGZSA-N 571.594 1.542 0 50 KDAA COc1ccc(CN(C)C(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N2)c2cccnc12 952863729 SAZBWNWARDJXHL-AGAMXPQUSA-N 672.783 1.958 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2ccc(-n3ccnc3)cc2)C[C@H](Cc2ccccc2)NC1=O 1704317156 HCEFSXQWFUFLNP-PPKCTYJGSA-N 627.746 1.692 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(S(=O)(=O)N3CCCCC3)C[C@@H]1NC2=O 1704324435 QEJZKXPKVAPKSQ-URXFXBBRSA-N 544.630 1.296 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(F)ccc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 1704342239 KZUBAUACJRCTNI-OWLOISJRSA-N 671.730 1.450 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cnccn3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857708553 ZVTOLNPPJUDTKC-NHPGZMOWSA-N 683.726 1.901 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)CCn1nc(C)cc1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952864061 HXJUYMOTGKPNIA-RZZNCETPSA-N 723.876 1.908 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccc(-c3nnn(C)n3)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713592 MAWACVABNACKAE-QHWMMSMNSA-N 712.816 1.011 0 50 KDAA CCn1ncnc1CN1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1704321972 JIWXVTPNMWWEDE-REWPJTCUSA-N 506.563 1.377 0 50 KDAA CCc1ccc(CN2C[C@@H](C(=O)N3CCCNC(=O)c4ccc(OC)cc4OCCNC(=O)C3)CC2=O)cc1 1857706234 LOORSBOZHXWLQF-QFIPXVFZSA-N 536.629 1.763 0 50 KDAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2C)cc1 101248778 GRPVFOOPMCDBQU-OAQYLSRUSA-N 537.476 1.481 0 50 KDAA CCn1c(-c2ccccc2)nn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2NC(C)=O)c1=S 334161201 WGIPACAVGUSGLP-YPSHPOCOSA-N 534.591 1.930 0 50 KDAA Cc1noc(C)c1CCCNC(=O)[C@@H]1Cc2ccc(cc2)OCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 952861702 FPTNFPMVWJNLBR-UZLRBNBQSA-N 624.739 1.097 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)C2CCOCC2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704324794 UMZFAIXYHKTQKK-WTWMYVDVSA-N 750.923 1.859 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2ccc3c(c2)N(C)C(=O)CO3)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772705275 RSRZBUGFSNDGMX-VRCSSVMSSA-N 795.894 1.716 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2ccc3c(=O)n(C)cnc3c2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714103 ZMTYXMWANYJWLN-KPGYKUMBSA-N 684.754 1.070 0 50 KDAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)Cn1cnnn1)CCN(C(=O)c1ccccn1)CCC(=O)NC[C@H]1CCCN3C1 1875240776 IHSIUTTZOXNIQG-JOCHJYFZSA-N 672.747 1.550 0 50 KDAA COc1cc(OC)c2c(C)c(CC(=O)NCC(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)NCCCC(=O)N[C@@H](C(=O)O)c3ccccc3)c(=O)oc2c1 150658721 AHKLXKLWOMVOHE-CZZIKKGSSA-N 757.797 1.460 0 50 KDAA Cc1ccc2cc1OCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC2=O 952857212 JPZBHYUYIVEPIM-DQFIBICCSA-N 619.723 1.033 0 50 KDAA O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(CCCC3CCCC3)CCN2C(=O)[C@H](Cc2ccccc2)N1 952865726 RBKDSSXQCQZKEI-IZZNHLLZSA-N 535.693 1.899 0 50 KDAA COc1ccc(S(N)(=O)=O)cc1C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713211 HKBPSUYZOLHEAM-YTMVLYRLSA-N 650.710 1.842 0 50 KDAA CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]2[C@@H](OC)[C@@H]([C@@H]13)[C@@]1(OC(=O)c2ccccc2)C[C@H](OC)[C@H]2C[C@]4(O)[C@H]1[C@H]2O 1772820252 XEZIAMZSYPGGSD-CIGRKNCXSA-N 557.684 1.482 0 50 KDAA COc1ccc([C@@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)nc3ccccn3c2=O)cc1 2049512052 WFAZITXDKLIURQ-LJQANCHMSA-N 500.577 1.471 0 50 KDAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H]2c2cn(C[C@H]3CCCCNC3=O)nn2)cc1 2325844107 YWMFYJXZGBJVCF-YSZBQJHXSA-N 530.651 1.720 0 50 KDAA CCc1ccc([C@@H]2CN(C(=O)C[C@@H]3CCC(=O)NC3=O)CCN2C(=O)C[C@H]2CCCS2(=O)=O)cc1 2325871610 RVKYQYDENHYGOC-HBMCJLEFSA-N 503.621 1.371 0 50 KDAA CN(C)S(=O)(=O)c1cc(NCc2ccc3c(c2)OCCO3)cc(C(=O)N2CCC[C@@H](C(N)=O)C2)c1 14533314 CQKVAVISALDPQJ-QGZVFWFLSA-N 502.593 1.658 0 50 KDAA CC[C@H](C)[C@H](NC(=O)[C@@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(=O)OC(C)(C)C)C(=O)O 245255260 GPOCHLQREYUIEA-RYTRXMBJSA-N 637.691 1.199 0 50 KDAA 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](O)[C@@]1(C)O 247910372 ULGZDMOVFRHVEP-HTOQPPJASA-N 733.937 1.786 0 50 KDAA C[C@@H]1C[C@H]2O[C@@]3(O[C@@H]2C(C)(C)O)[C@H](O)[C@@]2(C)[C@@H]4CC[C@H]5C(C)(C)[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]2(C)[C@@H]13 252585036 FQXVWSGUAKXSLO-CKLOPMIDSA-N 752.939 1.585 0 50 KDAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3nc4ncccn4n3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1775981492 AAWDXNZQDGNTAM-KYVYNOIWSA-N 767.888 1.868 0 50 KDAA COc1ccc(-c2oc3c(CC=C(C)C)c(O)cc(O)c3c(=O)c2O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O)cc1 150351135 ZRGOVKQDBSFQIU-RDYCXQFPSA-N 760.742 1.561 0 50 KDAA CCCCC[C@H](O)[C@@H]1C(=O)O[C@H](C)[C@H](O)C=CC=CC=CC=CC=C(C)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@@H]1O 253637622 IMQSIXYSKPIGPD-CVNYDOQJSA-N 654.838 1.888 0 50 KDAA biogenic COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CN(C(=O)c3cnccn3)C[C@@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 1704323486 UBHKKDBPNUMQHS-BTSHGXIPSA-N 699.809 1.327 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2nc3ccc(Cl)cn3c2F)Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1772713608 NBCLMPQNAPEKDH-WLAJQIHSSA-N 728.222 1.753 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2cnc3cccnn23)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc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n2ccc(O)nc2=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772818546 UJAJGAYAZANSKB-FNZWTVRRSA-N 662.729 1.583 0 50 KDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)C[C@@H]1COc3ccc(C(=O)N(C)C)cc3N1C)CCCC(=O)NCCO2 1857706872 UQDUHHVGKDVACO-JOCHJYFZSA-N 565.671 1.832 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(S(C)(=O)=O)CCNC2=O 1875242465 URTMMPVWKWMPJJ-XMMPIXPASA-N 570.672 1.851 0 50 KDAA COc1ccc2cc1OCCCN(S(C)(=O)=O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940193711 OLWZKYJRHTXVIL-QFIPXVFZSA-N 555.657 1.447 0 50 KDAA O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 2325872576 DTNAIOISTYSOKY-FXAWDEMLSA-N 500.939 1.986 0 50 KDAA COc1ccc(CCN2C(=O)[C@@H](CCC(=O)N3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)N=C2O)cc1OC 252571050 XPGOIIJPWMFXCY-HSALFYBXSA-N 508.575 1.959 0 50 KDAA COc1ccc(/C=C/CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)cc1 952856513 KNOMWTZQQDZALY-HSNCKMIVSA-N 571.682 1.650 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)COc2cccc(c2)[C@H]2CN(C(=O)Cc3ccc(F)cc3F)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC2CC2)C1=O 1704321421 NZASZCDTJVPEJI-UUQHOZIOSA-N 731.797 1.842 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)CCn2cnc3ccccc3c2=O)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704329426 UULXRPKSGFUGOB-DEAMSZQMSA-N 691.855 1.240 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)CC(C)C)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772704913 NDVGVMAHTOYUMU-HQQGYVGFSA-N 624.787 1.417 0 50 KDAA COc1ccccc1OCc1ccc(C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(COC(C)=O)CS[C@@H]23)o1 8927991 UDGMJBJYYCCPGT-GCJKJVERSA-N 502.501 1.783 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CCO)C[C@@H]1OCc1cccc(c1)O2 952862089 KQNLAVWSTFEGLV-DQEYMECFSA-N 556.616 1.415 0 50 KDAA C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1565750575 KQTZVENXVUVZFB-AGSWCSSXSA-N 799.008 1.328 0 50 KDAA biogenic,in-vitro CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)C2CCOCC2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772701772 AARXRRDVAYQQAL-GBXCKJPGSA-N 620.711 1.840 0 50 KDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC(=O)NCCNc2ccnc(c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC1 1857741509 WCRVROMPTONMRG-NDEPHWFRSA-N 640.749 1.377 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1nc(OC)n(C)n1 2100533108 ALERUHNMWAMOQJ-RBUKOAKNSA-N 528.610 1.016 0 50 KDAA CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1C[C@H]1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C 263616649 JXTPXZSBXACXHS-KDURUIRLSA-N 520.545 1.948 0 50 KDAA in-vitro Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCN)C(C)(C)C)cc1 820924996 ZQKKNLXIQLXWLQ-ONBPZOJHSA-N 619.785 1.236 0 50 KDAA C[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NCCN(C(=O)c2ccc[nH]2)CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1C 952862866 RSGWCGMKRJEVDL-NUKCWJJBSA-N 611.703 1.370 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(Cc3ccccc3OCCO)CC2)Oc2ccc(cc2)OCCNC1=O 1772701868 HXEMDYCKCRMPGM-IUEKTVKYSA-N 701.821 1.717 0 50 KDAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)N2CCCC2)CCNC(=O)COc2cc(ccc2OC)C1 1857700611 XJIJHICEZSQFEF-GDLZYMKVSA-N 608.758 1.635 0 50 KDAA Cc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCCCN(C(=O)CNc4cccnc4)CCNC(=O)[C@H]3C2)nn1C 1875242618 XWVGTHPWHLHITF-RPBOFIJWSA-N 545.644 1.819 0 50 KDAA O=C1CN(C(=O)CN2CCOC2=O)CCCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@@H]2N1 2100533321 KGIGOBVRCNSPEQ-PKTZIBPZSA-N 564.595 1.593 0 50 KDAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(C(=O)c2cnn(-c3ccccn3)c2C)CC(=O)N[C@H]1C 2356162206 BUWNAOZHSOOJGB-CFESPSLPSA-N 592.653 1.920 0 50 KDAA O=C(c1ccc(Cl)cc1)c1c2c(=O)n(N3C(=O)c4ccccc4C3=O)c(=O)c2cc2c(=O)n(N3C(=O)c4ccccc4C3=O)c(=O)c12 150398209 CAJGOWZKJSKSQZ-UHFFFAOYSA-N 644.939 1.661 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(Cc3nc(-c4ccccc4)cs3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952855956 WCRRTGCXRUAVTL-GBXCKJPGSA-N 558.668 1.877 0 50 KDAA Cc1c(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)cnn1-c1ccccn1 952863953 FEZLWAYRLGGGTK-YGPDHOBYSA-N 630.750 1.253 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCCN(c3ccccc3)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952866091 ZOIKUKLRYKOAFT-OWTRXNHJSA-N 646.789 1.482 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCc3ccnn3C)C[C@@H]1NC2=O 1704319322 VGYKPHOQDIJCBQ-DHLKQENFSA-N 533.585 1.458 0 50 KDAA COc1cccc(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)c1OC 1704321075 ACEIDFPWUQKGLO-ZVSVLELASA-N 621.735 1.524 0 50 KDAA CNC(=O)c1cc(S(=O)(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)ccc1OC 1772700515 BZIAUMUIBOTXKV-JOMNFKBKSA-N 710.858 1.487 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(C)=O)CCNC2=O 1875241106 NUWFBIPZEFHBHX-QGZVFWFLSA-N 506.563 1.802 0 50 KDAA N=c1nc(CN2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc(Nc2ccc(F)cc2)[nH]1 1875324635 GLDYIQCMCJDVCC-UHFFFAOYSA-N 514.543 1.004 0 50 KDAA COc1ccccc1OCc1csc(NC(=O)C(=O)N2CCN(c3nccn4c(C)nnc34)CC2)n1 1875350871 DDNJYZCIPUVPLE-UHFFFAOYSA-N 508.564 1.764 0 50 KDAA O=C1CN(Cc2ccc3c(c2)OCCO3)CCCOc2cccc3c2OC[C@@]2(CN1)CN(C(=O)CN1CCOCC1)C[C@@H]32 2100533805 GEAILRJYLCFQDT-ZOYWYXQUSA-N 592.693 1.496 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(Oc3ccccc3F)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952858100 UVDGTBAJDUVQRR-AGAMXPQUSA-N 665.763 1.952 0 50 KDAA COc1cc(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)ccn1 952869335 ZYVBKWPQNKJRFM-FCTLNWHPSA-N 699.209 1.629 0 50 KDAA Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCO[C@H](C1)[C@H]2O 1704322123 GAMFXXIJROOGIF-COUZNAPJSA-N 743.906 1.614 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(Cl)cn2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713815 SBGWOHSVSYDNIG-SQMFLSJESA-N 647.132 1.466 0 50 KDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@@H](CC3)N(CCC(C)C)C(=O)C1 1857740635 RSXQNPRPKMNTBM-HSZRJFAPSA-N 634.786 1.260 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1ccccn1)CCNC2=O 2100533524 TVEZSHZUWGMERF-QFIPXVFZSA-N 581.718 1.175 0 50 KDAA CC[C@@]1(c2ccc(NC(=O)COc3cccc4c3C(=O)N([C@H]3CCC(=O)NC3=O)C4=O)cc2)CCC(=O)NC1=O 2325899080 MOFQSZUZPOZUEK-JMQGSBJISA-N 546.536 1.190 0 50 KDAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(N)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 2704083 DCXKBLVWKQIFBR-RKKARLDVSA-N 532.578 1.009 0 50 KDAA CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@]1(O)CC[C@H]1[C@@H]2[C@H](OC(C)=O)C[C@@]2(C)[C@H](C(=O)O)CC[C@@]12O 257348608 HIWAUMHEHZRTHX-IVLCTFBISA-N 568.616 1.518 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(C)nc(C)c3)CN2C(=O)[C@H](C(C)C)NC1=O 952857178 IRLVBHBMDVTNJM-LWJPXKKLSA-N 693.871 1.542 0 50 KDAA COCCN1CC(=O)N[C@H]2CN(c3ccc(C(=O)N4CCOCC4)cn3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952858580 DVGADZLJBBUDRA-NSOVKSMOSA-N 616.675 1.734 0 50 KDAA CSc1ccccc1C(=O)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 952861594 BPGMIDMBBNZUIF-BJKOFHAPSA-N 575.695 1.491 0 50 KDAA CSCC[C@H]1NC(=O)c2cccc(c2)OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952862069 JIAJUCHHQINANN-PKTZIBPZSA-N 522.631 1.566 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CN3CCOC3=O)C[C@H]1NC(=O)CN(C)C2=O 1615702775 ALZTVLYVVKCXEO-PKTZIBPZSA-N 536.585 1.927 0 50 KDAA Cc1cc(C(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC3=O)c2ccccc2n1 1772713255 DYTOMHDTUWMJFW-WCUSUSPOSA-N 736.826 1.815 0 50 KDAA Cc1nonc1C(=O)N1CCNC(=O)c2ccc3nc(CC(C)C)n(c3c2)CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)C1 1857705499 JXMHVAYULHCHPN-KCWPFWIISA-N 685.786 1.551 0 50 KDAA CC[C@H](C)C(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@]5(O)[C@@H](C[C@@]42O[C@]13O)[C@@H]1CN2C[C@H](C)CC[C@H]2[C@@](C)(O)[C@H]1[C@@H](O)[C@@H]5OC(=O)[C@](C)(O)CC 253487873 SGYGAUUUPXBOSA-FKDTYABPSA-N 693.875 1.495 0 50 KDAA CC[C@@H]1NC(=O)[C@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@H]2CCCN2C1=O 256013183 YGXCETJZBDTKRY-OFCOGKBJSA-N 866.973 1.270 0 50 KDAA biogenic,in-vitro COc1cccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1 952863404 FOSRSWOWEXXLLO-VWLOTQADSA-N 530.629 1.999 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc3scnc3c2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704323844 HHPCDJKRGXLTMW-NUJAYGABSA-N 663.801 1.136 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CCCn1cncn1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713497 OEZGWZWRHBXVJR-IRPSRAIASA-N 620.759 1.328 0 50 KDAA COc1cc(CC(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)cc(OC)c1OC 1772817848 UHIMNLIYBDRYRH-WTWMYVDVSA-N 715.804 1.372 0 50 KDAA COc1ccc(-c2noc(CN3CCN(C(=O)C4=NN(c5ccc(F)cc5)[C@H](C(N)=O)C4)CC3)n2)cc1 1875257902 SNKJNCQIDMMFRE-NRFANRHFSA-N 507.526 1.649 0 50 KDAA CCOC(=O)N1CCN(C(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)CC1 33355642 HVNGKQZTLMQINJ-JOCHJYFZSA-N 550.659 1.051 0 50 KDAA CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@H](C(=O)NCc2ccc3c(c2)OCCCO3)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952856797 BKCFEDLHVRSNEQ-RVSRZYBWSA-N 649.745 1.221 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCCn1cncn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864479 HYZJPOSTGRJZGZ-MHZLTWQESA-N 629.722 1.670 0 50 KDAA CC(C)[C@@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc1n2 1704323390 UOVVJBQWPDPGQF-VPMCBBNJSA-N 688.811 1.706 0 50 KDAA Cn1cc(S(=O)(=O)N2CCCCN3CCCC[C@H]3CCc3cccc(c3)OCC2)c(=O)n(C)c1=O 1857705041 PLCIIDBJCVKTCH-NRFANRHFSA-N 504.653 1.735 0 50 KDAA Cc1ncc(C(=O)N2CCCC(=O)NCCOc3ccc(F)cc3C(=O)N[C@@H](CCC(N)=O)C(=O)NCC2)c(-c2ccccc2)n1 1857709655 KTEQSEJWQHHOSM-VWLOTQADSA-N 633.681 1.502 0 50 KDAA CS(=O)(=O)N1CCC(c2cn(-c3cccnc3C(=O)N3CCc4c(C(=O)O)ccc(F)c4C3)nn2)CC1 1875325346 WAOYLVBTVWKMJH-UHFFFAOYSA-N 528.566 1.837 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)Cc2cccc3ccccc23)[C@@H](OC(C)=O)[C@H]1OC(C)=O 245285608 XYWZWQBEWGQXQR-FYHLHOPESA-N 515.515 1.582 0 50 KDAA COC(=O)[C@@]12OC[C@@]34[C@H](CC5=C(C)C(=O)C(O)=C[C@]5(C)[C@@H]3[C@H](O)[C@@H]1O)OC(=O)[C@@H](OC(=O)/C=C(\C)C(C)C)[C@@H]24 257779632 ZLLWLVCJZCJECL-WXTOUUDVSA-N 546.569 1.073 0 50 KDAA biogenic CCc1ccc([C@@H]2CN(C(=O)C[C@H]3CCC(=O)NC3=O)CCN2C(=O)C[C@H]2CCCS2(=O)=O)cc1 2325871612 RVKYQYDENHYGOC-NJYVYQBISA-N 503.621 1.371 0 50 KDAA CC(=O)N[C@H]1[C@H](Oc2ccc(I)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 59269380 BACZETLXMXQASX-LASHMREHSA-N 549.314 1.326 0 50 KDAA biogenic,in-vitro Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1704339450 HDGJDWPZHYJYOK-OHCPQPGMSA-N 743.862 1.383 0 50 KDAA Cc1cccn2c(CC(=O)N3CCCNC(=O)Cn4nc(-c5ccccc5)nc4[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C3)cnc12 1772713597 MHBBVEFUXXXQIV-BXTSTYNKSA-N 698.829 1.705 0 50 KDAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)C(C)C)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857707390 QMWASCXJEBSWOH-BWKNWUBXSA-N 663.776 1.850 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@@H](CNC1=O)O2 1857711564 GWUIHEBOKKHVCE-KGSXXDOSSA-N 684.190 1.096 0 50 KDAA COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O 14210883 SWMDAPWAQQTBOG-UHFFFAOYSA-N 583.498 1.168 0 50 KDAA investigational CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 113080923 MIVQDKORYUSPTQ-QKDODKLFSA-N 566.699 1.779 0 50 KDAA in-vitro O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(C(=O)Cc3cccc(C(F)(F)F)c3)CCN2C(=O)[C@H](Cc2ccccc2)N1 952865945 ZQZFHZUQDKRRTQ-LOSJGSFVSA-N 611.625 1.717 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(C)=O)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713469 MRNQUHGJKWQTMU-BCDQWZCSSA-N 599.733 1.743 0 50 KDAA CC(=O)NCCC(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772816805 BXXYPCBDFPBKPS-CPJSRVTESA-N 609.709 1.756 0 50 KDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCCNC(=O)CC[C@@H](c2ccccc2)CCNC(=O)C1 1875240759 IEYUHOTWSAVAMA-HSZRJFAPSA-N 521.666 1.569 0 50 KDAA COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccccc2)(C(F)(F)F)C(=O)N3)cc1OC 3636117 DWMLLNIYVOSTJW-QHCPKHFHSA-N 518.448 1.936 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2scc3c2CCCC3)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704323206 BIPNREOVONPAMM-PYGAOQJHSA-N 666.845 1.467 0 50 KDAA CC(=O)NCC(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1800411451 KAWFHNDALKPZOJ-CYFREDJKSA-N 595.682 1.366 0 50 KDAA CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCNC(=O)c3ccc(OC)cc3OCCNC(=O)C2)c1C 1857706483 VJUGNYMJTASIEG-UHFFFAOYSA-N 500.552 1.588 0 50 KDAA O=C1CCCN(C(=O)c2cccn3cnnc23)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857741542 XOEPVKOOWIROFC-VWLOTQADSA-N 583.653 1.046 0 50 KDAA COC(=O)[C@@H]1O[C@@H](O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(=O)CO)CC[C@@H]5[C@@H]4CC[C@@H]3C2)[C@H](O)[C@@H](O)[C@@H]1O 257350049 UHXRPNKSNMPJSI-XDIABGBVSA-N 524.651 1.573 0 50 KDAA COc1cc(C(=O)N2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCC2)cc(OC)c1OC 1704324422 PQGALKFQHUDPAY-IIBYNOLFSA-N 506.600 1.100 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)CCc1ccnn1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704330534 FETVZRUHVHFKCG-FHFPRHJOSA-N 717.868 1.752 0 50 KDAA O=C1CN(C(=O)c2cscn2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740226 DZDBXWORTBONCE-QHCPKHFHSA-N 588.694 1.941 0 50 KDAA CCOc1ccc(C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1Cl 952863646 REDGTRBDJUNVGN-PGRDOPGGSA-N 568.034 1.445 0 50 KDAA C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1565750576 KQTZVENXVUVZFB-JVCVVLLPSA-N 799.008 1.328 0 50 KDAA biogenic,in-vitro C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)N(C(=O)c2cscn2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 1704318031 NMFUZEYEWQFURO-PMWPQBSLSA-N 629.743 1.545 0 50 KDAA 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)Cn3c(=O)oc4ccccc43)C[C@H]2C(=O)N1 1704321436 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CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@@H](OC(=O)c3ccoc3)[C@@H]3OC(=O)[C@@H](C)CCc4ncccc4C(=O)OC[C@]4(C)O[C@@]1([C@@H](OC(C)=O)[C@@H]4[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@]3(C)O 257520559 QFIYSPKZWOALMZ-AYRGMVOXSA-N 857.815 1.750 0 50 KDAA biogenic COc1nc2c(cc1C(=O)N1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(C)c(c3)OCCCn3cc(nn3)CC1)CCC2 952867183 KBGGNHCMCUPZDU-HRFSGMKKSA-N 605.696 1.242 0 50 KDAA CC(=O)c1cc(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)cs1 1704321080 AJJXUGGWLLGPMH-POQLXJCWSA-N 719.861 1.923 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CCc2cccnc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713643 NWOXJGZBSMXDQS-CLCZQPDDSA-N 659.792 1.534 0 50 KDAA COc1ccc2cc1OCC(=O)NCCN(C(=O)c1cscn1)CCCC(=O)NC[C@](CC1CC1)(C(=O)NCCn1cncn1)C2 1875240041 FXELLHJMCQNLME-WJOKGBTCSA-N 652.778 1.436 0 50 KDAA O=C1N[C@H]2CN(C(=O)CCN3CCCC3=O)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952868226 GHIDRNZHLNYOQZ-FPOVZHCZSA-N 516.986 1.253 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cnc(N)nc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316409 OOOMYIUYPYVAQU-QHWQCBGESA-N 824.984 1.944 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)C(C)(C)C)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772705759 ZLJPOYQIUJIOCG-KSNOWIBYSA-N 591.709 1.150 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCCc1nc(-c3cccnc3)n[nH]1)C2 1800430573 RCVOKXXZAFNWSF-JGCGQSQUSA-N 618.739 1.558 0 50 KDAA CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801094 WAEKSZJQJUDRCQ-KJWQXZETSA-N 565.553 1.736 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccccc2Br)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253403055 PHDLJLBCUHARPE-CENDIDJXSA-N 561.407 1.819 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2cccnc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772701561 FNTWCADEXYYTQP-NIJXNBFTSA-N 603.680 1.219 0 50 KDAA Cc1ccc(N(CC(=O)NC[C@@H](C)NC(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)S(C)(=O)=O)cc1 16292561 RRRYECAPMXEHDI-LJQANCHMSA-N 524.665 1.157 0 50 KDAA COc1ccc(C2(C(=O)N[C@H]3CCCNC(=O)CN(C)C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC3=O)CCCC2)cc1 1704322019 BVDVBXUBCHMDSK-SRBUNAHZSA-N 704.869 1.733 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)CCS(=O)(=O)c3ccccc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713641 NUBUXFAUELEHKG-IUEKTVKYSA-N 747.871 1.536 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccc(Br)cn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1848442271 QACCEXUDTIMBQQ-NLNMYJFZSA-N 562.395 1.214 0 50 KDAA COC(=O)CNC(=O)CNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 100814631 CFHDKMPMUFCZIC-QFIPXVFZSA-N 542.589 1.784 0 50 KDAA CO[C@@H]1O[C@H](OC(C)(C)[C@H]2O[C@]34C[C@@]5(C)[C@@H]6[C@@H](O)C[C@H]7C(C)(C)[C@@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@@H]8O)CC[C@@]78C[C@@]68CC[C@]5(C)[C@H]3[C@H](C)C[C@H]2O4)[C@H](O)[C@@H](O)[C@H]1O 253499149 SPEHTZJJRZONBU-ZKYDWRFTSA-N 782.965 1.557 0 50 KDAA biogenic COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)NCCc3ccccc3)C[C@@H]1NC2=O 952862413 PEBQCRLOROMHIK-URXFXBBRSA-N 506.563 1.631 0 50 KDAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(F)(F)CC2)NC1=O 952865213 NYTLCFHBKHQOBJ-QHWQHVLLSA-N 639.700 1.587 0 50 KDAA CCC[C@@H]1NC(=O)c2ccc(C)c(c2)OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952865851 ULKCDGPBNABGQM-GOTSBHOMSA-N 504.591 1.921 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)C2CCCC2)C[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C)N(C)C1=O 1704321078 AEWSCNGJZIFRNX-QIDVEAJRSA-N 654.853 1.770 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CN(C)C)CCCCNC(=O)[C@@H](C)NC1=O 1704322448 KWTCZRKOJFNVQA-OFQAEJFBSA-N 620.795 1.864 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3ccn(C(F)F)n3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704330858 HNGPRKJHVJASAA-UWJYYQICSA-N 548.591 1.604 0 50 KDAA COCCC[C@]1(C(=O)N2CCN(C(C)=O)CC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705626 OHJMNSSEBJIFFM-JGCGQSQUSA-N 604.708 1.621 0 50 KDAA O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 2325872578 DTNAIOISTYSOKY-XLIONFOSSA-N 500.939 1.986 0 50 KDAA CCS(=O)(=O)N[C@H](C)C(=O)N1CC=C[C@H](NC(=O)c2ccc(OC)cc2I)C1 2325877349 PENZUEUCJIXQCG-OLZOCXBDSA-N 521.377 1.124 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cccnc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952857250 BRTHEKUVPDCEJC-RQELPRGNSA-N 678.791 1.713 0 50 KDAA Cc1cc(C(F)(F)F)nc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N2)n1 952863244 HESHOGYJYCITHO-VNWDASSNSA-N 661.682 1.176 0 50 KDAA Cc1ccn2cc(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)nc2c1 952864241 NEPBLXFZGMULIT-STMVPXLDSA-N 597.680 1.188 0 50 KDAA COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@H](NC(C)=O)c2ccccc2)C1=O 1875322238 MZJGKJNAHKWAQD-SLFFLAALSA-N 512.588 1.625 0 50 KDAA CCOC(=O)[C@@H](CCc1ccccc1)NS(=O)(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325899207 UCNRBGKPUOYQMY-UXHICEINSA-N 513.572 1.290 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cnc(SC)nc3)C[C@@H]1NC2=O 952863111 FUFCVICUSLHCGM-PXNSSMCTSA-N 511.564 1.031 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2cc3ncccn3n2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952864613 KRKIGVXZOMLFRU-BFGHFXMOSA-N 706.808 1.625 0 50 KDAA COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1CCCCC1)NC2=O 952868130 BWVZUZYNXLWVHZ-UTKZUKDTSA-N 512.611 1.959 0 50 KDAA CCCCc1ccc(C(=O)N[C@H]2CCCNC(=O)CN(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC2=O)cc1 1704315670 BDAGDMWNTMATEM-CSLKCKJJSA-N 662.832 1.869 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1c(C)noc1C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714204 FPZOEONPTDCCJW-SQHAQQRYSA-N 642.783 1.723 0 50 KDAA CC(=O)O[C@H](C(=O)NC1CCCCC1)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC1CCCCC1 245242232 NBTJDPSAJZDMSX-NVPYSNMXSA-N 540.610 1.611 0 50 KDAA CNC(=O)c1noc(CN2CC[C@H]3OCc4cccc(c4)Oc4cc(ccc4C)C(=O)N(C)CC(=O)N[C@H]3C2)n1 952856085 INGPDQBHVNKNAA-FCHUYYIVSA-N 548.600 1.891 0 50 KDAA CCc1ccccc1CN1C[C@H]2CC(=O)NCCN(C)C(=O)c3cccn(c3=O)Cc3cn(nn3)[C@H]2C1 1616092283 SKLVIBUYVRUBJG-QPPBQGQZSA-N 503.607 1.316 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(CCn2cc(Cl)cn2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772705436 RHCNTROBFRCHOK-NIJXNBFTSA-N 627.146 1.533 0 50 KDAA O=C1C[C@H](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)cc2)C(=O)N1 2325873060 XHLJJRFVVZMAGY-SFHVURJKSA-N 501.543 1.225 0 50 KDAA CC(=O)O[C@]12CO[C@@H]1C[C@H](O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](O)C[C@@](O)([C@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C 245190606 YWLXLRUDGLRYDR-QCCLTVDBSA-N 544.597 1.082 0 50 KDAA biogenic COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@]2(c3ccc(OC)cc3)Oc3cc(O[C@@H]4O[C@H]([C@H](O)CO)CO[C@@H]4OC)cc(OC)c3[C@@]2(O)[C@H]1O 257429884 GVKXFVCXBFGBCD-LMDUURJBSA-N 654.665 1.573 0 50 KDAA 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O=CC(=O)c1ccc(-n2cc(COCCOCCOCCOCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@H]43)nn2)cc1 103621616 KYCJOMMRJCOZMY-OROMBRFGSA-N 632.740 1.057 0 50 KDAA COC(=O)[C@]1(Sc2ccccc2)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 409444172 NPLKOUSSDBQHEN-NSRCKOCHSA-N 583.612 1.300 0 50 KDAA CS(=O)(=O)c1ccc(C2(C(=O)N3C[C@@H]4NC(=O)c5ncccc5OCCn5cc(nn5)CO[C@H]4C3)CCC2)cc1 952856358 GDBODJQXZIZXMC-GMAHTHKFSA-N 566.640 1.117 0 50 KDAA COCCN1CC(=O)N[C@H]2CN(Cc3nonc3C)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952864609 JHCZPPWTFMHYOW-ZEQRLZLVSA-N 522.562 1.553 0 50 KDAA CC(C)Cc1ccc(C(=O)N[C@H]2CCCNC(=O)CN(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC2=O)cc1 1704318657 QJPMCRBIXJPDQW-CSLKCKJJSA-N 662.832 1.725 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321633 CXSOLAXFXDHSRE-NVSKSXHLSA-N 714.842 1.048 0 50 KDAA Cc1nonc1C(=O)NCC(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1775983830 CRFNVOBPXBTODS-CYFREDJKSA-N 663.717 1.352 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)[C@H]1CCC(=O)N1)CCNC2=O 1875242191 MBVHXAOPKZQQHW-AJTFRIOCSA-N 603.680 1.697 0 50 KDAA CC(=O)O[C@]12CO[C@@H]1C[C@H](O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](O)C[C@@](O)([C@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C 245190608 YWLXLRUDGLRYDR-ZTYTXICYSA-N 544.597 1.082 0 50 KDAA biogenic Cc1cn(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)nc1O 1704326087 WIYZZQUSZIEUTN-TZFWCWEWSA-N 701.825 1.573 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(Cc2cnc(=N)[nH]c2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533874 JOCXKCPUJALABD-HSZRJFAPSA-N 520.638 1.684 0 50 KDAA Cc1cc2nc(CCC(=O)N3C[C@@H]4NC(=O)c5ncccc5OCCn5cc(nn5)CO[C@H]4C3)[nH]c2cc1C 952857639 QDEQLTSQWUMLIC-GMAHTHKFSA-N 530.589 1.717 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)C(C)(C)OC)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952864219 MHBYMUIKBVIYEU-SYQUUIDJSA-N 693.842 1.648 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CN(C(=O)CCc2c(C)noc2C)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704319603 XQYZKLHCGMCNMI-TYBFRTPYSA-N 713.902 1.182 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3n[nH]c4ccccc34)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704326833 OTYGWJHCWVLUME-OZBXUNDUSA-N 647.777 1.931 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)Cn2cnnn2)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857688836 IZYUCDVNORHHJV-HJEVSJOPSA-N 725.855 1.473 0 50 KDAA COc1ccc2cc1OCCCCN(C(=O)CCCS(N)(=O)=O)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704321725 XKXISIONICOYPV-QHAWAJNXSA-N 522.668 1.407 0 50 KDAA CCn1ccc(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 1704321893 CYLFIJXUGHYHRJ-XZQSQWLPSA-N 693.875 1.498 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@H](C)O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775977637 INNUYVBCGDEAKF-ZJBJCVSYSA-N 568.656 1.611 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1ccccc1-c1nc[nH]n1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857741258 KSPPUGBVDUIVMT-NEKDWFFYSA-N 726.791 1.492 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCN(c3nc4ccccc4s3)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952865455 YOEQICLHRTWCKX-TXMFPYTGSA-N 689.839 1.701 0 50 KDAA Cc1cc(=O)cc(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)[nH]1 1704319560 WMYLDJPFVVLAKW-WTWMYVDVSA-N 773.917 1.743 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1ccon1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704323068 OPFCCGKEGWYMTC-YRHDVGGASA-N 676.771 1.688 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCc1cn3ccncc3n1)C2 1857698734 GLBZLCZGPGXXIT-PMERELPUSA-N 577.686 1.378 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3cn[nH]c3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857741263 KYRLYMCLYMDNBX-NUOAGLAWSA-N 671.715 1.834 0 50 KDAA O=C(C(=O)N1CC[C@](O)(c2ccccc2F)C1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1875329281 ONCGJJVAADEBBM-AREMUKBSSA-N 525.968 1.794 0 50 KDAA COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccccn3)N(C/C=C/c3ccc(OC)cc3)C2)c1C(=O)OC 102432031 RZVCFUWZAISKQA-RGVSTGCNSA-N 534.573 1.900 0 50 KDAA CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@H](CC(=O)OC)C(=O)CF 301320226 YPIHFMWAHMPACV-CSKJTKHFSA-N 652.717 1.493 0 50 KDAA CC[C@H](C)[C@H]1NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(OC)c(c2)OCCCNC1=O 1775979171 IVYBZRBYRGOEHE-NDIWIEOSSA-N 538.645 1.972 0 50 KDAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(C(=O)Cn1cnnn1)CCNC(=O)CC2 1857725821 OIPBVJWXZWLRAR-JOCHJYFZSA-N 563.615 1.278 0 50 KDAA Nc1cc(N)nc(SCc2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2-c2ccccc2)n1 2705131 GZCGIHDWQZJCJH-UHFFFAOYSA-N 543.660 1.892 0 50 KDAA CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N[C@H](CCCN=C(N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1 140751676 XYZOMPCEZFRTOR-RTBURBONSA-N 564.644 1.127 0 50 KDAA CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](C2)C[C@H]2O[C@H]4C[C@H](C5=CC(=O)OC5)[C@]5(C)C(=O)[C@H](O)[C@@H]3[C@@H]2[C@]45O)O[C@H](C)[C@H]1O 257347189 XYPIGUUTGMMFPH-MTOFBLFXSA-N 562.656 1.276 0 50 KDAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N3CCN(S(C)(=O)=O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 263586943 ZYEYQLCLTKAMDI-NRFANRHFSA-N 588.683 1.379 0 50 KDAA biogenic COc1ccccc1CC(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O 952866032 XIVQICNRDYECBL-VWLOTQADSA-N 544.656 1.928 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(C)=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704339892 OCDJIOWXPBZROM-NVMQPKSPSA-N 731.895 1.970 0 50 KDAA Cc1onc(-c2ccccc2)c1C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)c2cc(ccn2)NCCNC(=O)C1 1857739945 AHLDXJOAXSGHGC-DEOSSOPVSA-N 547.616 1.600 0 50 KDAA C[C@@H]1NC(=O)CN(C(=O)CCn2cnnn2)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356139120 BBARYGWHASUPKW-FQEVSTJZSA-N 572.630 1.240 0 50 KDAA COCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704321446 PBQMNSQDQPQJHI-KEKPKEOLSA-N 607.752 1.948 0 50 KDAA OCCOCCOCCOCCOCCOCCOCCOCCOCCOCc1ccccc1 90411676 GMSWKGHIOXBMJE-UHFFFAOYSA-N 504.617 1.328 0 50 KDAA CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)OCc1ccccc1 216182873 AMVPQXWWHXMIJM-MOBIUZRASA-N 659.784 1.885 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cn3nc(C)cc3N)C[C@@H]1OCc1cccc(c1)O2 952856207 ANXSRLJIPKUCTF-SVBPBHIXSA-N 621.695 1.820 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(S(=O)(=O)c3c(C)noc3C)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322034 CZJBCLMPVNYLJG-FDJWOJMMSA-N 676.837 1.696 0 50 KDAA COc1ccc(CC(=O)N[C@H]2CCCCNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)NC2=O)cc1 1704337617 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CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)[C@H]2Cc3ccccc3CN2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772703957 FMVRRDOKTWQRSU-PDZBSLMJSA-N 657.772 1.224 0 50 KDAA CC[C@@H]1NC(=O)CN(C(=O)[C@H]2COCCN2C)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775983946 WQVJOJJXHWSIMO-HTGHOQDLSA-N 727.867 1.247 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c2ccc(F)cc2Cl)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857689071 FMRMIFLAZMIKGX-DOYMOWJKSA-N 678.121 1.942 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)C1CCOCC1 2100533075 YLULZQCZBMVLSW-FCHUYYIVSA-N 501.624 1.991 0 50 KDAA COc1ccc(OC[C@H](O)Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 634874 XPUQSYQHXJEOJH-LJQANCHMSA-N 506.563 1.198 0 50 KDAA CCc1ccccc1CN1C[C@@H]2CC(=O)NCCN(C)C(=O)c3cccn(c3=O)Cc3cn(nn3)[C@@H]2C1 952857628 SKLVIBUYVRUBJG-XUZZJYLKSA-N 503.607 1.316 0 50 KDAA COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC2=O 952862093 KVGYCMDNMMHRGZ-XZOQPEGZSA-N 566.684 1.965 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2cccc3c2OCCO3)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704322191 KFJRJMGOJCGBQM-QURRFSBHSA-N 607.708 1.135 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(=O)O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 2671476 XRTCDGROPHYTHN-SADKCHQCSA-N 519.535 1.218 0 50 KDAA CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C[C@@H](O)CN(C)S(C)(=O)=O)cc2ccccc21 100374472 HXLOHDZQBKCUCR-WOZUAGRISA-N 504.653 1.560 0 50 KDAA investigational CCN1C[C@@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@@H](OC)[C@@]34[C@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@H]6OC)[C@@](O)([C@@H](OC)[C@H]32)[C@@H]14 257361237 NXAZXMKMGPWXII-QBSXFNPLSA-N 699.842 1.586 0 50 KDAA CCOc1ccc(CCCC(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1C 952862598 BSYZSIMPQCXWAI-JYFHCDHNSA-N 589.697 1.810 0 50 KDAA CCOc1ccc(CCCC(=O)N2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)cc1C 1615702649 BSYZSIMPQCXWAI-BVAGGSTKSA-N 589.697 1.810 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc(C)nc(C)n3)C[C@@H]1NC2=O 1704322095 FJXBMVMWVFSPCD-DHLKQENFSA-N 531.569 1.813 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)C2CCOCC2)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772713770 RMJIKDVJKMGIJQ-FSYRHIKOSA-N 675.827 1.945 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(S(=O)(=O)c3c(C)n[nH]c3C)C[C@@H]1NC(=O)CC2 1772714453 RFBUHAAJQKBHMZ-DHLKQENFSA-N 583.667 1.613 0 50 KDAA CC(C)c1cc(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c4cc(-n5cccn5)ccc4Cl)C(=O)N3C2)no1 1857688817 DXFLETLSQSJKEM-ITAOHFDISA-N 711.176 1.785 0 50 KDAA O=C1CCCN(C(=O)c2onc3ncccc23)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857740594 LPNJGSFSXXAQEM-DEOSSOPVSA-N 584.637 1.539 0 50 KDAA COc1cn(C)c(C(=O)NC2(CO)CN(C(=O)c3sc(Br)c(Br)c3C)C2)cc1=O 2325877568 UVDGRIUNDAPKRI-UHFFFAOYSA-N 549.241 1.906 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(Cc2nccn2C2CC2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772702069 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CCOc1ncccc1C(=O)N1CCCC(=O)N(CC(C)C)CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCC1)C2 1857726447 RDSCMCSISCWUAQ-NRFANRHFSA-N 581.718 1.680 0 50 KDAA Cc1ccc(C(=O)N[C@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c(-n2cc(CN3CCOCC3=O)nn2)c1 2325871606 RSHOHOBTVFBIPC-GOSISDBHSA-N 526.594 1.443 0 50 KDAA CCOc1ccc(C(=O)N2C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C2)cc1Cl 952857796 XVSWMSWKVQWOHV-RXVVDRJESA-N 512.954 1.957 0 50 KDAA CCCC[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952862593 PGEXVKUCXDFNQH-PBWWRKFESA-N 640.141 1.522 0 50 KDAA COc1cc(OC)cc(C(=O)N[C@H]2Cc3c([nH]c4ccccc34)SC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC2=O)c1 952870208 XSTVHLGGFKFQBC-BRXHIZSOSA-N 754.863 1.103 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc4c(c3)CCO4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321275 GVAAHNJWRNMBSB-KZNIJNHCSA-N 649.789 1.990 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CCc2nc(-c3ccco3)no2)C[C@H]2OCC[C@H](NC1=O)[C@@H]2O 1704344149 OLIOIGREAMRSCD-JCGXPROWSA-N 772.860 1.470 0 50 KDAA NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@@H](NC(=O)c3cc4c(C(=O)O)cccc4o3)C2)cc1 2325899427 DJYMIFYXMLXSTD-OAHLLOKOSA-N 500.533 1.611 0 50 KDAA C[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(=CC[C@H]4[C@@H]5C[C@@H]6O[C@]7(CC[C@@H](C)CO7)[C@@H](C)[C@]6(O)[C@@]5(C)CC[C@@H]43)C2)[C@H](O)[C@H](O)[C@H]1O 253592082 WHWWQGPCTUQCMN-QEGKHCRGSA-N 738.912 1.505 0 50 KDAA biogenic O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)c3cccc(F)c3O)CC2)C(=O)N[C@H]1Cc1ccccc1 952868405 NFUSTMFXHLFQLG-QHCPKHFHSA-N 534.592 1.835 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1cc3ncccn3n1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704316893 DHUOTBMVRNGWET-ITAFUGMPSA-N 726.835 1.742 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(Cc2ccc(-n3ccnc3)cc2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704341604 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687.842 1.717 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)CN3Cc4ccccc4C3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704337768 ZFRAKWBEMKSNRZ-CUNXSJBXSA-N 563.699 1.714 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)CCCN2CCCC2=O)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772706082 XQQJCVMKYOUBIP-RVSHUPLBSA-N 716.880 1.921 0 50 KDAA C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 1848443722 SKHJNNFXCKTDBG-SUPDHFEKSA-N 708.886 2.000 0 50 KDAA COc1cc(CC(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@H](CO)NC2=O)cc(OC)c1OC 1857701631 RYQMELIMSUWSJK-FAQZDJIUSA-N 729.791 1.104 0 50 KDAA CC(C)C[C@@H]1N[C@H](C)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O 98052509 HTXNHRVBQSWFDI-UCBAHZDZSA-N 744.938 1.727 0 50 KDAA in-vitro CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2-c2nc(C)n[nH]2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253501530 RWNFLHGSTOGXTJ-KHYDEXNFSA-N 505.480 1.242 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3ccccn3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323405 VHTUOWUDXGIJBD-CVDCTZTESA-N 509.607 1.407 0 50 KDAA COc1nc2ccccc2nc1CCC(=O)N1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCO[C@H](C1)[C@H]2O 1704324043 VEMBLHAQXDPAKC-SYOGMPFGSA-N 745.878 1.153 0 50 KDAA Cc1nn(CC(=O)N2CCc3ncn4c3[C@@H]2c2cccc(c2)OCCCNC(=O)C4)c(=O)c2ccccc12 1775978825 VYXSKOCDWFIXLP-SANMLTNESA-N 512.570 1.974 0 50 KDAA COC(=O)c1cc(OC)cc(C(=O)N2CCCNC(=O)c3cc(Cl)ccc3OCCNC(=O)C2)c1 1857701269 KNPDJDKDRIKREI-UHFFFAOYSA-N 503.939 1.906 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)C4CCOCC4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533236 HCJDARFQAJHFTG-HKGUVJOISA-N 524.662 1.505 0 50 KDAA CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)ccc12 951727057 WRRALPZPVSHMKU-SHCPDRCTSA-N 527.618 1.817 0 50 KDAA C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)N(C(=O)c2ccccn2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 1704317966 LRXPGYRRLSMFNK-IVBVTWBMSA-N 623.714 1.483 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)Cn1cnc3ccccc3c1=O)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772817627 PQXVPVZWDRVBIY-NSJVFKKDSA-N 669.787 1.666 0 50 KDAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)C1CCOCC1)CCNC3=O 1775979793 YVBHWYXPFZEWIH-RNAHPLFWSA-N 687.842 1.972 0 50 KDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C(=O)CCS(=O)(=O)c1ccccc1 1857709051 BGNWXSUTKLPGPH-RBUKOAKNSA-N 517.579 1.678 0 50 KDAA CC(=O)NCCCC[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 49877706 YLJRILGAXBHXDZ-GOTSBHOMSA-N 557.648 1.498 0 50 KDAA in-vitro CCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1 249690752 KTNMCEHJGUQNFK-VZWAGXQNSA-N 534.591 1.713 0 50 KDAA C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@@]12C 257360750 CQGUDVRRZKLXFR-VAJRHXGTSA-N 756.971 1.203 0 50 KDAA COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1oc(C)nc1C)CCCNC2=O 952857353 PIDCBZKDGJBTLH-SFHVURJKSA-N 543.621 1.698 0 50 KDAA COc1cc2c(cc1CN1C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C1)CCC2 1616068083 VBSUMBRTJJIQSP-BWKNWUBXSA-N 545.644 1.250 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3c[nH]c(=O)cn3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704318500 OTUKMTVZKLNDCR-FNMIVORJSA-N 811.941 1.347 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)CCOc2ccccc2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704321435 OPZCANLAXGKBEC-IXLXJOPFSA-N 593.725 1.519 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)CN2CCCN(C)CC2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704321494 QSZIASIIVMTXLQ-HOSFBAFGSA-N 793.008 1.070 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccccn2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704321582 APPGBWAEEGALAT-AQSCLIQHSA-N 683.810 1.615 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)Cc2ccc(F)c(F)c2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704323228 CVQCQRBENZJZLA-YZDYNJBFSA-N 645.773 1.960 0 50 KDAA COc1ccc(C(=O)N[C@H]2Cc3ccc(cc3)OCC(=O)NCCN(C)C(=O)[C@H](CC(C)C)NC(=O)CCCNC2=O)cc1 1704324059 VWMAVDHGYMZRHF-SVBPBHIXSA-N 609.724 1.431 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(Cc2cnc(N3CCOCC3)nc2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713845 UHXWGASUVJCLHC-RVQNBHMFSA-N 709.808 1.007 0 50 KDAA O=C(CCC(=O)N[C@@H](CO)Cc1ccc(I)cc1)N=c1ccc2nc(O)[nH]c2[nH]1 2325860939 ZTUMBBWHTLOCLV-CYBMUJFWSA-N 509.304 1.129 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(S(=O)(=O)c1cn(C)cn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952857199 JBCZVOSALUYPIH-VWLOTQADSA-N 636.735 1.194 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CCC2(C)CC2)C[C@@H](c2ccccc2)NC1=O 1704318651 OZPBKQXSNGOWIO-YURATHNJSA-N 656.784 1.942 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(CCCOc2ccc(C(N)=O)cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713528 OURITIOLTLPUMH-HCLMJZEPSA-N 675.787 1.551 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CCNS(C)(=O)=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817477 MYJRXSZMJURNMR-CYFREDJKSA-N 645.764 1.170 0 50 KDAA O=C1CC[C@H](N2Cc3c(cccc3S(=O)(=O)N3CCC4(CC3)OCCc3ccsc34)C2=O)C(=O)N1 2325898940 FVCSXCPPWBJCEH-SFHVURJKSA-N 515.613 1.762 0 50 KDAA CO[C@H]1C[C@H](O[C@@H]2[C@@H](C)C(=O)O[C@H](C)[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@]3(CO3)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@H]3O)[C@H]2C)O[C@@H](C)[C@@H]1O 85432018 RZPAKFUAFGMUPI-QESOVKLGSA-N 687.868 1.909 0 50 KDAA biogenic,in-man COc1cc(C)c2c(=O)cc(CC(C)=O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1 85530008 WRLXHKDQSQMWSH-ZTUNSOAWSA-N 554.548 1.726 0 50 KDAA biogenic,in-vitro CC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)C(=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]43)C2)O[C@@H](C)[C@H](O)[C@H]1O 255250784 OCAMOXMEKMIFIR-BDMYDKAUSA-N 897.065 1.424 0 50 KDAA biogenic COc1ccc2c(c1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cn(nn1)CCCO2 952858503 AHILQUHGQFLBRK-KWTBFXGESA-N 619.723 1.762 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)C(C)(C)N2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713785 SNWVSLKVWOHNSO-BVPJJHLOSA-N 761.921 1.158 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCc1cccnc1)C2 1857697418 UOOXLZHEXIOJSD-LJAQVGFWSA-N 537.661 1.730 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(Cc2ccncc2)CCNC(=O)COc2cccc(c2)C1 1857700864 IZLRCWSHCFPDDZ-NDEPHWFRSA-N 526.634 1.727 0 50 KDAA 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@]1(C)O 253487612 MQTOSJVFKKJCRP-OWACVTQLSA-N 748.996 1.901 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CN(C(=O)c2cc(C)nc3c(C)cccc23)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 952870307 ZZFYDWAMZCHTDJ-RGVJAJSTSA-N 656.784 1.644 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(Cn3nc(C)cc3C)c2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704321676 VCDABGSPUAZQLY-YAMNRBRJSA-N 770.932 1.426 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772704438 UCRKRZYGZOYDIX-VYKTZEHYSA-N 737.884 1.216 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1ccccn1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857706258 MXSDOGOXKFABET-BKMJKUGQSA-N 660.728 1.102 0 50 KDAA CC(=O)c1c(C)nn(CCC(=O)N2[C@H]3CC[C@@H]2CNC(=O)c2cc(F)ccc2OCCNC(=O)C3)c1C 1857740365 GMCXYHZIZCZVSW-VQTJNVASSA-N 513.570 1.920 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 248042908 VOEBONRNAWTOGV-BTMIILLNSA-N 564.617 1.451 0 50 KDAA Cc1ncsc1CCC(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cn2nn1 952857520 WAQMDYIMSPQTSI-LNEBKTTKSA-N 592.726 1.316 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2cnccn2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952862018 KJLQLBCMTYMYCG-BHDXBOSCSA-N 667.771 1.373 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CN2CCCCCC2)CCN(C)C(=O)[C@@H](C)NC1=O 1704321677 VCEWGSYRXSSOSJ-UUKVNIOTSA-N 724.929 1.484 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cnc(-c3cccnc3)nc2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704337188 SIZWWTGEKZDBEH-KALOGZRKSA-N 794.914 1.143 0 50 KDAA C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]45C[C@@]35CC[C@]12C 1775966421 CQGUDVRRZKLXFR-WXDYLWPUSA-N 756.971 1.203 0 50 KDAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2cnc4cccnn24)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857703170 MCUDWQOYSJRYRN-GJZUVCINSA-N 738.806 1.551 0 50 KDAA Cn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCc1ccccc1)C(=O)CCCN(Cc1ccccn1)CCNC2=O 1857724868 QICFVVCNSZWSFG-DEOSSOPVSA-N 557.699 1.886 0 50 KDAA O=C(C(=O)N1CC[C@@](CO)(c2ccccc2)C1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1875329372 SIJYNIOGJAEMIY-HHHXNRCGSA-N 522.005 1.697 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(c3cc[nH]c(=N)n3)C[C@@H]1NC2=O 2356162191 BJVRFUCGTMIZHU-VQTJNVASSA-N 504.547 1.363 0 50 KDAA CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)NCC(N)=O 150484907 WJZKBWUZYSGXBV-VXKWHMMOSA-N 636.658 1.439 0 50 KDAA CCN1C[C@@]2(COC)[C@H](OC(C)=O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H](O)[C@H]6OC)[C@@H]([C@@H](OC)[C@@H]23)[C@@H]14 257531445 RIPYIJVYDYCPKW-VGASYUPPSA-N 687.783 1.219 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)CCSc2ccc3c(c2)OCCO3)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952868463 PFXORZCKIWKZLZ-YXMNTCDSSA-N 661.785 1.872 0 50 KDAA CCc1ccc(CCCC(=O)N2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)cc1 1616092779 YBVHGHANNPMFHN-BVAGGSTKSA-N 559.671 1.665 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)C2CCN(C(=O)C3CCC3)CC2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772702702 ISSSCAYHPVAKHW-FXZLDBAYSA-N 725.847 1.745 0 50 KDAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)[C@H]2CCCO2)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857704222 IZUYHYXVDDZLBA-NKPLSRDGSA-N 691.786 1.373 0 50 KDAA CN(C)CCCC[C@@H]1NC(=O)c2cccc(c2)OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952858111 UXTYCFCOZVKZPW-IZZNHLLZSA-N 547.660 1.545 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)NC[C@H](O)CO)NC1=O 952861883 FUVNXBMVJKZISI-UGIQSDBZSA-N 648.732 1.929 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)CCc1c(C)noc1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952863179 GNASBEMEDNARAI-RKBFCLKKSA-N 728.888 1.886 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704332571 SVQSWJRUAWXOKR-RYCXQYRLSA-N 712.870 1.488 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)C2CCC2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713645 NXUBSHVXZQEDCJ-KWTBFXGESA-N 614.703 1.506 0 50 KDAA NS(=O)(=O)c1cccc(-n2cc(C3(O)CCN(C(=O)[C@@H]4CC(=O)N(c5ccc(F)cc5F)C4)CC3)nn2)c1 2325853271 KCHTYJANIAXKFN-OAHLLOKOSA-N 546.556 1.056 0 50 KDAA CC(=O)O[C@]12CO[C@@H]1C[C@H](O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C 245190605 YWLXLRUDGLRYDR-NUMIJKHRSA-N 544.597 1.082 0 50 KDAA biogenic COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(S(=O)(=O)c3ccc4c(c3)CCCN4C(C)=O)C[C@@H]1CC(=O)NCCN(C)C2=O 952868726 SAOMHVXKDGKUEO-WXVAWEFUSA-N 651.746 1.619 0 50 KDAA CC[C@H]1CN(C(=O)c2ccoc2C)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704316013 IPNRAZPESKCVCK-FISOAXRRSA-N 567.687 1.702 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cccc(N)n3)C[C@@H]1NC(=O)CC2 1772816780 AOWAIXZJIZQYIG-DHLKQENFSA-N 545.596 1.702 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)[C@@H]3COCCN3C)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857707774 JHHSUOFCKUTFKZ-BIKYAKHESA-N 704.785 1.128 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)Cn1cc(C)c(O)nc1=O)CCNC2=O 1875242470 UUGYXPRBWUXZLQ-MUUNZHRXSA-N 658.716 1.689 0 50 KDAA CCOC(=O)CCCNC(=O)[C@@H](N(C[C@H](F)CO)C(=O)c1cc(CCCO)on1)C1(C(F)F)CCC1 2325838915 CSNPNJAIVXAEEB-HNAYVOBHSA-N 521.533 1.636 0 50 KDAA COc1ccc(OC)c(S(=O)(=O)N2CCN(CCOc3cccc(CN(C)C[C@H]4CCC(=O)N4)c3)CC2)c1 101153569 BFYQCVVOTOVYFC-JOCHJYFZSA-N 546.690 1.800 0 50 KDAA 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@]1(C)O 253487611 MQTOSJVFKKJCRP-FMJTXRJKSA-N 748.996 1.901 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2cc(C(C)C)on2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952857269 UNYMPIMCORCIMA-XUHJDFEOSA-N 670.808 1.675 0 50 KDAA Cc1cc(C(=O)N2CCCNC(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]2C)cnc1C 1704316689 ANUDZCBIGTWKTF-PWMMPXSUSA-N 578.714 1.376 0 50 KDAA CC(=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 1704322441 IEWHGYAXOKYALM-CGHCAQJWSA-N 571.719 1.382 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2ccncc2F)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772703991 RFIDUAUIADPKSJ-UKDVSSAZSA-N 621.670 1.358 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)[C@H]1CCC(=O)N1)CCCCNC2=O 1857704593 YQMMPIFQXXLYBA-KPURRNSFSA-N 623.707 1.884 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3ccccc3)CCCC1=O)C2 1857724575 IFVNZPDLLOSIIE-QFIPXVFZSA-N 536.677 1.886 0 50 KDAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(C(=O)c2ccncc2)CC(=O)N[C@H]1C 2356163144 ZLUBJGFJBMPBFW-XKDCRVNJSA-N 512.563 1.426 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(C(=O)C3CCN(C(=O)c4cccc(Cl)c4)CC3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952866534 BHIBJMJZTFOOAO-BKMJKUGQSA-N 635.125 1.285 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@H](Cc2ccccc2)NC1=O 1704319930 ZJUKXRSYMXKQMX-DIKZQZFXSA-N 619.719 1.164 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3ncc[nH]3)C[C@@H]2Oc2ccc(cc2)CN1 1772705302 WISFSZWTQHPXEK-ZEQRLZLVSA-N 531.569 1.909 0 50 KDAA O=C1CCCN(C(=O)c2ccc3c(c2)CCO3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857740270 LGDDWRGQDPVAOX-MHZLTWQESA-N 584.677 1.938 0 50 KDAA CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@]1(O)CC[C@H]1[C@@H]2[C@H](OC(C)=O)C[C@@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 257357078 LWEDMLOAXCZSBB-XLCHTBFNSA-N 606.665 1.916 0 50 KDAA CC(C)(C)OC(=O)N(CCOCCOCCOCCC(=O)O)CCOCCOCCOCCC(=O)O 575440668 HVRLCVIGYIBUGD-UHFFFAOYSA-N 525.592 1.273 0 50 KDAA CCn1c(C)cc(C)c(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)C2)c1=O 952869046 HEQABSAFSZCPAY-YYXXCONNSA-N 695.821 1.840 0 50 KDAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)CCCn3cncn3)CCCNC2=O)N(C(=O)c2ncoc2C)C1 1704317952 LMTJJLUPBXXCJD-ZEQRLZLVSA-N 636.710 1.584 0 50 KDAA COc1ccc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)cc1OC 1772713869 UVWJODIEGVXJIA-QLCOJLISSA-N 671.751 1.435 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)CCc1c(C)nc3ncnn3c1C)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714081 YXCPULVYBVEAIM-BPXGCVMRSA-N 742.886 1.058 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)[C@]34[C@H]5C[C@H]6[C@@H](OC)C[C@@](O)([C@@H]5[C@H]6O)[C@](O)([C@@H](OC)[C@H]23)[C@@H]14 1772820420 GVZZOVYQNAEUTQ-DSNUAQLDSA-N 614.736 1.440 0 50 KDAA C[C@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3cc(-c4ccccc4)nn3-c3ccccc3)C[C@H](CNC1=O)O2 1857688914 JJBXWACBJVPNDS-ZXHBAXHHSA-N 677.762 1.569 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3cccc(N(C)C)c3)CCCC1=O)C2 1857725234 YCAAQDCGEYKKQM-DEOSSOPVSA-N 579.746 1.952 0 50 KDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 2100534064 RWRYKIXSUZEZQP-MUUNZHRXSA-N 631.782 1.972 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)c1cccc(O)c1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952868733 SDPFVZMZRMWFPO-RKYHASQBSA-N 699.765 1.093 0 50 KDAA Cn1ccnc1SCC(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O 952868913 VIXYRVWPHCGTNI-QFIPXVFZSA-N 550.689 1.203 0 50 KDAA CCn1nc(C)cc1C(=O)N1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1704321118 CVPIRAPCLGODBH-OFVILXPXSA-N 533.585 1.931 0 50 KDAA Cc1nc(O)cc(CN2C[C@@H]3NC(=O)c4cc(cc(C(=O)N5CCCN(C)CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)n1 1772714234 GUELMUGUQYUQBH-VMPREFPWSA-N 629.718 1.339 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CCn2cnnn2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775982630 MJFQPTJKKXJFMA-CYFREDJKSA-N 620.696 1.307 0 50 KDAA Cc1[nH]c2ccccc2c1CC(=O)N1CCCC(=O)NCCOc2ccc(F)cc2C(=O)N[C@@H](CCC(N)=O)C(=O)NCC1 1857706251 MDWRXRNLLGTXLX-VWLOTQADSA-N 608.671 1.456 0 50 KDAA CC(=O)N1CC(c2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)C1 1875383202 LAADNRCGUBZYMK-UHFFFAOYSA-N 508.604 1.900 0 50 KDAA Cc1ccc2cc1OCCCn1cc(nn1)Cn1cccc(c1=O)C(=O)N1C[C@@H]3CC[C@H]1CN(C3)C2=O 1704321753 YEBAJAJJLQWVEH-KNQAVFIVSA-N 502.575 1.956 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc3nc(C)c(C)nc3c2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704340786 ULBRHTCNSNNHBV-ZAMKSPALSA-N 742.878 1.124 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(c3nnnn3-c3ccccc3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356160061 BDZZXJGIXHQVPV-AHWVRZQESA-N 571.594 1.754 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC)[C@](O)([C@@H](OC)[C@@H]23)[C@@H]14 249690271 KFXVNXQXPRPLQA-XEBWFFHLSA-N 668.784 1.789 0 50 KDAA CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(N)=O)C(=O)O)CC1 252695294 XWMGOTZRAYVIFZ-YHUYYLMFSA-N 502.634 1.000 0 50 KDAA biogenic CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCCN(C3Cc4ccccc4C3)CC2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952864894 NNWZQJDJBWXXTB-CWXAXIJQSA-N 686.854 1.445 0 50 KDAA O=C(COC(=O)c1nnc(O)c2ccccc12)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl 952961794 FYYLRBXZULCSAO-UHFFFAOYSA-N 506.924 1.805 0 50 KDAA CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCCC(=O)N(CCc4ccccc4)CC(=O)N[C@H]4CCc5c(c(nn5C)C(=O)NCC3)C4)cc21 1857726161 HLBZXMHAHNMZMG-SANMLTNESA-N 705.838 1.425 0 50 KDAA COC(=O)c1cc(S(=O)(=O)NC(=O)Cn2cc(Br)ccc2=O)ccc1Br 1875327380 XAPGRTRXSDKYLF-UHFFFAOYSA-N 508.144 1.665 0 50 KDAA COc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCN(Cc2nc[nH]n2)CC1 2325842805 JBFQOLLMSGWUJN-OAQYLSRUSA-N 541.634 1.006 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(c3cc(C)[nH]c(=N)n3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356160985 ATYMTBISOQPIQL-GMAHTHKFSA-N 534.573 1.290 0 50 KDAA COc1ccc(CCNC(=O)CSc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OC 9427182 MBNINJWUSCFEFB-UHFFFAOYSA-N 504.613 1.013 0 50 KDAA C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)Nc1ccc2ccccc2c1 150655413 VGQZQSPQIKXUFM-KWTBFXGESA-N 660.780 1.589 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)Cn3nc(C)c4ccccc4c3=O)C[C@@H]1CC(=O)NCCN(C)C2=O 1704323085 TUHORGQIJJMPRY-NBGIEHNGSA-N 614.663 1.176 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCCN3CCCC3=O)C[C@@H]1NC2=O 1704324873 WXWIKYBEKHOIBN-DHLKQENFSA-N 550.612 1.495 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)Cn3nc(C)cc3C)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704326681 LEJVQWZDASTMFS-URXFXBBRSA-N 540.665 1.212 0 50 KDAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccc(=O)n(C)c2)CCNC(=O)COc2cc(ccc2OC)C1 1857688886 WLVJAOXUCKOYIG-JGCGQSQUSA-N 610.708 1.833 0 50 KDAA CC(C)C[C@H](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)NCC(N)=O 504424077 IRZIRGSTEJPVHR-OIBXWCBGSA-N 678.784 1.190 0 50 KDAA biogenic CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc(Cn3cnnn3)cc2)CCNC1=O 952856154 NZQLUDPVYYRQFS-AREMUKBSSA-N 618.674 1.490 0 50 KDAA Cc1nc2ncccn2c1C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CC1 952857171 INXWVJXPWQUYKS-CQTOTRCISA-N 720.835 1.934 0 50 KDAA COCC(=O)N1C[C@@H]2c3ccc(OC)c(c3)OCCN(C(=O)c3cccc(N(C)C)c3)CCCNC(=O)[C@H]2C1 1875242699 YEQKXHOKSWAVJP-RPWUZVMVSA-N 538.645 1.991 0 50 KDAA COc1ccc([C@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)nc3ccccn3c2=O)cc1 2049511893 GJMSKLLCBJCTCC-IBGZPJMESA-N 527.537 1.750 0 50 KDAA COC(=O)c1nnn([C@H]2C[C@@H](C(=O)NCc3ccco3)N(Cc3ccc(F)c(F)c3)C2)c1C(=O)OC 12203759 FFFWEHUOYMPCAY-KSSFIOAISA-N 503.462 1.855 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3noc4c3CCCC4)C[C@@H]1NC2=O 952859590 YPSJHIYTXWDHJZ-AVRDEDQJSA-N 508.535 1.386 0 50 KDAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(C)=O)CCCNC(=O)COc2ccc(cc2)C1 1857701885 WTHARNNHZADVSS-AREMUKBSSA-N 505.612 1.459 0 50 KDAA Cc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCCN(C(=O)CN4CCOC4=O)CCCNC(=O)[C@H]3C2)nn1C(F)F 1940194693 GKBSTQCVEWXBHM-RTWAWAEBSA-N 574.585 1.622 0 50 KDAA CC[C@H](C)C(=O)O[C@H]1[C@H](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](C[C@@H](OC(C)=O)[C@@H]3[C@]12O)[C@@]4(C)CC[C@H]5OC(=O)[C@@](C)(O)[C@H](C)OC(C)=O 253487420 KBGNYIWYDYVUFP-AWLJSWSYSA-N 793.948 1.607 0 50 KDAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C 642881786 AFDJSRZVXYKUQT-UHFFFAOYSA-N 640.812 1.965 0 50 KDAA 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 1857707789 KCUOOHSDCKGPRS-KRKXHZOKSA-N 619.679 1.817 0 50 KDAA Cn1c(=O)c2c(nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2CCCO)n(C)c1=O 20518406 RBRAHDXZMMVOLN-UHFFFAOYSA-N 502.619 1.723 0 50 KDAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCOCCN)CCOCCOCCOCCOCCC(=O)OC(C)(C)C 606303087 HDYQXCFGWDQGRX-UHFFFAOYSA-N 845.078 1.910 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2cccnc2)CCNC1=O 952858182 WVEQKLVBFDDPDF-HSZRJFAPSA-N 537.596 1.850 0 50 KDAA Cc1ccc(-c2cc(C(=O)N[C@H]3Cc4ccc(cc4)OC[C@H](Cc4ccccc4)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC3=O)n[nH]2)o1 1704318727 RLUKYXWOXGPUQD-FARNPGCMSA-N 741.846 1.950 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc(-c4nnn(C)n4)cc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323220 CLSZUPGTVHOOCT-KZNIJNHCSA-N 689.818 1.245 0 50 KDAA Cc1noc(C)c1CC(=O)N1CCCCOc2cccc(c2)[C@H]2CN(C(=O)CCn3cnnn3)C[C@@H]2NC(=O)C1 2100534041 QUJNVRCCUXEZNR-RPWUZVMVSA-N 550.620 1.023 0 50 KDAA COCC(=O)N1CCCCNC(=O)[C@@]2(CCCc3ccccc32)NC(=O)CN(CCC(C)C)C(=O)C1 2356137129 GHRXKBSYXAKVJA-MHZLTWQESA-N 500.640 1.594 0 50 KDAA CC(=O)O[C@@]12CO[C@@H]1C[C@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C 169718360 ORKLEZFXASNLFJ-ODBGVJAMSA-N 943.996 1.628 0 50 KDAA COC(=O)C[C@@H](c1cccc(OCC(N)=O)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225420902 XXRCARONACBUIN-LZNRXBQRSA-N 549.580 1.686 0 50 KDAA biogenic COc1cccc(C(=O)N2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC2)c1OC 1704318028 NLDPAAYJQJHBLS-MDQGVCTMSA-N 623.751 1.819 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704322394 GPCNEEHACWNYBZ-FKAWDONVSA-N 671.795 1.659 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CCCc2nc(-c3cccnc3)no2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772702871 VTLQVGRCANXPMO-BXTSTYNKSA-N 741.854 1.974 0 50 KDAA Cc1cc(C)n(CC(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c(=O)n1 1772705575 OCMVIPRUMBGGGY-NSOVKSMOSA-N 601.660 1.746 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2cc(C)nc(C)n2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713686 QJMLYOYHBZVMIP-BVPJJHLOSA-N 740.862 1.768 0 50 KDAA Cc1nc(C)c(C(=O)N2CCc3c4ncn3CC(=O)NCCN(C(=O)Cn3nnc(-c5ccccc5)n3)CC(=O)NCCCOc3cccc(c3)[C@H]42)o1 1800430491 NZYMTPBOXIDVSH-MGBGTMOVSA-N 721.779 1.473 0 50 KDAA CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C 253633171 FAXGPCHRFPCXOO-SPCMNPRMSA-N 685.904 1.467 0 50 KDAA Cc1cccn2c(CC(=O)N3CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc4cccc(c4)OCC(=O)NCCC3)cnc12 952862926 NRVDDBKUSWGVRI-CAJOGKIJSA-N 705.857 1.448 0 50 KDAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCCn2nnc3ccccc32)NC1=O 952869224 MMIPWJGNQVMURX-RVEZHDODSA-N 694.793 1.281 0 50 KDAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)Cn3cnnn3)CC(=O)N1CC2 1704336271 JXVNGQMTDPKBCU-SANMLTNESA-N 522.562 1.102 0 50 KDAA CCn1c(C)cc(C)c(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)c1=O 1772714279 IZJIUFYQSRPBBM-ZWEKWIFMSA-N 703.845 1.619 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)N1CCCC1)C2 1857704085 CTCAKVHWDNUQMB-MHZLTWQESA-N 500.640 1.641 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857707293 LXJLAENULXQXBJ-OUUCOLNRSA-N 769.904 1.489 0 50 KDAA Cc1ccc(C(=O)N2CCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)s1 1875322262 NQBYSXHPXGUHSP-GOSISDBHSA-N 548.108 1.776 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)Cn1ccnc1)CCCNC2=O 2356138058 GGPULVHEOXKZEZ-VWLOTQADSA-N 552.636 1.346 0 50 KDAA CCOc1ncccc1C(=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 1704319269 UQFLVPDZYMIEHJ-XZQSQWLPSA-N 734.880 1.715 0 50 KDAA COCC[C@]1(C(=O)NCCc2ccccc2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1857702567 OEMSXSORTIPPEI-SSEXGKCCSA-N 538.689 1.996 0 50 KDAA Cc1nc2ccc(C(=O)N3C[C@H]4CNC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@@H](Cc5ccccc5)NC(=O)[C@@H](C3)O4)cc2nc1C 1857714407 STUMLRVYLMRDMD-IECRIWKTSA-N 657.772 1.303 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(CC3CCOCC3)CCCC1=O)C2 1875242480 VGLQYOCRDYNCHX-QFIPXVFZSA-N 530.714 1.473 0 50 KDAA CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O 65731292 TZCYVPLNMOJUIL-GULBXNHPSA-N 746.995 1.100 0 50 KDAA in-vitro CC(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)C(C)C 150362070 SDIAHTLXFOCEBF-LJADHVKFSA-N 721.944 1.917 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CCN(Cc1cnc(-c3ccco3)nc1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952864732 LRFJEWJRITWWBP-DFLRLQOUSA-N 737.818 1.797 0 50 KDAA COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(C(=O)CN1CC(=O)NC1=O)CCCNC2=O 1704326810 NLVIGNUBUYLNFE-UHFFFAOYSA-N 555.563 1.537 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)/C=C/c3ccccc3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713168 BPMMHUORRVKKQM-FACMZDPMSA-N 711.816 1.746 0 50 KDAA CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3[C@H](O)[C@@H](O)[C@]3(C)[C@H]([C@@H](C)O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 1772820188 ITPJPPQJMRCTTO-AOUNQRLNSA-N 815.007 1.940 0 50 KDAA CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 97973112 ORICVOOXZDVFIP-MIOLQQMZSA-N 656.641 1.651 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952865534 QENFHAMKVVSKHW-YCRPNKLZSA-N 594.481 1.249 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cn1c(=O)oc3ccccc31)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321900 DFZNYFBBXLOSFO-HHHXNRCGSA-N 590.637 1.645 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccccc3-c3nccn3C)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772702421 SIIXPVHNLLLNHW-VOLIMJSDSA-N 765.868 1.747 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1coc(CN3CCOCC3)c1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714138 BOFDWLBRBQWDPS-PPTMTGTBSA-N 676.819 1.995 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857525502 ZBYDOGVAOZEPSJ-CAIUVPPLSA-N 532.498 1.744 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1cc(-n3cnnn3)n[nH]1)CCCCNC2=O 1857702660 FZOQDTOOLCVHTD-GDLZYMKVSA-N 674.719 1.618 0 50 KDAA CCOC(=O)C1CCN([C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](N5CCC(C(=O)OCC)CC5)C4=O)cc3)C2=O)CC1 59732054 FRNQDCCUPUQVLG-DNQXCXABSA-N 582.654 1.501 0 50 KDAA 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620.684 1.833 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cn3c(C)cc(C)nc3=O)C[C@@H]1NC(=O)CC2 1772714612 ZVBRUEWYHYDCKS-IGKIAQTJSA-N 589.649 1.285 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NS(=O)(=O)c3cnn(C)c3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1800430314 JYRCNPWCTZUWCW-QHYGJLJCSA-N 765.934 1.712 0 50 KDAA COc1ccc2cc1OCC(=O)NCCN(C(=O)c1cscn1)CCCC(=O)NC[C@@](CC1CC1)(C(=O)NCCn1cncn1)C2 1875240040 FXELLHJMCQNLME-HKBQPEDESA-N 652.778 1.436 0 50 KDAA CCCn1c(Oc2cccc(Oc3nc4c(c(=O)n(C)c(=O)n4C)n3CCC)c2)nc2c1c(=O)n(C)c(=O)n2C 1128110 NOPQWNLOMVZRSK-UHFFFAOYSA-N 550.576 1.585 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](O[C@@H]2[C@H](COC(C)=O)O[C@@H](Sc3ccccc3)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 150663641 OJVHDCHVHOISBO-BNZGUUGFSA-N 728.722 1.398 0 50 KDAA CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)O 85590109 RZMLVIHXZGQADB-YLUGYNJDSA-N 745.963 1.544 0 50 KDAA in-vitro CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)OC)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)N[C@@H](CC(=O)OC)C(=O)CF 150344372 YPIHFMWAHMPACV-IREHUOSBSA-N 652.717 1.493 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cn1nc(C)c(C)cc1=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952863015 AKWWXANBHLCRFZ-NDEPHWFRSA-N 656.744 1.472 0 50 KDAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)CN3CCOC3=O)CC(=O)N1CC2 1704321306 IGBYEQYBNCCGLS-HHHXNRCGSA-N 539.585 1.868 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccc3c(c2)CCCO3)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704321427 OIYXLFWMDPGEGP-DVTKYRPYSA-N 605.736 1.689 0 50 KDAA CCc1noc(C)c1C(=O)N1CC(=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 1704321470 PWLYRHHOZXDEBD-BQRPEJFJSA-N 640.782 1.914 0 50 KDAA CC(C)c1nnc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)o1 1772701026 AWUZTSUMEFFVQS-QONNDPFASA-N 675.787 1.852 0 50 KDAA 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CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)CN2CCOc3ccccc3C2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772705831 RZALPCQFTJSOIT-SUHSUELASA-N 687.798 1.404 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1nsnc1C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713899 WQCOHJWCPKSJRG-RDGATRHJSA-N 609.757 1.730 0 50 KDAA C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 1775966466 GHUUTEXYFBCKSM-ASAVPHFBSA-N 738.912 1.361 0 50 KDAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(C(=O)c1cc(=O)n(C)c(=O)n1C)CCNC(=O)CC2 1857725541 BCGRYYPDUDATMU-QHCPKHFHSA-N 619.675 1.303 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)CN3CCOC3=O)C[C@@H]1NC(=O)CN(C)C2=O 952863020 ALZTVLYVVKCXEO-XZOQPEGZSA-N 536.585 1.927 0 50 KDAA Cc1ncsc1CCCNC(=O)[C@@H]1Cc2ccc(cc2)OCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 952864114 XXVQSUXWLLIZEX-JXHHNEAKSA-N 674.824 1.843 0 50 KDAA 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512.563 1.426 0 50 KDAA CCc1ocnc1C(=O)N1C[C@@H]2NC(=O)c3cc(OC)cc(c3)OCC(=O)NCc3ccc(cc3OC)O[C@H]2C1 2356162070 WFVUCOZPUMRAEC-URXFXBBRSA-N 550.568 1.965 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(c3nnnn3-c3ccccc3)C[C@@H]1NC2=O 2356162224 CGFGZKDKAOIXJI-DHLKQENFSA-N 541.568 1.746 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC)[C@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 249690268 KFXVNXQXPRPLQA-BAHZJTCMSA-N 668.784 1.789 0 50 KDAA biogenic CCO[C@@H]1O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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@]3(C)[C@H]2C[C@H]1C 253499140 RDRPORVAKXEYRR-ORRKRVNXSA-N 740.928 1.442 0 50 KDAA biogenic 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@@H](C)[C@H](O)[C@@]1(C)O 669679360 HRKNNHYKWGYTEN-DTSVZZRXSA-N 734.969 1.559 0 50 KDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCC1 1704322139 HXOMOVOMRVSDNW-HOYKHHGWSA-N 511.623 1.967 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)CCn1nnnc1C)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775979059 YXCYDFIJLNZUIB-VWLOTQADSA-N 568.635 1.412 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)CCCC1=O)C2 1857725940 AUYSWDHICWFFEV-DEOSSOPVSA-N 643.811 1.282 0 50 KDAA CNC(=O)c1cccc2oc(C(=O)N[C@H]3CCCN(CC(=O)Nc4ccc(S(N)(=O)=O)cc4)C3)cc12 2325899441 DVKXTHRRIWBXGW-INIZCTEOSA-N 513.576 1.273 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccc3nc[nH]c3c2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772703800 DWZJEWBKROASKF-OREGWCPLSA-N 670.775 1.697 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](Nc2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1857666273 ZQXSFOAPFLRFGY-YVZMWPBGSA-N 725.697 1.027 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(S(=O)(=O)c1ccc3oc(=O)n(C)c3c1)CCCCNC2=O 1857703839 ZNXGCKJLGBLPRI-LMWZEWGUSA-N 824.910 1.778 0 50 KDAA Cc1ocnc1C(=O)N1CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@@H](CC3)N(CCC(C)C)C(=O)C1 1857740457 ONKXMNBKUHDXDE-LJQANCHMSA-N 541.653 1.183 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(c3ncnc4[nH]cnc34)C[C@@H]1NC2=O 2356162743 QNVVARPYNSZXJD-RXVVDRJESA-N 515.530 1.436 0 50 KDAA CN1C(=O)C(Cc2ccc3c(c2)OCO3)(CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)C(=O)N(C)C1=S 263586009 OWXRIQCFUZEGMS-ZWKOTPCHSA-N 508.600 1.441 0 50 KDAA biogenic CN(C)CCCC[C@@H]1NC(=O)c2ccc(cc2)OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952857231 NSZQBNUJNKCHFF-RRPNLBNLSA-N 561.687 1.935 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952865114 MTCBBASANLXWLJ-NIXYAPBQSA-N 577.682 1.059 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)Cc2ccccc2C(F)(F)F)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704319521 WMVJUVDNFDTZDK-ZEOPQAAISA-N 744.812 1.512 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2ccccc2N2CCOCC2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704328342 YXWOMTDSUIYSJP-SSMOCFHSSA-N 680.872 1.590 0 50 KDAA Cc1nc(O)nc(C)c1CCC(=O)N1CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1 1772705781 ZYGZLYBOAHBTSF-CLCZQPDDSA-N 704.833 1.252 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)Cc2cccnc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714211 FXOXVXIHZPABKC-PPJWLVRDSA-N 645.765 1.144 0 50 KDAA CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H](O)[C@@H]1O 26959615 IPSYPUKKXMNCNQ-JRATXPSKSA-N 544.737 1.062 0 50 KDAA biogenic,in-vitro C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4C[C@H]31)[C@]2(C)O 253527821 DHQFYEJMFMYGCV-JXTUJXQKSA-N 591.786 1.711 0 50 KDAA biogenic,in-vitro COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cnc(C)nc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952859659 ZSURMKKMSTXRII-MBBMMDPKSA-N 693.806 1.417 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cn3ccnc3)C[C@@H]1OCc1cccc(c1)O2 952862433 KBIIGJGWLKSZLS-SVBPBHIXSA-N 592.653 1.930 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2ccc(N3CCCC3=O)cc2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704317996 MESCYBUXALMUJC-MZMPXMKISA-N 718.852 1.009 0 50 KDAA CC[C@H]1CN(C(=O)CCc2c(C)noc2C)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704318127 OFARGXQDDCHDFU-PSAFMIEJSA-N 610.756 1.724 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)c2cc(C(F)F)[nH]n2)CCCNC1=O 1704324065 WEGHHIPKRQKYAO-UTSGNWPNSA-N 603.671 1.463 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)CCOC)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704335802 GVHRDZBWWRVYOA-MNWDEFRCSA-N 745.969 1.814 0 50 KDAA Cc1ccc(F)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 1772704751 SQLWQHOAMZCNDY-PPJWLVRDSA-N 698.822 1.816 0 50 KDAA Cc1c(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)[nH]c2c1C(=O)CCC2 1772714487 SRTUKKAGRJRKRZ-PPJWLVRDSA-N 701.829 1.976 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)c2ccccc2NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H]([C@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O 2332925133 MIMIVDMPUMTORB-PCHVVNDTSA-N 777.920 1.109 0 50 KDAA CCOC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 70665882 QOODJIGZPUJBAH-FXAWDEMLSA-N 594.662 1.737 0 50 KDAA biogenic C/C1=C2/N=C(/C=C3\N=C(/C(C)=C4\N[C@@](C)([C@H]5N=C1[C@](C)(CCC(=O)NC[C@H](C)O)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O 169730795 KDSOOGFGGWWVLM-YADGYBFWSA-N 932.181 1.736 0 50 KDAA CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O 253636055 IPSYPUKKXMNCNQ-ZBYUQBLASA-N 544.737 1.062 0 50 KDAA in-vitro CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@H](C(=O)NC[C@H](O)CO)NC1=O 952856721 FUVNXBMVJKZISI-CNTBMXMRSA-N 648.732 1.929 0 50 KDAA COCC(=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 1704322012 BOJMHDIRJJXKOO-LVLVAWRASA-N 761.921 1.596 0 50 KDAA COCC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713959 VOMHDUIEHPRKGG-ZEQRLZLVSA-N 509.559 1.519 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CN3CCN(c4ncccn4)CC3)C[C@@H]2Oc2ccc(cc2)CN1 1772714442 QWRQNGZCMHVYEM-KYJUHHDHSA-N 641.729 1.484 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ncccc2O)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775983834 CRYAQHDTSKWFLO-DFBJGRDBSA-N 593.685 1.936 0 50 KDAA 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]6CC[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[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1857526205 YFGQJKBUXPKSAW-LBWXINOPSA-N 969.128 1.642 0 50 KDAA CC(=O)OC[C@H]1O[C@H](Oc2ccc(C(=O)Cc3ccc(O)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857801071 QKPHMWUSYGCZRT-VFHRMQJUSA-N 574.535 1.985 0 50 KDAA CC(=O)N1CCC(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)CC1 952862767 QRPQUOOSPGUCKC-GMAHTHKFSA-N 531.013 1.499 0 50 KDAA Cc1cccc(N(CC(=O)N2CCCNC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](C)NC(=O)CCC2)S(C)(=O)=O)c1 1704321768 YYFVCIMVWXQKJI-WXVAWEFUSA-N 624.764 1.603 0 50 KDAA O=C1COc2cc(C(=O)NCCn3cncn3)cc(c2)C(=O)N[C@H]2CN(CC(=O)N3CCc4ccccc43)C[C@@H]2Oc2ccc(cc2)CN1 1772702487 CENMEURTEUNLGZ-SMCANUKXSA-N 664.723 1.168 0 50 KDAA CC(=O)c1c(C)nn(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)c1C 1772713560 LYKFYNIGJJILKV-VYKTZEHYSA-N 718.860 1.613 0 50 KDAA Cc1nc(C)c(C(=O)N2C[C@@H]3c4cccc(c4)OCCN(C(=O)CCn4cnnn4)CCCNC(=O)[C@H]3C2)s1 1875241117 OFDVDQRVTAJRJF-YADHBBJMSA-N 552.661 1.420 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)C3CCS(=O)(=O)CC3)C[C@@H]1NC2=O 2356160216 IWQVKMSWBNOOTL-XZOQPEGZSA-N 589.642 1.446 0 50 KDAA Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)NCCO)cc3)n2C)n1 2699813 SSXKGVJGXHMJMI-UHFFFAOYSA-N 523.666 1.516 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)Cc2ccc(F)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772701325 KWHCEZOINNBHBA-QHWMMSMNSA-N 698.822 1.649 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 230028965 GDZJPAKEKJDVRZ-NZURDFQBSA-N 564.617 1.451 0 50 KDAA Cc1nc2ccc(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)cc2nc1C 952857295 LEQAQKQNKLLCAU-LQBCTSRJSA-N 623.718 1.792 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cccc(O)n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952869207 YMAQANYCWNFGRC-AUUGNALLSA-N 694.790 1.419 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1Cc1nc(O)c2cnn(C)c2n1 2100533795 FUYOXWTXBFMSQH-VQTJNVASSA-N 551.648 1.621 0 50 KDAA CC1(C)C(=O)N(C[C@@H](O)Cn2cnc3ccccc32)C(=O)N1CN1C(=O)N(C[C@@H](O)Cn2cnc3ccccc32)C(=O)C1(C)C 101655322 TWHWIJWLWZYMJB-SFTDATJTSA-N 616.679 1.851 0 50 KDAA COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C 220112404 HKJLYJJRQBGHNY-UHFFFAOYSA-N 644.796 1.547 0 50 KDAA C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 253389339 IBZLICPLPYSFNZ-SZHFTFOFSA-N 913.108 1.344 0 50 KDAA biogenic,in-vitro CO[C@@H]1O[C@H](OC(C)(C)[C@H]2O[C@]34C[C@@]5(C)[C@@H]6[C@@H](O)C[C@H]7C(C)(C)[C@@H](O[C@@H]8OC[C@H](O)[C@H](O)[C@@H]8O)CC[C@@]78C[C@@]68CC[C@]5(C)[C@H]3[C@H](C)C[C@H]2O4)[C@H](O)[C@@H](O)[C@@H]1O 253499146 SPEHTZJJRZONBU-GTSAHYRISA-N 782.965 1.557 0 50 KDAA biogenic CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cn3cnnn3)CC[C@H]1OCc1cccc(c1)O2 952864053 KUPWKISJFGZSSK-BJKOFHAPSA-N 549.588 1.252 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 253389991 IPWQJEONCUFCOR-WMAPZIQWSA-N 710.821 1.952 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cccc(N)n2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704327708 GOBPQHMYEBWMKK-QLCOJLISSA-N 758.906 1.724 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)[C@H]1CCCO1)CCCNC2=O 2356134215 DVZUGTLOMGDWEZ-QPPBQGQZSA-N 542.637 1.629 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3cscn3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253500753 WAEKSZJQJUDRCQ-ARXROMJUSA-N 565.553 1.736 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952866014 WOYCRJWTNGWOMR-GLZVIBFHSA-N 691.826 1.402 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)CCn1cnc3ccccc3c1=O)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952869096 WUQQPJDGPAHGSX-REOUMGPISA-N 777.920 1.448 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cccc(c2)CNC(=O)c2cccc(c2)OCCn2cc(nn2)CNC1=O 952856315 DSMMILZPZLQERQ-KBMIEXCESA-N 561.643 1.566 0 50 KDAA CCc1nc(C)c(C(=O)N[C@H]2CCCCNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)NC2=O)o1 1704358454 NEQICJYNQHOAGN-BSYFPZJBSA-N 748.882 1.150 0 50 KDAA CCn1ncc(S(=O)(=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 1772817378 CRWGWAXDNOBPMC-HJEVSJOPSA-N 735.908 1.905 0 50 KDAA CC1(C)C[C@@H](n2cc(CNC(=O)CNC(=O)CCn3nc(O)c4ccccc4c3=O)nn2)c2cc(F)ccc2O1 2325853121 DQNSUKWWQICSKO-OAQYLSRUSA-N 549.563 1.806 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCN(c3ccc(Cl)cn3)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952856541 MAMVYVVNVSPUIU-PIENVQBSSA-N 668.195 1.140 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2cnn3ccn(C)c23)CCNC1=O 952859375 UJCRTLQWSMCANI-HSZRJFAPSA-N 579.637 1.442 0 50 KDAA COCCN(C(=O)COC(=O)c1nnc(O)c2ccccc12)c1c(O)nc(=O)n(Cc2ccccc2)c1N 952961840 NEFUHJINEPDDCO-UHFFFAOYSA-N 520.502 1.065 0 50 KDAA COc1ccc2cc1OCCN(C(=O)CCn1cnnn1)CCCNC(=O)[C@H]1CN(C(=O)c3csc(C)n3)C[C@H]21 1875241172 PXVYNZSMQVPGQF-UXHICEINSA-N 568.660 1.120 0 50 KDAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)Cn3cnnn3)CC(=O)N1CC2 1704336270 JXVNGQMTDPKBCU-AREMUKBSSA-N 522.562 1.102 0 50 KDAA O=C(NCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)O)OCc1ccccc1 25691911 GWTZMIJUPBOPKG-RTWAWAEBSA-N 501.536 1.940 0 50 KDAA COc1ccc(CNC(=O)[C@@H](N)CCCNC(=N)NS(=O)(=O)c2c(C)cc(OC)c(C)c2C)cc1 39946818 QLUNOGHYJINXST-FQEVSTJZSA-N 505.641 1.856 0 50 KDAA CCn1c(-c2ccccc2)nn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)c1=S 334161202 WGIPACAVGUSGLP-ZFVIQDPVSA-N 534.591 1.930 0 50 KDAA O=C1CCNC(=O)C2(CCN(C(=O)Cn3ccnn3)CC2)Cc2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)O)N1 952856973 UNYXZZMKTYHYEM-DEOSSOPVSA-N 560.611 1.554 0 50 KDAA CCc1cc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)cs1 952861769 APGAVHQJRNLYBJ-BJKOFHAPSA-N 563.684 1.393 0 50 KDAA Cc1ccc2c(c1)C(=O)NCc1cccc(c1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)NCc1cn(nn1)CCO2 1616092661 NSVSUSBMZXBMHH-CPJSRVTESA-N 575.670 1.875 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cnc(N)s3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704319439 VPLJWMCUQITZEG-HGSOSGBHSA-N 629.784 1.094 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2ncc[nH]c2=O)CCCCNC(=O)[C@@H](C)NC1=O 1704337481 SSPLHSQIAGKAER-KEKPKEOLSA-N 657.772 1.699 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2nn(C)cc2Cl)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714078 YTKOSUHUJGAMJN-SXSPYAJSSA-N 641.129 1.210 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1848442276 BPDBXEVYPPWFPU-DLFLOYDBSA-N 551.618 1.566 0 50 KDAA CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2ccc3c(c2)C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CC1 2325900560 AEKNIABLYUMRFT-FZKQIMNGSA-N 501.561 1.370 0 50 KDAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3nc4ncccn4n3)CC[C@H]1O2 2356162896 SLCRCEYEXVIHKL-FCHUYYIVSA-N 571.594 1.542 0 50 KDAA COc1ccc(C2=NO[C@@H](CO[C@@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2)cc1 253503710 IXGOAUDJFVQZQQ-RHIKPPAFSA-N 537.518 1.288 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc(Cn4nnnc4C)cc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704318620 OMJLJYHQUQNSLK-RYSHCBBCSA-N 703.845 1.398 0 50 KDAA CCOCCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772714462 RTSPGWKGQZQQFY-FDJWOJMMSA-N 632.718 1.133 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCN3C(=O)c4ccccc4S3(=O)=O)C[C@@H]1NC(=O)CC2 1772817725 QOAFOAAPGTVSIA-LSYYVWMOSA-N 662.721 1.646 0 50 KDAA C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 1848443720 SKHJNNFXCKTDBG-BGFISTHKSA-N 708.886 2.000 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc3c(c2)OCCO3)CCNC(=O)COc2cccc(c2)C1 1857697032 RYUTVIGEZCARKK-HKBQPEDESA-N 597.665 1.744 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)CCn1ccccc1=O)CCCCNC2=O 1857706205 DOWNEWIQFZCOGK-NLPVGWCVSA-N 762.861 1.723 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(S(=O)(=O)c1ccc(-c3cc(C(F)(F)F)nn3C)s1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1857710851 TVYWDJYONIREDZ-GYCJOSAFSA-N 672.708 1.271 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@@H](NC(=O)[C@@H]1CCCNC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 2084369681 NNQSKNVHEHFQCS-NBJHOTSESA-N 692.858 1.386 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cc(C(C)C)nc(N)n3)C[C@@H]1NC2=O 952856608 CPVDAXWANVAPOJ-UGKGYDQZSA-N 522.566 1.015 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)CCCc2ccc(OC)cc2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704322490 IPVDMAZPOTXFOE-LJDBXCDRSA-N 734.895 1.282 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CCCc2nc(-c3ccccc3Cl)no2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704324353 NKJNOJSUOAKPLD-UAMFUYNYSA-N 751.285 1.939 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)CCCc2nc(-c3cccnc3)no2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772700728 DSKJMXCECPSXOZ-XTBZXYEFSA-N 713.796 1.978 0 50 KDAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@H]2CCC(=O)N2)CCNC(=O)c2csc1n2 1772817065 GCEBMFYBRJDIJR-HKBOAZHASA-N 621.720 1.899 0 50 KDAA CC(C)[C@@H]1NC(=O)c2cc(-c3ccc4c(c3)CCC4=O)ccc2OCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](C)NC1=O 2100532857 FKDMAIDOAUIFQH-OQEUHBQYSA-N 576.650 1.212 0 50 KDAA COc1ccc(-c2oc3c(CC=C(C)C)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(O)c3c(=O)c2O)cc1 59764096 IYCPMVXIUPYNHI-WPKKLUCLSA-N 530.526 1.567 0 50 KDAA biogenic,in-vitro CC(C)C[C@@H]1NC(=O)CN(C(=O)CCCN(C)C)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704318677 PRGRNTVVXQNWJG-RVVSJWLRSA-N 751.955 1.774 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3cn4ccsc4n3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704318835 RGKLWUXXULVLRC-RXVVDRJESA-N 554.673 1.721 0 50 KDAA Cc1noc(C)c1CCC(=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 1704321343 JSFHQKZZLJKPCT-KANVPKTASA-N 728.847 1.559 0 50 KDAA COc1ccc(-c2ccc(C(=O)N[C@H]3CCCNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc4ccccc4)NC3=O)o2)cc1 1704343266 GBDIETKRFVVSOG-PNCWKGICSA-N 758.873 1.689 0 50 KDAA Cn1cccc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1=O 1772714365 NKTSCSKEEGKTOL-SVBPBHIXSA-N 572.618 1.885 0 50 KDAA CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)OCc1ccccc1 4577551 AMVPQXWWHXMIJM-MQZDDTPHSA-N 659.784 1.885 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CC2CCCC2)C[C@@H](c2ccccc2)NC1=O 1704326634 KKTODQSHSCTVKU-BOAFFTEWSA-N 656.784 1.942 0 50 KDAA COc1ccc2cc1OCCN(C(=O)[C@H]1CCCO1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704328067 XGNUQPBLRAWADJ-NFBKMPQASA-N 513.595 1.216 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)COc2cccc(c2)[C@H]2CN(C(=O)c3ccc(N4CCN(C)CC4)cc3)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC2CC2)C1=O 1704339738 KLWMCJXIAIATST-AZRNDMMCSA-N 779.939 1.387 0 50 KDAA Cc1cccn2c(CC(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)C4(CC4)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](C)NC3=O)cnc12 1772704016 FXQHUAPEZMWLIG-QZFRTWIZSA-N 679.778 1.302 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)C3CCOCC3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713718 PTICGWOYKNMJEJ-MOMDTQCHSA-N 663.772 1.099 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1cnn(-c3ccccn3)c1C)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714338 MHLPNUUERSSYOS-BPXGCVMRSA-N 725.855 1.574 0 50 KDAA CC(C)CCN1C(=O)CN(C(=O)c2ccccc2)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857740985 WTRJXLNMGYWIAW-JOCHJYFZSA-N 536.677 1.886 0 50 KDAA O=C1CN(C(=O)c2cc(=O)n(-c3ccccc3)[nH]2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857741366 PDTRNNVUTSGUNX-NDEPHWFRSA-N 663.739 1.964 0 50 KDAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C 725325772 NRRXRYVNQACVQL-UHFFFAOYSA-N 655.827 1.758 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3CCNCC3)C[C@@H]1NC2=O 1704329791 ZKRCDDIRXPQYDR-URXFXBBRSA-N 508.575 1.092 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(Cc3csc4ccccc34)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1704330661 ZTWSWKPFTJJRMR-FDDCHVKYSA-N 531.642 1.968 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2onc3ncccc23)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772702425 VXGINJYKHHQEJL-YZUZCNPQSA-N 672.747 1.356 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)Cc2cc3c(cc2Cl)OCCO3)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857699770 XYLYRPYUOALOJI-NUKCWJJBSA-N 732.194 1.503 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)CCc3ccc(F)cc3F)CN2C(=O)[C@@H](NC(=O)c2ccccc2-n2cncn2)CCCCN1 1857705482 JGZXJISWOFXOIS-NGXSIQFZSA-N 708.723 1.012 0 50 KDAA Cn1c(=O)c2c(nc(SCC(=O)Nc3nn(-c4ccccc4)nc3C(N)=O)n2Cc2ccccc2Cl)n(C)c1=O 2192270 DBOGWXIYYBUWNS-UHFFFAOYSA-N 580.030 1.546 0 50 KDAA CN(Cc1cccc(OCCN2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)CC2)c1)C[C@H]1CCC(=O)N1 12279053 NVXFIVPMXFNSEZ-HSZRJFAPSA-N 521.662 1.801 0 50 KDAA COC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)N[C@H](c2ccc(OC)c(OC)c2)[C@@H](C(=O)OC)S1(=O)=O 19228755 CLYIEKBYARYVNJ-LRSLUSHPSA-N 523.560 1.605 0 50 KDAA O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 101916515 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CC[C@H](C)[C@@H]1NC(=O)CN(C(=O)c2csc3c2CCCC3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 952863550 QBOOBPDLJGDRNO-ZWYZYQQSSA-N 637.803 1.419 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323848 HNJATSHUPQSXIS-CSZVXOJQSA-N 665.788 1.713 0 50 KDAA CCc1nc(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3cc(on3)C2)no1 1772713654 OACRVLQRXYZDDG-BYXVTNLJSA-N 642.717 1.325 0 50 KDAA Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1772713851 UNBDTSDNDBGVGG-LXWOLXCRSA-N 710.810 1.139 0 50 KDAA CCOCC(=O)N1CCc2c3ncn2CC(=O)NCCN(C(=O)CCn2c(C)nc4ccccc42)CC(=O)NCCCOc2cccc(c2)[C@H]31 1775979658 KOKFOVJLBRCVSR-PSXMRANNSA-N 684.798 1.986 0 50 KDAA O=C1CN(C(=O)c2cc(-c3ccccc3)no2)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857740768 YQBZQMNZYDBZAE-SANMLTNESA-N 599.648 1.953 0 50 KDAA CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O 3995845 IPSYPUKKXMNCNQ-PFHKOEEOSA-N 544.737 1.062 0 50 KDAA investigational CC(C)C[C@H](NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)NCC(N)=O 102013656 WUHOEYOFJCYKLD-SFHVURJKSA-N 539.541 1.448 0 50 KDAA CCn1c(-c2ccccc2)nn([C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2NC(C)=O)c1=S 334161199 WGIPACAVGUSGLP-DLBZZEGUSA-N 534.591 1.930 0 50 KDAA Cc1cccn2c(CC(=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)cnc12 1704343791 NPVJNEWCGOIISE-YCLZMANASA-N 783.931 1.176 0 50 KDAA COc1ccc(F)c(F)c1CN1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC2=O 1772706514 RBDVXIFLRYHBFW-GSEMILKTSA-N 723.774 1.605 0 50 KDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2C[C@@H](O)COc1c(Br)cc(Br)cc1Br 5224566 QFWJUIWIXSMGBG-LLVKDONJSA-N 638.111 1.987 0 50 KDAA COc1ccc(C2=NO[C@@H](CO[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2)cc1 253503704 IXGOAUDJFVQZQQ-GIBPRTBJSA-N 537.518 1.288 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)Cc3cnc(O)n(C)c3=O)C[C@H]1NC(=O)CN(C)C2=O 1616112640 RIGCZPVYDVNONP-RPWUZVMVSA-N 575.622 1.517 0 50 KDAA CC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704317478 KAVXBFUEZVMJTO-CTZUUEIXSA-N 705.857 1.072 0 50 KDAA COc1ccc2cc1OCCCCN(C(=O)CN1CCOC1=O)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704321286 HFNIYTZGVCZAKE-QHAWAJNXSA-N 500.596 1.790 0 50 KDAA COCC1CCN(S(=O)(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)CC1 1772704253 PZSQGWTVEXQRSX-OFSOJUDTSA-N 674.869 1.333 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)CCCCc2cccnc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1800430288 FJJSVPYPIDORBS-LGXAAPQCSA-N 668.795 1.912 0 50 KDAA O=C1CCCN(C(=O)CCc2cc(Cl)no2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857741190 HOYSSOKYFGOBQI-DEOSSOPVSA-N 596.088 1.964 0 50 KDAA COCCN1CC(=O)N[C@H]2CN(S(=O)(=O)N3CCOCC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952865349 WKDUFLYXBBQBLX-LSYYVWMOSA-N 632.736 1.171 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)C2CC2)CCN(C)C(=O)[C@@H](C)NC1=O 1704323800 ZOTYPHCTJGOVGC-QEUIGEMPSA-N 653.806 1.018 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1ccc(N3CCCC3=O)cc1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772706277 YTUAOZDDFPFKGL-JGKRUJSYSA-N 727.867 1.811 0 50 KDAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)NC1(CC1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)[C@H]1CCC(=O)N1)C2 1772713633 NMFVDRQHHWNVGX-DNQXCXABSA-N 620.707 1.296 0 50 KDAA CC[C@@H]1NC(=O)CCCN(C(=O)CCCS(N)(=O)=O)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857699389 SRJPMNKIQWXOBH-QHCPKHFHSA-N 649.742 1.949 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)[C@H]1CCC(=O)N1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533364 LTFPZQHZODOMTN-CJFMBICVSA-N 554.648 1.096 0 50 KDAA 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546.312 1.673 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(Cc3nc(C(F)(F)F)no3)C[C@@H]1NC2=O 952865563 RLRZUXXUUFJOEZ-YOEHRIQHSA-N 509.445 1.281 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(CCCn3cccn3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713257 FBPFEFAHGXNSOG-JCGRVDTESA-N 659.788 1.432 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)c1cc3n(n1)CCNC3=O)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1857699261 KBCIAVKLSSWTPG-HSZRJFAPSA-N 641.685 1.867 0 50 KDAA COCC[C@@]1(C(=O)NCCc2ccccc2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1857702566 OEMSXSORTIPPEI-PMERELPUSA-N 538.689 1.996 0 50 KDAA O=C(CN1C(=O)c2ccccc2C1=O)NCc1cccc(CNC(=O)CN2C(=O)c3ccccc3C2=O)c1 4142026 BJVCPOIKLIWNAX-UHFFFAOYSA-N 510.506 1.511 0 50 KDAA COC(=O)c1ccc2ccccc2c1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1NC(C)=O 230114317 AQKPXOWLUQPPRH-DMPFSZABSA-N 531.514 1.661 0 50 KDAA COc1ccc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC3=O)cc1Cn1cncn1 1772702672 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CC(C)[C@H]1NC(=O)[C@@H](NC(=O)COc2ccc(-n3cnnn3)cc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857696597 IORGSKKZEPKLSF-MYHCNICMSA-N 735.806 1.554 0 50 KDAA O=C1CC[C@@H](N2Cc3c(cccc3S(=O)(=O)N3CCC(C(=O)N4CCc5ccccc54)CC3)C2=O)C(=O)N1 2325899558 KNCPHQLKHAEORE-JOCHJYFZSA-N 536.610 1.438 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cscn3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952862910 SEUMLUHURQUBOI-VZNYXHRGSA-N 704.850 1.993 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CN(C(=O)Cn3nc(C)cc3C)C[C@@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 1704321088 AYYNWAJVMBEFMQ-ITHRCTNCSA-N 729.879 1.737 0 50 KDAA COc1ccnc(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)c1OC 1772713461 MOPQSBOJUZBGRG-NQHRYMMQSA-N 649.749 1.596 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)c2ccc(-c3cc[nH]n3)o2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714118 AZWFLMVZRWVPTD-SGIRGMQISA-N 722.829 1.352 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2c(C)noc2C)CCNC(=O)COc2cccc(c2)C1 1775978820 VXCMXDYIXJAYPE-MUUNZHRXSA-N 558.632 1.577 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](On2c(-c3ccccc3)nc3ccccc3c2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 70671723 KWJKVIYKVIMPRC-SLIMJBHWSA-N 568.535 1.575 0 50 KDAA biogenic NC(=O)[C@@H]1C(=O)N(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)[C@@]23CCOC[C@@H]2[C@H]1c1ccccc1O3 827695831 FLAXJEJSJJFDSA-YEWYXCPRSA-N 518.570 1.008 0 50 KDAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324419 PJFXYGGJGSFTBJ-UJLGHMMASA-N 699.871 1.387 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cn3ccsc3n2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704344962 RHLDIMOZRVQJPZ-YYHZNZGJSA-N 761.906 1.001 0 50 KDAA 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 1772703846 JQAPDILEGRIRRU-NZHOUOPXSA-N 605.736 1.538 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cnc(O)[nH]3)C[C@@H]2Oc2ccc(cc2)CN1 1772816811 BZUUDWSXYRWCKU-ZEQRLZLVSA-N 547.568 1.615 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)c1cn(C)cn1)CCNC2=O 1857725630 GPGVVRZEUYWXLJ-LJQANCHMSA-N 572.626 1.829 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1n[nH]c3c1COCC3)CCCNC(=O)[C@H]1CN(C(=O)Cn3nc(C)cc3C)C[C@H]21 2100533255 HSNOQAISSROTHR-PKTZIBPZSA-N 605.696 1.588 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(=O)c2cc(C)nc3ccccc23)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 334160627 JCCLBWKUDXCGMB-FCRIMTMASA-N 516.503 1.356 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](NC(=O)CC(c3ccccc3)c3ccccc3)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCC[C@H]2NC1=O 1704316656 ZAFNREAQRXYGEK-UTELSBMHSA-N 750.897 1.691 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CN(C(C)=O)C[C@@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 1704321744 XZPQNHRHRICLLF-ATIZSFMBSA-N 635.762 1.243 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322671 OOUNKQDVIPHING-DZVDWBIPSA-N 719.884 1.689 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc(-n4cnnn4)cc3)C[C@@H]1NC(=O)CC2 1772713301 GXQJEZQDOXQQKG-LSYYVWMOSA-N 597.632 1.701 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccncc2Cl)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1857700438 BRHXUXMWVLEIRZ-SQMFLSJESA-N 647.132 1.466 0 50 KDAA COc1ccccc1CC(=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 1704321106 CDRFKJJZZOJLSR-MUHFHDLTSA-N 733.892 1.859 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2c3c(nn2C)CCCC3)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772702968 BLVCZGUHIHSVLY-QHWMMSMNSA-N 688.834 1.433 0 50 KDAA Cc1ccc(-n2cccn2)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 1772713924 WMCVQYRQYLPFRE-IWVFXYMLSA-N 746.895 1.863 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cnc(C)cn2)CCNC(=O)COc2cccc(c2)C1 1775983671 QUHQFICICNRBJG-MUUNZHRXSA-N 555.632 1.071 0 50 KDAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)CN3CCCN(C)CC3)CC[C@H]1O2 2356161926 QAYBJQBSWJNYNO-IZZNHLLZSA-N 579.698 1.428 0 50 KDAA CCn1nc(C(C)C)cc1C(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC2=O 1772713277 FYUCXLWMUSUSNF-RVQNBHMFSA-N 731.851 1.298 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cc3cccc(C(F)(F)F)c3)CN2C(=O)[C@@H](NC(=O)c2cn(-c3ccccc3)nn2)CCCCN1 1857689136 BPZWCPYHZAJASA-TXKDVJNZSA-N 726.713 1.363 0 50 KDAA COC(=O)[C@H](C)CN(C(=O)CSCC(N)=O)[C@@H](C(=O)NCC(F)F)c1ccc(OC)c(OC)c1F 2325823013 BNNJQPYVTOACJI-ADLMAVQZSA-N 523.530 1.122 0 50 KDAA Cc1cc(CC(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)on1 952855833 GGTLUKKQDGRLAI-HSZRJFAPSA-N 555.611 1.681 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(C(=O)Cc3c(Cl)cccc3Cl)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952865601 SLZNZMTZTMECIZ-KSFYIVLOSA-N 572.453 1.629 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3ncoc3C)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704330792 GBPYCURZOLZNTL-BYXVTNLJSA-N 626.755 1.839 0 50 KDAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNCCNC3=O 1775978080 BEKMIHCWAQYILE-BWKNWUBXSA-N 575.714 1.306 0 50 KDAA CC(C)C[C@H](NC(=O)[C@H]1CCCN1C(=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)NCC(N)=O 253387766 LYDCRXQQBDNGOO-DQTXXJETSA-N 775.901 1.181 0 50 KDAA biogenic COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CN3CCCC3)C[C@@H]1NC2=O 1704324046 VEZCGLMEMMJATG-URXFXBBRSA-N 508.575 1.188 0 50 KDAA COc1cc(F)c(CN2CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]3CCO[C@H](C2)[C@H]3O)cc1OC 1704340312 FYZOBKIIHJZLQD-XDYGXXOYSA-N 699.821 1.398 0 50 KDAA Cn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCc1ccccc1)C(=O)CCCN(C(=O)c1ccncc1)CCNC2=O 1857725784 MWPPXNUMLVLGHM-DEOSSOPVSA-N 571.682 1.526 0 50 KDAA 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1772714459 RNLBSLGYJRPKPL-OUIFVKKZSA-N 671.780 1.435 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@H]3CCC(=O)N3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714613 ZVZFSSHQDGYWPQ-AJKOZGQXSA-N 732.879 1.395 0 50 KDAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1ccnn1C)CCCNC(=O)CC2 952864739 PSOROIMDBQBDRX-FQEVSTJZSA-N 556.664 1.146 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)CN(C(=O)Cc2ccccc2OCc2ccccc2)CCNC1=O 1772700427 DTSOOFLIVBGMOX-NCQDULDFSA-N 662.744 1.079 0 50 KDAA COCC(=O)N1CCCCNC(=O)c2ccc(OC)c(c2)Oc2cccc(OC)c2CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C1 1857707310 NAWHSQFXDOIEKB-TUJMVGRMSA-N 685.775 1.117 0 50 KDAA COCC[C@]1(C(=O)NCc2ccccc2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875240490 VJJPMQGZVGITGJ-GDLZYMKVSA-N 524.662 1.953 0 50 KDAA Cn1nnc(CN2CCC[C@@H]2C(=O)NS(=O)(=O)C[C@@H]2CCCN2C(=O)c2cccc3c2CCCCC3)n1 1875342467 SOZZMVCYPHXBRY-SIKLNZKXSA-N 529.667 1.194 0 50 KDAA 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CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2ncc(F)cc2F)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772701139 IHHHGALGCIDKDK-DQMJNTIXSA-N 639.660 1.497 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cn3nc(C)cc3C)C[C@@H]1NC(=O)CC2 1772701167 KIAZRMQSGFNQOS-IGKIAQTJSA-N 561.639 1.925 0 50 KDAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)C2CC2)CCCNC(=O)COc2ccc(cc2)C1 1775981439 UBPZBXWTFQCZJA-MUUNZHRXSA-N 531.650 1.849 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CCCCNC2=O 1857702186 CSGHNCDZMNYNFH-ADRJNJHWSA-N 799.886 1.975 0 50 KDAA O=C1NCCN(C(=O)CCCn2cncn2)CCCOc2cccc(c2)[C@H]2CN(C(=O)Cc3cccnc3)C[C@H]12 1875240119 IVLZHRRFTHYLCK-FTJBHMTQSA-N 545.644 1.666 0 50 KDAA CO[C@H]1C[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@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 1903867225 KWBPKUMWVXUSCA-WJWUXXCASA-N 696.831 1.079 0 50 KDAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1 100229793 KJCMZQXFFDGQSO-OAQYLSRUSA-N 537.476 1.232 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O 135672818 VJJPUSNTGOMMGY-ZUWYDPGFSA-N 588.562 1.339 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(=O)c2cc(C)nc3ccccc23)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 334160628 JCCLBWKUDXCGMB-JAWPICGBSA-N 516.503 1.356 0 50 KDAA COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCSC)NC2=O 952864653 KVGYCMDNMMHRGZ-GOTSBHOMSA-N 566.684 1.965 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)Cc2cc3c(cc2Cl)OCCO3)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952865104 MQNDCXVYHDBYLM-AIKBEYBBSA-N 650.136 1.586 0 50 KDAA O=C1CN(CC2CC2)C(=O)[C@H](Cc2cnc[nH]2)NC(=O)COc2cccc(c2)[C@H]2CN(C(=O)c3cccnc3)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)N1 1704317918 KOUFMLFHQWPRCX-WNQXLSPZSA-N 718.815 1.615 0 50 KDAA 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COCC(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O 1857690443 CXEMHSJXRGKSOF-IUGBQFMMSA-N 605.696 1.146 0 50 KDAA COCCC(=O)N1CCCCNC(=O)c2ccc(OC)c(c2)Oc2cccc(OC)c2CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C1 1857703484 RQYYXIYDYIYSPD-MMFLPWJGSA-N 699.802 1.507 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@H]1CN(C(=O)c3scc4c3OCCO4)C[C@H]1CC(=O)NCCN(C)C2=O 1616108274 PLHGVYVKIWXUMN-APWZRJJASA-N 582.639 1.604 0 50 KDAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)CN2CCCN(C)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321955 JCNRRUZYYOOXLA-WSCOFRKMSA-N 719.928 1.948 0 50 KDAA Cc1nc(N(C)C)ncc1C(=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 1772704607 ODWIIEHKLOPRAH-RTAXSKKWSA-N 726.879 1.996 0 50 KDAA COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(O[C@@H]4O[C@@H]([C@@H](O)CO)CO[C@H]4OC)cc(OC)c3[C@]2(O)[C@@H]1O 72123687 GVKXFVCXBFGBCD-JRPGFILLSA-N 654.665 1.573 0 50 KDAA in-vitro 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HWLHZLOARFCECP-JOMNFKBKSA-N 660.776 1.434 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3cc[nH]c3)CCCC1=O)C2 1857724286 SXJXFXDOYHWZNP-FQEVSTJZSA-N 525.654 1.215 0 50 KDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)Cc1ccc(O)cc1 71766840 UXCUYXDJYCOPDL-DSITVLBTSA-N 521.570 1.301 0 50 KDAA CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C 215876105 YGLOALWHJIANIH-HXJDATGISA-N 665.700 1.098 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cn2cc3ccccc3n2)CCN(C)C(=O)[C@@H](C)NC1=O 1704321570 AEXPQGCOVQNDEB-AURLEMJNSA-N 743.891 1.657 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2cncc(F)c2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714259 HWGGAQGMWZOKAV-UKDVSSAZSA-N 621.670 1.358 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cnsc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714492 SWGYQDBWTIALFA-MIZPHKNDSA-N 637.767 1.277 0 50 KDAA CCC(=O)[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@@H]2CC4)O1 1772820159 RZAQKUZJRMZPFB-LNRNUTARSA-N 752.939 1.883 0 50 KDAA Cc1nnnn1CCC(=O)N1CCCCNC(=O)[C@@]2(CCCc3ccccc32)NC(=O)CN(CCC(C)C)C(=O)C1 2356136473 WEGOUGXPRFIWFL-LJAQVGFWSA-N 566.707 1.333 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(=O)O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)c(OC)c1 2709292 UCMPFKGNQLBOPA-FEYWKWKCSA-N 577.571 1.144 0 50 KDAA O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(C(=O)Cc3cc4c(cc3Cl)OCCO4)CCN2C(=O)[C@H](Cc2ccccc2)N1 952856198 AGVHVZYXPNVSHV-LOSJGSFVSA-N 636.109 1.122 0 50 KDAA 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)C3CCOCC3)C[C@H]2C(=O)N1 1704323487 PTYXQMUQIXVEDN-PEPLOFAHSA-N 641.810 1.789 0 50 KDAA C[C@@H]1NC(=O)CCCN(C(=O)Cn2ncc3ccccc32)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1704330445 CFSXCIAQVIBZOT-NBGIEHNGSA-N 557.655 1.879 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772701285 DMDREGKXZQUNIQ-AIQWNVMPSA-N 768.868 1.458 0 50 KDAA COCCN1CC(=O)NCCN(S(=O)(=O)c2c(C)noc2C)CCC(=O)N(CCC(C)C)[C@H]2CCc3c(c(nn3C)C1=O)C2 1857740068 GLSKXBPJFLYQKS-QFIPXVFZSA-N 635.788 1.056 0 50 KDAA COCC[C@@]1(C(=O)NCc2ccccc2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1875240491 VJJPMQGZVGITGJ-LJAQVGFWSA-N 524.662 1.953 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(C(=O)c1cnn3ccn(C)c13)CCCNC2=O 2100533711 WRNCBXNWTLFABU-IBGZPJMESA-N 522.654 1.945 0 50 KDAA CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Br)cc1 53352742 ZYBBJYBOYDBORJ-YPMHNXCESA-N 527.397 1.669 0 50 KDAA 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)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 245205019 KYWSCMDFVARMPN-MSSMMRRTSA-N 780.993 1.777 0 50 KDAA biogenic,in-vitro C[C@H]1O[C@H](O[C@H]2C[C@@H]3[C@]4(C)C[C@H](O)[C@H]([C@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@]4(C)CC[C@]34C[C@@]43CC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]23)[C@@H](O)[C@@H](O)[C@@H]1O 253503739 UPADPCUOTDTWHH-IREVUYNASA-N 768.982 1.752 0 50 KDAA C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C 257462826 KFYOFJUUTSALEH-MXMDTNSBSA-N 871.071 1.322 0 50 KDAA CCn1ncc(C(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1C 1704323600 RMTHWKOBYDBCJK-DHLKQENFSA-N 533.585 1.931 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CNC(=O)N(C)C)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775982741 OPYOQIRKTFYKKK-CYFREDJKSA-N 624.724 1.501 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1ncoc1C)CCCNC(=O)[C@H]1CN(C(=O)c3cn(C)cn3)C[C@H]21 1875240596 DSPVHGCPJXSGQF-UXHICEINSA-N 536.589 1.622 0 50 KDAA Cc1noc(C)c1CC(=O)N1CCCC(=O)N(CCCO)CC(=O)N[C@H]2CCc3c(c(nn3CCC(C)C)C(=O)NCC1)C2 1940195551 WVETWLRMVXPHPI-QHCPKHFHSA-N 613.760 1.313 0 50 KDAA 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]3[C@@H](O)C[C@]12C 95548971 HJRVLGWTJSLQIG-ABNMXWHVSA-N 770.998 1.759 0 50 KDAA biogenic,in-vitro Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]3CCCN3)ccc12 106260064 LATXIQYQVGEJJC-SGNDLWITSA-N 575.670 1.267 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@H]5[C@@H](O)[C@H]3O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O 215948058 VJJPUSNTGOMMGY-SQLIJDBXSA-N 588.562 1.339 0 50 KDAA CCCNc1ncc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cn1 952864282 NAGPHIQOWMRADC-VWLOTQADSA-N 545.692 1.962 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)Cn3cnnn3)C[C@H]1NC(=O)CN(C)C2=O 1616092985 JZVXCDHNTYUPMH-YADHBBJMSA-N 519.562 1.162 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccncc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704326586 IBRFCNHRCCOSDN-NVSKSXHLSA-N 608.740 1.450 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2cc[nH]c2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772705745 PMNGYEYLCSZBSN-CTUHWIOQSA-N 591.669 1.152 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc(=O)n(C)c1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713141 FZXIKZHUZOVLFV-IRPSRAIASA-N 618.739 1.269 0 50 KDAA O=C1CN(C(=O)CCc2ccc3c(c2)OCO3)CCNC(=O)Cn2cnc3c2CCN(C(=O)C2CCOCC2)[C@H]3c2cccc(c2)OCCCN1 1857706602 NFHVVWYFGTUBCZ-BHVANESWSA-N 700.793 1.989 0 50 KDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCCC(=O)NCCOc4ccc(F)cc4C(=O)N[C@@H](CCC(N)=O)C(=O)NCC3)cc2n1 1857711592 IJHIHJVCMMJFPH-IBGZPJMESA-N 664.617 1.107 0 50 KDAA Cc1ccccc1OC[C@@H](O)Cn1c(N2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C 634889 GCFQONNJAZHNFU-NRFANRHFSA-N 504.591 1.509 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cnn5cccnc45)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100534248 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CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(C)=O)CCNC(=O)COc2cc(ccc2OC)C1 1857705117 TVGKOOAXKGVDEO-HHHXNRCGSA-N 517.623 1.841 0 50 KDAA CCOC(=O)CCCNC(=O)[C@@H](N(C[C@@H](F)CO)C(=O)c1cc(CCCO)on1)C1(C(F)F)CCC1 2325838914 CSNPNJAIVXAEEB-DNVCBOLYSA-N 521.533 1.636 0 50 KDAA CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O 253633765 NEYNJQRKHLUJRU-ICYKMPLBSA-N 767.906 1.520 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O 952862149 MAFGTTYTIOBKIC-MZBJOSPHSA-N 656.180 1.717 0 50 KDAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3c(C)noc3C)CCCNC2=O)N(C(=O)CCCn2cncn2)C1 1704317459 IVXPJQUZMYEBHJ-DQEYMECFSA-N 650.737 1.893 0 50 KDAA CC[C@H]1CN(C(=O)C2Cc3ccccc3C2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704318146 OILZRWMPVFFSCI-GDNYIZLESA-N 603.764 1.902 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)[C@H]2CCCO2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713766 RIIVDSNYLWFPNP-YUPAOTDASA-N 704.825 1.226 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CCn2cnc3ccccc3c2=O)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714206 FRPOOGJEENFPCN-BOCWGRARSA-N 726.839 1.307 0 50 KDAA COc1cccc(CCC(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]3C[C@@H](NC(=O)c4ccc(F)c(F)c4)CN3C2=O)c1 1857699242 JFRPBSJQJPHEAJ-FBZFJNBBSA-N 671.698 1.440 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc(=O)n(C)c3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857708982 WZNFABACWGKXBW-QIHOXZLRSA-N 712.764 1.810 0 50 KDAA COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H]2c2cn(C[C@@H]3CCCCNC3=O)nn2)cc1 2325844105 YWMFYJXZGBJVCF-NMNUPHIUSA-N 530.651 1.720 0 50 KDAA COCC(=O)N1CCCC(=O)N(CCC(C)C)CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCC1 2356136243 MAXGCZHMFRYPDG-MHZLTWQESA-N 500.640 1.594 0 50 KDAA CCOc1ncccc1C(=O)N1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CCc2ccc(c(OC)c2)OCC(=O)NCCC1 952856521 KTWBUJVMUGFSNK-ANDHLSMFSA-N 726.872 1.756 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2cc(C)no2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704321338 JMOGYMJHHXINLL-RBODFLQRSA-N 600.742 1.050 0 50 KDAA CCS(=O)(=O)N1CCN(C(=O)c2cc3cc(c2)-n2ccnc2-c2ccc(OC)c(c2)OCC(=O)NC3)CC1 1857725715 JNNTXFVKVXEWHN-UHFFFAOYSA-N 539.614 1.664 0 50 KDAA CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(=O)[C@@H](C)[C@@H](C)c4ncccc4C(=O)OC[C@]4(C)O[C@@]1([C@@H](OC(C)=O)[C@@H]4[C@@H](OC(C)=O)[C@H]2OC(C)=O)[C@@]3(C)O 253591192 PBFGAFDJVQAMRS-KMILXHHBSA-N 805.783 1.034 0 50 KDAA biogenic CCOC(=O)CCN(c1ccccn1)[C@H](c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)[C@@H](O)[C@H](O)[C@H](O)CO 267330270 UVDBSGYHRCOSLQ-BBAUSIIJSA-N 605.696 1.440 0 50 KDAA Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN)C(C)(C)C)cc1 820924954 VSMWDQCRYIOFMX-UWPQIUOOSA-N 663.838 1.253 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)Cc2ccc3c(c2)OCO3)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704322849 KYICIVBCQMPUPZ-JICQUXPRSA-N 607.708 1.022 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cnccn2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704324843 VUCPVWFUVOQDBI-WDDWZANVSA-N 744.879 1.536 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)c2ccccn2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772701286 JZIBOOKUKNQLGD-ZGOJTZKKSA-N 637.697 1.415 0 50 KDAA COc1c(F)cccc1C(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)NC1=O 1772703512 NXECSUZBRWRVFW-BQRPEJFJSA-N 639.725 1.711 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)CCCn3cccn3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713421 IANCZZWPXLSAQA-JCGRVDTESA-N 687.798 1.349 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)c2cc(=O)n(C)c(=O)n2C)C(=O)N[C@H](C)C(=O)N[C@H](Cc2ccccc2)c2nc(CC3CC3)nn2CC(=O)N1 1857699512 QVHYEYFCIRYYED-SCNURPGISA-N 781.915 1.497 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(S(=O)(=O)c1c(C)noc1C)CCCCNC2=O 1857701921 YUNYQBAJFZAMTA-MMFLPWJGSA-N 772.878 1.938 0 50 KDAA O=C1CC[C@H](N2C(=O)c3ccc(NC(=O)CN4CCN(Cc5cccc(C(F)(F)F)c5)CC4)cc3C2=O)C(=O)N1 2325900151 MNZFXLXGOWGTRT-NRFANRHFSA-N 557.529 1.863 0 50 KDAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)CCn3cncn3)C[C@@H]2N1 952856408 CNEGQVIZXKEVTG-NSOVKSMOSA-N 590.681 1.920 0 50 KDAA CN(C)CCCOc1cccc(CN2C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C2)c1 952864481 IFUDWCWVKTXFJZ-ZCYQVOJMSA-N 521.622 1.596 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)CCCn2cnc3ccccc3c2=O)CCCNC1=O 1704322998 RZQYFONHNPINHD-VUGUGDOLSA-N 673.815 1.678 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1NC2=O 1704323807 ZZVOAVUZXIODBQ-URXFXBBRSA-N 502.527 1.801 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)[C@@H]2CCCN3CCCC[C@H]23)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772701594 AHFHEMFLOOEVAL-ZGKCVMSLSA-N 697.837 1.971 0 50 KDAA Cc1nc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC3=O)sc1C 1772713795 TZMFHLYMXFVNPE-OKABYJMHSA-N 706.866 1.780 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c2cc(-c3ccccc3)no2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857700779 LSUKHRFYZCRYKD-ZRKWFTTGSA-N 692.733 1.804 0 50 KDAA COC(=O)c1ccc(-c2cn(CC(F)(F)CCC(=O)N3CCC[C@H](n4ccc(O)nc4=O)C3)nn2)nc1 2325851761 IJZBZAYUOLJNEY-INIZCTEOSA-N 517.493 1.668 0 50 KDAA CC[C@]1(C(=O)N[C@@H](CNC(=O)COc2ccc(Br)c(F)c2F)[C@H]2CCOC2)CCNC1=O 2325877434 REKLQQHPLXNKND-VUCVNMQBSA-N 518.355 1.660 0 50 KDAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](C)O 226868139 LZGFTUHZKYUTCB-CBTSXZFNSA-N 577.634 1.996 0 50 KDAA CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 253387764 LYAGMCSCYXQWFA-GVAUOCQISA-N 606.680 1.677 0 50 KDAA 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](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 257349230 MPNVERPXYCHWMG-IAVIQIASSA-N 724.797 1.941 0 50 KDAA CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@]1(O)CC[C@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 257357076 LWEDMLOAXCZSBB-LLZREINTSA-N 606.665 1.916 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cc3nonc3C)C[C@@H]1OCc1cccc(c1)O2 952869657 KYXCPADXITUGKH-BDYUSTAISA-N 608.652 1.967 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)COc1ccc(-n3cnnn3)cc1)CCCNC(=O)[C@@H](C)NC2=O 1704330318 BBUMPJNZLNBLAG-OAQYLSRUSA-N 602.656 1.077 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)c2cc3ncccn3n2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772704912 UOBYBBHWVDJBIH-FDJWOJMMSA-N 677.722 1.063 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)C2CCC2)CCNC(=O)COc2cccc(c2)C1 1775980917 LDSHWPHWUSHVQX-HHHXNRCGSA-N 517.623 1.459 0 50 KDAA Cn1cc(S(=O)(=O)N2CCCC(=O)N3CCCC[C@@H]3CCc3cccc(c3)OCC2)c(=O)n(C)c1=O 1857699431 PLWVVHDJCOMYGY-HXUWFJFHSA-N 518.636 1.261 0 50 KDAA CCc1c(C)cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3cc(OC)c(c(OC)c3)OCCCNC(=O)C2)c(=O)n1C 1857740821 OFLMGXAPZKYHNU-RBJSKKJNSA-N 732.835 1.276 0 50 KDAA O=C1CCCN(C(=O)c2cc[nH]c2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857741531 XEPAORLAYNLPMN-DEOSSOPVSA-N 531.617 1.331 0 50 KDAA CCNC(=O)[C@@H](c1cnn(-c2ccccc2)c1)N(CCc1nnc(S)n1C)C(=O)c1ccnc(O)c1 2325823212 KBWVAZSFDSUXKS-OAQYLSRUSA-N 506.592 1.952 0 50 KDAA COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cn1nc(C)c(C(C)=O)c1C)CCCNC2=O 952857489 OKWLJPKMYYNRAF-FQEVSTJZSA-N 598.701 1.496 0 50 KDAA Cn1nnc(CN2CCC[C@@H]2C(=O)NS(=O)(=O)C[C@H]2CCCN2C(=O)c2cccc3c2CCCCC3)n1 1875342466 SOZZMVCYPHXBRY-DENIHFKCSA-N 529.667 1.194 0 50 KDAA CCOC(=O)[C@@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Br)cc1 53352743 ZYBBJYBOYDBORJ-DGCLKSJQSA-N 527.397 1.669 0 50 KDAA CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccc(I)cc1)C(=O)O 71788347 RDQXFDPVOCUTTL-BZSNNMDCSA-N 563.458 1.802 0 50 KDAA in-vitro COc1ccc(C[C@@H]2NC(=O)CCCN(Cc3cccnc3N)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704318688 PVUQZOSDQLAIJR-CVDCTZTESA-N 510.639 1.349 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)CCc1ccc3c(c1)OCO3)CC(=O)N[C@H]2Cc1ccccc1 1704324846 WDBXUMKMVWQQDJ-QGUKFAFCSA-N 631.734 1.836 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2cn3ccsc3n2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704327441 DHOGLIWHKLFPLC-IZIIKQMZSA-N 595.726 1.073 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(Cc1cnc(N3CCOCC3)s1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772701586 LLCCJTOQHFWCSE-UTVTVZQCSA-N 722.917 1.337 0 50 KDAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)C2CC2)CCCNC(=O)COc2ccc(cc2)C1 1775981443 UBPZBXWTFQCZJA-NDEPHWFRSA-N 531.650 1.849 0 50 KDAA CNC(=O)[C@H]1CCCN(c2cc(Br)ccc2S(=O)(=O)N2CCC[C@@H](S(=O)(=O)N(C)CCOC)C2)C1 2325823035 CEYJNHRDXZICLD-PKOBYXMFSA-N 595.582 1.473 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](On2c(-c3ccccc3)nc3ccccc3c2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 70671726 KWJKVIYKVIMPRC-CPIYQPHESA-N 568.535 1.575 0 50 KDAA biogenic CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)[C@H](O)CC(=O)O)C(C)C)C(C)C 161502452 FAXGPCHRFPCXOO-QRDDIGGQSA-N 685.904 1.467 0 50 KDAA COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 263585051 DOMDQVZWNTWBJH-XLIONFOSSA-N 559.641 1.578 0 50 KDAA biogenic CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)c2cc(F)ccc2C)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322400 GXVZNPNWUYWQCF-ZJQZVUCISA-N 734.917 1.254 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCc1nnc3ccccn13)C2 1857699789 YLCXDHBQHOEXIX-PMERELPUSA-N 577.686 1.378 0 50 KDAA CC(=O)OC[C@@]12[C@H]3[C@H](OC(C)=O)C[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@@]4(O)[C@@H]3CC[C@@]1(O)C[C@@H](OC(C)=O)C[C@H]2O 118931965 KESMJXVKHKQATP-JREXYMKZSA-N 564.628 1.346 0 50 KDAA CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@@H](c4ccc(OC)cc4)O[C@@H]23)N(C)C1 257356366 HQUXWIVLQUDOFM-GLUZZHKNSA-N 524.680 1.913 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cccnc1OC)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952857585 YMHGXMMABTWXME-RQELPRGNSA-N 708.817 1.722 0 50 KDAA Cc1nc(CN2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)n(C)c1C 952862621 PPZYXUYSWSIPOS-DEOSSOPVSA-N 518.666 1.701 0 50 KDAA CC(C)CCC(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cn2nn1 952862840 RGNMNCHPJQCDIC-AANQFLQQSA-N 537.665 1.354 0 50 KDAA Cc1cccc(-c2noc(CCC(=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)n2)c1 1704337907 HVMIGYOHICATMT-JPULVIILSA-N 825.968 1.969 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(C(=O)Cc3ccc(Cl)cc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772704231 KWUJUFDIBBQVLP-IFDYJGHISA-N 720.223 1.541 0 50 KDAA CC(=O)N1CCCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c2nc(-c3ccccc3)nn2CC(=O)NCC1 1772705114 KNRYCFQLTMKQEF-GHTZIAJQSA-N 511.627 1.412 0 50 KDAA CCOCCN1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1772713970 YYENDUKQBQIHGD-QONNDPFASA-N 623.751 1.182 0 50 KDAA CC(C)C[C@H]1NC(=O)CCCN(C(=O)C2CCOCC2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714421 PPVSSVNKLLCPFW-XUZZJYLKSA-N 581.718 1.818 0 50 KDAA COc1cc(C(=O)N2CCCC(=O)N(CCc3ccccc3)CC(=O)N[C@H]3CCc4c(c(nn4C)C(=O)NCC2)C3)ccn1 1857724669 MOIZKEHHBHNTBN-DEOSSOPVSA-N 601.708 1.535 0 50 KDAA CN(c1ccc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CC2)c2ccccc24)cc1)S(C)(=O)=O 1875240055 GRBUNGHCOOHOOQ-SSLSWHBASA-N 565.696 1.771 0 50 KDAA CO[C@H]1C[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@@H]4CC[C@@]3(O)C2)O[C@H](C)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 1903867216 KWBPKUMWVXUSCA-QIGHXHMLSA-N 696.831 1.079 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)CN1CCOc3ccccc3C1)CCNC2=O 2100534043 QXCVHBHACVZAEI-MHZLTWQESA-N 665.836 1.361 0 50 KDAA CC(C)(C)OC(=O)C(=O)N1CCN(CCCCCC(=O)Nc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)CC1 2325900141 MGNTYSRPKILGQA-HXUWFJFHSA-N 583.642 1.073 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccc(Cn3cnnn3)cc1)CCCNC2=O 2356135145 RAMQINCFGJOCEL-NDEPHWFRSA-N 630.710 1.798 0 50 KDAA N=C(N)NCCC[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 4536689 BUJDKLNYZGJQFD-HSZRJFAPSA-N 547.616 1.569 0 50 KDAA CC(=O)N[C@H]1[C@H](Oc2ccc3c(c2)Oc2cc(O)ccc2[C@@]32OC(=O)c3ccccc32)O[C@H](CO)[C@H](O)[C@@H]1O 100546304 YHERABVROCVWLO-NQESLZPDSA-N 535.505 1.283 0 50 KDAA COc1c(Cl)cc(C(=O)N[C@H]2CCCNC(=O)CN(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC2=O)cc1Cl 1704317825 KCLPFDMXOPLNJH-VZOBGQTKSA-N 705.640 1.842 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2csc(-c3ncccn3)n2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713931 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COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cn3cccnc3n1)CCCCNC2=O 1857702934 IXTBSGLAOZXCMC-RUOFSAEFSA-N 758.833 1.827 0 50 KDAA Cn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCc1ccccc1)C(=O)CCCN(S(=O)(=O)c1ccc3c(c1)OCCO3)CCNC2=O 1857726368 NQRPIAMLNCOHEL-DEOSSOPVSA-N 664.785 1.451 0 50 KDAA NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCC[C@@H](CNC(=O)Nc4ccc(F)cc4)C3)CC2=O)c1 2325879309 QGNRWXFAOIFRAV-DLBZAZTESA-N 517.583 1.886 0 50 KDAA COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@]1(OC(C)=O)C[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)C1 252694051 HQJMMMNUCZFHGX-TXDQRGGKSA-N 560.556 1.259 0 50 KDAA biogenic CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1 253387765 LYAGMCSCYXQWFA-SDHOMARFSA-N 606.680 1.677 0 50 KDAA biogenic CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)ccc12 951727058 WRRALPZPVSHMKU-YONYVYDISA-N 527.618 1.817 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(OC)c(c2)OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952856227 SVAOWKTVJNTVEI-ZKWIJXEQSA-N 649.749 1.123 0 50 KDAA Cc1cc(C(=O)N2CCC3(CC2)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)COc2cccc(c2)C3)ccc1F 952865170 NTALUTQJKMAGGS-FAQZDJIUSA-N 651.736 1.081 0 50 KDAA Cc1ocnc1C(=O)N1CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)CCC1 1704339459 HFMBDCQHXJKXND-HRAATJIYSA-N 508.579 1.439 0 50 KDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc(on2)C1 1772713813 SZBJWCLVDMEYJG-MWVDVNALSA-N 700.801 1.197 0 50 KDAA Cn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCc1ccccc1)C(=O)CCCN(Cc1cnc[nH]1)CCNC2=O 1857727400 QTEKJVBCWOGSFH-QFIPXVFZSA-N 546.676 1.214 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1875240927 JKISSMTWBUPYHX-BCHFMIIMSA-N 586.089 1.495 0 50 KDAA COc1cc(OC)cc(OC[C@@H](O)CN2CCN(C[C@H](O)COc3cc(OC)cc(OC)c3)CC2)c1 23078723 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HRETTZGYECLMKT-NGXSIQFZSA-N 676.775 1.067 0 50 KDAA C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2coc(n2)[C@@H](Cc2ccccc2)NC(=O)c2cc(on2)CN(C(=O)Cc2ccccc2)CCNC1=O 1857739727 PZPIZSLMIZDIOH-PPURIWEZSA-N 671.711 1.061 0 50 KDAA CC[C@]1(C(=O)N[C@H](CNC(=O)COc2ccc(Br)c(F)c2F)[C@H]2CCOC2)CCNC1=O 2325877433 REKLQQHPLXNKND-UPBLURMWSA-N 518.355 1.660 0 50 KDAA O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(Cc3cnc(C4CCCCC4)nc3)CCN2C(=O)[C@H](Cc2ccccc2)N1 952857333 LSIIYZQBMKDZIK-WUFINQPMSA-N 599.740 1.966 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cnnn2-c2ccccc2)CCNC(=O)COc2cccc(c2)C1 1857706972 VKFRGKLIYOQCIH-HKBQPEDESA-N 606.680 1.553 0 50 KDAA Cn1ncc2ncc(C(=O)N3CCCNC(=O)[C@H]4CN(C(=O)C5CCOCC5)C[C@@H]4c4cccc(c4)OCC3)cc21 1875242046 KVCNZNSICZJOOA-RPBOFIJWSA-N 560.655 1.978 0 50 KDAA 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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2)[C@@H]1OC(C)=O 253372636 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CC(C)C[C@@H]1NC(=O)CN(C(=O)c2ccccc2)C[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C)N(C)C1=O 1704316110 KKCLZNCTJGHYER-IXLVACLZSA-N 662.832 1.893 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(Cc2cccnc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713543 PAAYXUKTCBWIJG-PPJWLVRDSA-N 617.755 1.575 0 50 KDAA CCc1c(C)cc(C(=O)N2CCCC(=O)NCCNc3ccnc(c3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC2)c(=O)n1C 1875242426 RORRNAHIYOZUJU-MHZLTWQESA-N 615.735 1.573 0 50 KDAA O=C(C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)N1CCN(c2cccnc2)CC1 1875329447 WOYOMQVYLAAQBB-UHFFFAOYSA-N 507.982 1.278 0 50 KDAA Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4nn(C)c(C)c4Cl)[C@@H]3SC2)s1 20602285 AOVCYMCWDYMJHB-ABAIWWIYSA-N 501.015 1.686 0 50 KDAA CNC(=O)CCC(=O)N[C@H]1O[C@@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@@H]4[C@@H]5[C@H]([C@@H]6CC[C@@H]7O[C@H](NC(=O)CCC(=O)NC)[C@](C)([C@@H]5[C@@H]76)[C@H]34)[C@]12C 253596582 SWJNZTGFSRJUQQ-UXAQVFPTSA-N 582.742 1.538 0 50 KDAA 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)c(OC)c1 1704319564 XDUCGCGJGXDMPD-HFIHNMJYSA-N 749.891 1.939 0 50 KDAA C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(CO)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@@]3(O)C2)C[C@H](O)[C@@H]1O 1848443788 KISYRRMFQYIIFQ-SKHROQCLSA-N 536.662 1.573 0 50 KDAA COCCC[C@]1(C(=O)N2CCC(O)CC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857699747 XFTPUHDNTDRYIG-WJOKGBTCSA-N 577.682 1.914 0 50 KDAA COc1ccc(OC[C@H](O)Cn2c(NCCc3ccc(OC)c(OC)c3)nc3c2c(=O)[nH]c(=O)n3C)cc1 628179 PVHYCOHTSBKLAA-QGZVFWFLSA-N 525.562 1.544 0 50 KDAA CCOC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 70665885 QOODJIGZPUJBAH-PXNSSMCTSA-N 594.662 1.737 0 50 KDAA biogenic O=C1CN(C(=O)CCC2CCC2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)N1 952869113 XKNKRKUZSHVPPD-ZSEZPNIJSA-N 656.784 1.423 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1800430543 QIRYOPUHBSQXMJ-RJSONGRPSA-N 677.762 1.603 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3cc(-c4ccccc4)nn3C)C[C@@H](CNC1=O)O2 1857708200 KSTWXQKRDHMFKI-XMABBMNZSA-N 657.772 1.143 0 50 KDAA Cc1nc(O)nc(O)c1CC(=O)N1CCC(O)(c2cn([C@H]3C[C@H](C)S(=O)(=O)c4sccc43)nn2)CC1 1875358044 HHPUIIPHLNOGFK-LRDDRELGSA-N 534.620 1.057 0 50 KDAA CO[C@@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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 252694524 LSYMYCGGQIXKCY-UOAIQLIBSA-N 726.901 1.052 0 50 KDAA biogenic CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2cc(C(C)C)nc(N)n2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952864122 LMLYVFLTERHEPJ-VDALTMKYSA-N 696.850 1.059 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3COC(=O)N3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772714315 KXVCPHWVNHFFDS-DKGANWSESA-N 734.851 1.225 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCc1nnnn1-c1ccccc1)C2 1857704869 IUKKCIDKUSRUSB-WJOKGBTCSA-N 604.712 1.311 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)CO)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533375 MOEXVYBZPLDGMU-QFIPXVFZSA-N 535.601 1.006 0 50 KDAA CC[C@H](C)N1[C@@H]2O[C@@H]([C@@H]3O[C@H]4[C@@H](O3)N([C@H](C)CC)S(=O)(=O)N4[C@H](C)CC)O[C@@H]2N([C@H](C)CC)S1(=O)=O 245235577 LRTSTELZGUFNQB-XBANEDMXSA-N 554.732 1.955 0 50 KDAA Cc1ccc(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)cc1N1CCNC1=O 1772818129 MSCFXVKYQHMQRM-BXTSTYNKSA-N 728.855 1.658 0 50 KDAA C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@@]8(CC[C@@H](C)CN8)[C@@H](C)[C@H]7[C@@]6(C)CC[C@@H]54)C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 1772820039 KRQDMAXNTWLTDZ-LIOUBMGISA-N 721.929 1.963 0 50 KDAA Cc1nn(CC(=O)N2CCCOc3cccc(c3)-c3nccn3CCCNC(=O)[C@H]([C@@H](C)O)NC(=O)C2)c(=O)c2ccccc12 2100532982 QRDOBEBXOWHMMD-MNNSJKJDSA-N 615.691 1.252 0 50 KDAA CCCCC[C@H](O)[C@@H]1C(=O)O[C@H](C)[C@H](O)/C=C/C=C/C=C/C=C/C=C(/C)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O 257354992 IMQSIXYSKPIGPD-RSYNPDONSA-N 654.838 1.888 0 50 KDAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)Cn3nccn3)C[C@@H]2N1 952861547 CSACRBXMWNXYIS-SVBPBHIXSA-N 576.654 1.530 0 50 KDAA CN1CC(=O)N[C@@H]2CN(C(=O)CN3CCOC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1615706071 AOWKHPKXHXSUOH-RPBOFIJWSA-N 550.612 1.938 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc(S(N)(=O)=O)cc3)C[C@@H]1NC(=O)CC2 1772714113 AWMGKFBNTXYRBO-IGKIAQTJSA-N 608.673 1.372 0 50 KDAA Cc1cn(CC(=O)N2CCNC(=O)c3coc(n3)[C@H](Cc3ccccc3)NC(=O)c3csc(n3)[C@H](C(C)C)NC(=O)C2)c(=O)nc1O 1772816840 DDEICWDKVBVOFG-CPJSRVTESA-N 662.729 1.501 0 50 KDAA C[C@](O)(Cn1ccc2sccc2c1=O)C(=O)NCCCCNc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O 2325898778 ZZYANHWMNVSJDN-GDJIYFAZSA-N 579.635 1.224 0 50 KDAA CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 4534361 YWSYLEUAJLDOJG-SBZQNBARSA-N 730.820 1.193 0 50 KDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(I)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 245225654 BACZETLXMXQASX-LCWAXJCOSA-N 549.314 1.326 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc(N(C)S(C)(=O)=O)cc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321296 HLSNPCPPIHINFK-UJLGHMMASA-N 714.886 1.451 0 50 KDAA Cc1nc(C(=O)N[C@H]2Cc3ccc(cc3)OCC(=O)NCCN(C)C(=O)[C@H](CC(C)C)NC(=O)CCCNC2=O)cs1 1704323721 YCEJZXAAGJGVFR-GOTSBHOMSA-N 600.742 1.187 0 50 KDAA CC[C@H]1CN(Cc2cccnc2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704324455 RAXYMYJNXAJICM-NDEVUPSOSA-N 550.704 1.555 0 50 KDAA Cc1nn(CC(=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(=O)c2ccccc12 1772714154 CHHMJXWZVXKHSH-BOCWGRARSA-N 726.839 1.225 0 50 KDAA C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]45C[C@@]35CC[C@]12C 1775966419 CQGUDVRRZKLXFR-HUFFSROBSA-N 756.971 1.203 0 50 KDAA O=C1CN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857702939 JDSREFSCKJFGAZ-OAQYLSRUSA-N 567.039 1.790 0 50 KDAA CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 97943363 HULKIXRFKRCRHD-ZJZGAYNASA-N 765.699 1.061 0 50 KDAA in-vitro CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CCO)C[C@H](C)[C@@H](O)C=CC=CC[C@H](C)OC(=O)C[C@H]1OC 936069316 CLLNLNUKYLQHCK-ZMIDDQONSA-N 717.894 1.293 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2cn3ccsc3n2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772702736 IVUDSNQBJYIORI-UEVCKROQSA-N 648.746 1.533 0 50 KDAA Cc1cc(C)n(CC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC3=O)c(=O)n1 1772705412 MYYBVSQRMJMNNL-QMOBXOPCSA-N 743.862 1.182 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CCCn2cnc3ccccc3c2=O)Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C1=O 1772713752 QUYKZJPMNQTDGK-CTZUUEIXSA-N 701.825 1.439 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCN2C(=O)c3ccccc3S2(=O)=O)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1800430643 UQBLOFUJLHJDLB-CHJDUVSTSA-N 709.826 1.756 0 50 KDAA CCc1nccn1CCC(=O)N1CCCOc2cc(ccc2OC)[C@H]2CN(C(=O)c3cnccn3)C[C@@H]2NC(=O)C1 2100533062 XQLPUXKZMICKGJ-GGAORHGYSA-N 561.643 1.670 0 50 KDAA COC(=O)[C@H](C)CN(C(=O)CSCC(N)=O)[C@H](C(=O)NCC(F)F)c1ccc(OC)c(OC)c1F 2325823014 BNNJQPYVTOACJI-ZMZPIMSZSA-N 523.530 1.122 0 50 KDAA CNC(=O)c1cccc2oc(C(=O)N[C@@H]3CCCN(CC(=O)Nc4ccc(S(N)(=O)=O)cc4)C3)cc12 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Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccccn1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714073 YQCDLFCBCBFSSU-NAKRPHOHSA-N 588.713 1.965 0 50 KDAA CC[C@H](C)C[C@@H](C)CCCCCCCCC(=O)N[C@H]1CCCNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC1=O 1848442067 GEVMNTNTRNXCIJ-UAUOIYMHSA-N 762.006 1.654 0 50 KDAA CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@H](O)COc2c(Br)cc(Br)cc2Br)CC1 5313249 ZZWQZNZGDWHANW-LBPRGKRZSA-N 651.154 1.903 0 50 KDAA O=C(CCN1C(=O)C=CC1=O)NCCCOCCOCCOCCCNC(=O)O[C@H]1CC/C=C/CCC1 103691042 BJZRPWAVCDJCTC-BIWRPXHWSA-N 523.627 1.863 0 50 KDAA 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@@H](O)[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccccc1 253492310 PHASMOUKYDUAOZ-CCRYCTKCSA-N 629.747 1.677 0 50 KDAA biogenic COc1ccc(C2(C(=O)N3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)CCCC2)cc1 952869735 NNYFBHIIUNXOKU-URLMMPGGSA-N 627.746 1.976 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C(C)(C)N3CCOCC3)C[C@@H]1NC2=O 1704315995 IDUIBOLNVJSRFV-DHLKQENFSA-N 552.628 1.203 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322206 KLYPJQVWFOMKOT-FQYQUSJJSA-N 677.803 1.893 0 50 KDAA CC(C)Cc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCC(=O)N[C@@H]([C@@H](C)O)C(=O)N(CC4CC4)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H]3C2)n[nH]1 1704324068 WFRAHRYDKUOYMR-JDKKSVROSA-N 727.863 1.557 0 50 KDAA Cc1ccccc1-n1cc(CN2CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]3CCO[C@H](C2)[C@H]3O)cn1 1704345524 ZIBDJIJTUNCTOC-NYUNPUSNSA-N 701.869 1.736 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1ccc[nH]1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772705952 NLOSTWDBDRAZKB-MCPPRULHSA-N 633.754 1.013 0 50 KDAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)C2CCOCC2)CCCNC(=O)COc2ccc(cc2)C1 1857700744 KXWAXYXPJCSTGX-SSEXGKCCSA-N 575.703 1.865 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)[C@@H]3CCC(=O)N3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857740169 BLHDKUMOCIZFGX-NJSMDVHCSA-N 688.742 1.076 0 50 KDAA O=C1NCCCN(C(=O)Cn2nc3ccccc3n2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 2356135704 PLYOLTMVHCOIEA-HUOGWEQVSA-N 527.629 1.896 0 50 KDAA CC1(C)C(=O)N(C[C@H](O)CNc2ccccc2)C(=O)N1CN1C(=O)N(C[C@H](O)CNc2ccccc2)C(=O)C1(C)C 864278 ARBNOTHFMBZDLR-DHIUTWEWSA-N 566.659 1.976 0 50 KDAA CC[C@H](C)N1[C@@H]2O[C@@H]([C@@H]3O[C@H]4[C@@H](O3)N([C@H](C)CC)S(=O)(=O)N4[C@H](C)CC)O[C@H]2N([C@H](C)CC)S1(=O)=O 245235575 LRTSTELZGUFNQB-FJHIPHJXSA-N 554.732 1.955 0 50 KDAA CC[C@H](C)C(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@]5(O)[C@@H](C[C@@]42O[C@]13O)[C@@H]1CN2C[C@H](C)CC[C@H]2[C@@](C)(O)[C@H]1[C@H](O)[C@@H]5OC(=O)[C@@](C)(O)CC 253487875 SGYGAUUUPXBOSA-JEZHJEJUSA-N 693.875 1.495 0 50 KDAA CCOC(C)(C)C(=O)N1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1704321824 GKBUFALLYDISAZ-REWPJTCUSA-N 511.575 1.907 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)Cc2c(C)[nH]c3ccccc23)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704323057 SSZINRTVSNAMAU-UWFIJXDRSA-N 729.879 1.283 0 50 KDAA CC[C@H]1CN(C(=O)c2ccccn2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704323553 QUKLTXPWYOEPJT-VQPAQMSKSA-N 564.687 1.195 0 50 KDAA COc1cccc(F)c1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc(on2)C1 1772701677 AXGVXYSXXDBQRY-NIJXNBFTSA-N 650.708 1.971 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)C(C)C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772714157 CKDXNZOSDDNVJZ-GCRSFRQPSA-N 676.815 1.703 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NS(=O)(=O)c2ccc(F)cc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772817022 DXSDHSMGQJOJKN-TXQOIQMMSA-N 665.744 1.105 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)Cn2cccnc2=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817098 HCFRHIINCRUTTE-CPJSRVTESA-N 632.703 1.487 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCCn1c(C)cc(C)nc1=O)C2 1857698625 AQJMHYBBAUURLW-HKBQPEDESA-N 596.729 1.009 0 50 KDAA CC[C@@H]1NC(=O)CCCN(C(=O)CCn2cnnn2)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857703134 VCHHXNSECXKTGE-QHCPKHFHSA-N 624.674 1.957 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC)cc1 2058630 YTKXMAMDWDGVBY-SADKCHQCSA-N 503.536 1.680 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3nn(C)c4c3CCCC4)C[C@@H]1NC2=O 952858183 WWBUUJBMORGDDF-CVDCTZTESA-N 521.578 1.131 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)CCCn2cncn2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704326363 AHPCVCUDESXNQC-RVVSJWLRSA-N 775.937 1.505 0 50 KDAA Cc1cc(C(=O)N2CCCC(=O)N(CC(C)C)CC(=O)N(C)[C@H]3CCc4c(c(nn4C)C(=O)NCC2)C3)no1 1857724585 IVJDZJSTFRKSQM-IBGZPJMESA-N 541.653 1.183 0 50 KDAA CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)C(=O)N2CCC[C@H](c3n[nH]c(-c4ccccc4)n3)C2)C1=O 1875351150 MLZVTGLPRBHXLU-IBGZPJMESA-N 544.572 1.309 0 50 KDAA O=CC(=O)c1ccc(-n2cc(COCCOCCOCCOCCNC(=O)CCCC[C@H]3SC[C@H]4NC(=O)N[C@@H]43)nn2)cc1 103621612 KYCJOMMRJCOZMY-INOCPDNRSA-N 632.740 1.057 0 50 KDAA CC(C)(C)OC(=O)NS(=O)(=O)NCCNc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1 204729588 VWOMOYGWCJQWQR-UHFFFAOYSA-N 564.350 1.548 0 50 KDAA CO[C@@H]1O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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@]3(C)[C@@H]2C[C@@H]1C 253504309 BVIDWSOBXYNOCV-LWLCWESVSA-N 726.901 1.052 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(c3cncc(C(=O)N4CCCCC4)n3)C[C@@H]1NC2=O 952856099 JKWJPVVKORMTTK-URXFXBBRSA-N 548.604 1.299 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)C2(Cn3ccnc3)CC2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952856825 HLRGAPJXJMQJDE-UZNNEEJFSA-N 709.852 1.946 0 50 KDAA Cn1cc(SCC(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)c2ccccc21 952861616 FWEJFSQRHFUHLT-AHKZPQOWSA-N 628.759 1.739 0 50 KDAA Cc1c(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)cnn1C 1704317148 GAVRHZMMPKLCFA-PWUSVURUSA-N 760.922 1.788 0 50 KDAA O=C1NCCCN(C(=O)CCc2ccc(O)nn2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875242322 SBNXYRSJMIHIMK-BKCZMFJTSA-N 504.591 1.190 0 50 KDAA Cc1ccc(Cc2nnc(NC(=O)CN(C)S(=O)(=O)c3ccc4c(c3)c(=O)n(C)c(=O)n4C)s2)cc1 2325853704 ZRKBQKSCZWMNIF-UHFFFAOYSA-N 528.616 1.247 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@H]1c1ccc(C(=O)OC)cc1 2680461 KQLYPWBZICLMAW-LCPUNJGISA-N 503.536 1.541 0 50 KDAA Cc1nn2cc(CNC(=O)[C@@H]3Cc4ccc(cc4)OCC(=O)N[C@H](Cc4ccccc4)C(=O)N4CCC[C@@H]4C(=O)N[C@@H](C)C(=O)N3)nc2s1 952855883 LPPKMFDGFOBVAZ-JQAQQEILSA-N 686.795 1.059 0 50 KDAA CC(=O)NCC(=O)N1CC[C@@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952865435 QMMXCVPQSFSNJJ-BDYUSTAISA-N 500.559 1.955 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2nn(C)c(=O)c3ccccc23)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714577 XVMYVBIUMOZEBI-SACAOSOOSA-N 684.754 1.070 0 50 KDAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2cnn3ccn(C)c23)CCCNC(=O)COc2ccc(cc2)C1 1857704018 ACZLAQQGIDKIKH-HKBQPEDESA-N 610.712 1.739 0 50 KDAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(S(=O)(=O)N(C)C)CCNC(=O)CC2 1857723907 BQTUPVKKBCFFEK-QFIPXVFZSA-N 560.673 1.872 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCn1c(C)cc(C)nc1=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952857706 LZQMDUQUXKTILL-LJAQVGFWSA-N 670.771 1.862 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1cn3ccsc3n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952863308 UYWYXXAORJEOHL-NZLKIYMUSA-N 727.885 1.671 0 50 KDAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC(=O)N1CC2 1704329424 UQHSCVKYYIQBSM-NDEPHWFRSA-N 578.622 1.127 0 50 KDAA CC(=O)c1[nH]c(C)c(C(=O)N[C@H]2CCCCNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H](C)NC2=O)c1C 1704359610 VJWUFGXFSWSVPS-PBRLLCAWSA-N 774.920 1.439 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)CCc2cccnc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772702068 DHJAYCAMIAPPAN-WTWMYVDVSA-N 640.741 1.131 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)C3CC3)CN2C(=O)[C@@H](NC(=O)c2cccc(-c3ccccc3)c2)CCCCN1 1857703971 XYZQXICGHYCWSE-WKAQUBQDSA-N 617.703 1.597 0 50 KDAA Cc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CCN(C(=O)c3nccn3C)C[C@@H]1NC2=O 2356162297 GORYNSUWUUHGEK-VXKWHMMOSA-N 503.559 1.829 0 50 KDAA COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@@](NC(=O)c2ccccc2OC)(C(F)(F)F)C(=O)N3)cc1OC 1892527 RRCMRONOXDSBAE-DEOSSOPVSA-N 548.474 1.945 0 50 KDAA Cc1noc(C)c1C(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CC1 952865391 PSPNVMAMYDPOQY-VGTADKHUSA-N 687.198 1.830 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)COC)CCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772704518 UHLRZPYHJOVDNM-ZHXABWNHSA-N 773.892 1.408 0 50 KDAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CNS(C)(=O)=O)CCCNC(=O)c2csc1n2 1772816993 FMCADIBGEDUQDH-CYFREDJKSA-N 661.832 1.638 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cccnc2)CCNC(=O)COc2cccc(c2)C1 1775983160 YWGFZTDEOQGVPA-NDEPHWFRSA-N 540.617 1.367 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)[C@H]1CCC(=O)N1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1800430295 HNJBGHCBAOJGOO-KOSHJBKYSA-N 541.605 1.305 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)Cc1cn3ccsc3n1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740020 DWIGDDSRDAZGOB-BKMJKUGQSA-N 719.821 1.345 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(Cc3cnn(-c4ccccc4Cl)c3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952856240 UFXUUKNXHREXCF-NBGIEHNGSA-N 576.061 1.592 0 50 KDAA 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)n(C)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704318687 QYPARIZIASEEPR-SLCUOWJHSA-N 824.980 1.962 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)[C@H]2CCCO2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772706030 XKZVNVDEPVTGHX-BPUDTRNYSA-N 606.684 1.592 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2csc(-c3ncccn3)n2)Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C1=O 1772713778 SERSATGORLVBFQ-IQMDFIRISA-N 676.800 1.476 0 50 KDAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)[C@@H](N)CO)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857702493 CURGHVBILIXJKZ-YDZBWFOPSA-N 732.835 1.406 0 50 KDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857709369 UDPKMAWBSBKBGI-RBUKOAKNSA-N 523.569 1.501 0 50 KDAA O=C(NC12C3[C@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2)N[C@@]12[C@@H]3[C@H]4[C@@H]1[C@@H]1[C@H]2[C@H]3[C@@]1(Br)C41OCCO1 252428219 UYGAOXYUDPSWIF-FJFLNHDKSA-N 566.246 1.047 0 50 KDAA CC(=O)c1[nH]c(C)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)c1C 1704316499 RZSZEADWNHGAGM-KHGKVVRFSA-N 730.863 1.806 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)c2cn3cccnc3n2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772706022 XKRXXWSARGXLBA-FDJWOJMMSA-N 677.722 1.063 0 50 KDAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1772713546 LKSGPHKXZYYOOF-KEPSJGTLSA-N 671.799 1.087 0 50 KDAA CC[C@@H]1NC(=O)CN(C(=O)c2cnc(N3CCOCC3)nc2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775983935 WELYRGZMMHGXNT-AFPLUKJUSA-N 791.914 1.857 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3ccccc3N3CCOCC3)CCCC1=O)C2 1857727608 WDNJMCRMPAYMMG-DEOSSOPVSA-N 621.783 1.723 0 50 KDAA CCN1CC(=O)N[C@H]2CN(C(=O)Cn3ncnn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952863468 JRMCARJAKVKMSJ-ZEQRLZLVSA-N 533.589 1.173 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)C2CCN(C(C)=O)CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772714458 RMIQGVCKSASSQG-IUKTVIPNSA-N 759.905 1.306 0 50 KDAA CC(C)c1cc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)n(C)n1 1772714513 URYAEAMNSVLXOV-QLCOJLISSA-N 657.772 1.274 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]1NC(=O)CC2 1772817754 QXOKRQKIFMHZBD-OZXSUGGESA-N 559.623 1.937 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1ccc(Cn3cnnn3)cc1)CCCCNC2=O 1857706968 VFBQHAIUXOGDDD-NLPVGWCVSA-N 799.886 1.820 0 50 KDAA Cn1cc(CC(=O)N2CCCCNC(=O)[C@H](Cc3cnc[nH]3)NC(=O)c3cccc(c3)OCCNC(=O)C2)c2ccccc21 1857740286 LYSGLGOTQVWJTR-MHZLTWQESA-N 599.692 1.719 0 50 KDAA CC(=O)N[C@@H](CCCCN)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O)C(C)C 150362075 SDIAHTLXFOCEBF-VLGXOXMCSA-N 721.944 1.917 0 50 KDAA O=C(N[C@@]12[C@@H]3[C@H]1[C@@H]1[C@@H]4[C@@H]([C@@H]42)[C@@]3(Br)C12OCCO2)N[C@]12[C@H]3[C@@H]4[C@H]3[C@H]3[C@@H]1[C@H]2[C@]4(Br)C31OCCO1 252428145 RCJDUXLRIPBMPW-GCHRLOAISA-N 566.246 1.047 0 50 KDAA C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[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]43)[C@]2(C)O)C1 253527824 DHQFYEJMFMYGCV-OTAUDMLCSA-N 591.786 1.711 0 50 KDAA biogenic,in-vitro COC(=O)c1ccc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc1 409413466 FGZQBHXNNSNRCS-LKUPVBHCSA-N 519.554 1.920 0 50 KDAA biogenic COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cccnc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952861856 CGMKGHUROBLNDV-UYEZAFAQSA-N 698.821 1.932 0 50 KDAA Cc1c(Cl)cccc1C(=O)N1CCC2(CC1)CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)COc1cccc(c1)C2 952865202 NWXTUAWUZMHJQO-FAQZDJIUSA-N 668.191 1.595 0 50 KDAA Cc1onc(C(=O)N2CCCNC(=O)c3nn(C)c4c3C[C@@H](CC4)N(CCC(C)C)C(=O)CCC2)c1CO 1857740312 NAMRVWACXUUCEP-LJQANCHMSA-N 528.654 1.997 0 50 KDAA CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)CC1 1875322260 NPLDCIJLBJNHCH-NRFANRHFSA-N 523.681 1.551 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(S(=O)(=O)c1c(C)noc1C)CCCNC(=O)[C@@H](C)NC2=O 1704324053 VLSLQUKWBHLETQ-GOSISDBHSA-N 559.649 1.490 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cc(C3CC3)[nH]n2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713042 AIQJTRPSMQREHY-BPYKYCOYSA-N 660.780 1.421 0 50 KDAA CCOc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1 1775995864 KPCMXQKVFQZBND-QGZVFWFLSA-N 519.576 1.406 0 50 KDAA C[C@H](C(=O)N1CCC[C@H](N2CCN(C(=O)C3=C4CCCN=C4NN3)CC2=O)C1)c1ccc(Cl)s1 2325842573 AWRZHMQILPPJIN-GJZGRUSLSA-N 505.044 1.721 0 50 KDAA O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 20481860 NFIUIGDECDWUBD-UHFFFAOYSA-N 503.577 1.159 0 50 KDAA CC[C@@H](C)[C@@H](O)[C@H](C[C@@H](C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)[C@@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O 141073343 JUDLIJIPXOXXNS-BMOVTIQWSA-N 521.648 1.294 0 50 KDAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)C(C)(C)OC)CCCNC(=O)CC2 952858981 LQEXDPQIJJRHFB-FQEVSTJZSA-N 548.681 1.523 0 50 KDAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)CO)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1616093021 KQHPEGSJCWSAJA-RPBOFIJWSA-N 569.655 1.893 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2cc(C)n(C)n2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713040 AEPPAGLCXCJFGA-AUNWAZDDSA-N 728.851 1.403 0 50 KDAA CCOCCN1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772713162 BGEMXZJSSCOQOV-FDJWOJMMSA-N 604.708 1.216 0 50 KDAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(S(=O)(=O)N(C)C)C2 1772713632 PUGIFCMKBIRLJR-OAQYLSRUSA-N 533.651 1.649 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2cc3n(n2)CCNC3=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817764 RDNAASKRLLHBBV-DFBJGRDBSA-N 659.729 1.484 0 50 KDAA CCOCC(=O)N1CCC(C(=O)N2CCCC(=O)N(CCc3ccccc3)CC(=O)N[C@H]3CCc4c(c(nn4C)C(=O)NCC2)C3)CC1 1857724840 PGEZXLVXWVXFGO-MHZLTWQESA-N 663.820 1.092 0 50 KDAA O=C(Cc1nc(-c2ccc(NC(=O)c3cccc(CN4CCS(=O)(=O)CC4)c3)cc2)n[nH]1)NC[C@H]1CCCO1 1875328376 OPKWXIWARGZADO-HSZRJFAPSA-N 552.657 1.792 0 50 KDAA CC(=O)N[C@H](Cc1cc(I)c(OC(C)=O)c(I)c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biogenic,in-vitro 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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O 1772820027 AYWNHWGQTMCQIV-ULERTCFQSA-N 827.018 1.295 0 50 KDAA Cn1c(O)nc2ccc(S(=O)(=O)N3CCCCN[C@@H](c4ccccc4)CC(=O)NCCC3)cc2c1=O 2356136193 KEQDDPHFIPBOCN-JOCHJYFZSA-N 513.620 1.651 0 50 KDAA CN(C)C(=O)N1CCC[C@H](C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)C1 952863259 HHTCIMFFSQOUKY-QHCPKHFHSA-N 551.692 1.964 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2cnn[nH]2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772818047 XKVSZYYLOWMHTQ-JTSKRJEESA-N 591.654 1.662 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@H](NC(=O)c1cc(=O)n(C)c(=O)n1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857701503 LXJLAENULXQXBJ-TZHQXBLOSA-N 769.904 1.489 0 50 KDAA COCCC[C@@]1(C(=O)NCc2nccn2C)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857706201 DNWBSHWIJJLBCR-HKBQPEDESA-N 587.681 1.980 0 50 KDAA COCCN1CC(=O)NCCN(C(=O)Cc2ccc3c(c2)OCO3)CCC(=O)N(CCC(C)C)[C@H]2CCc3c(c(nn3C)C1=O)C2 1857741474 URXUKPAZEHSPHI-DEOSSOPVSA-N 638.766 1.561 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 43648995 VJJPUSNTGOMMGY-SSIPZTRCSA-N 588.562 1.339 0 50 KDAA CCc1ccccc1NC(=O)CCC(=O)N1C[C@@H]2CC(=O)NCCN(C)C(=O)c3cccn(c3=O)Cc3cn(nn3)[C@@H]2C1 952856739 LKVRBCLNCSCLOX-SQJMNOBHSA-N 588.669 1.061 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(CC1CC1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952862802 DXDDHOUMKMWYHR-DPOVLBOKSA-N 627.787 1.888 0 50 KDAA COCC(=O)N1CCC(C(=O)N[C@H]2CCCNC(=O)COc3cc(ccc3OC)CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)CC1 1704321524 RUYSZACMABCYHD-RLYYAAKVSA-N 764.921 1.271 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)C1CCOCC1)CCCNC(=O)[C@@H](C)NC2=O 1704322071 DZKAIQOROPOTGQ-LJQANCHMSA-N 512.611 1.449 0 50 KDAA COc1ccccc1CC(=O)N1CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1 1772713818 TURJHHHJETZUGD-CLCZQPDDSA-N 674.803 1.758 0 50 KDAA CCCCOc1ccc(C(=O)N2CCN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)CC2)cc1 9833600 RMJGABQYHGKEOH-UHFFFAOYSA-N 511.627 1.686 0 50 KDAA O=C1C[C@@H](N2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)C(=O)N1c1ccc(F)cc1 9892254 YLDBVKCUJOAFSD-JOCHJYFZSA-N 502.568 1.301 0 50 KDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(N)=O)C(=O)O)CC1 252694043 HMHBYTHXWJFQDH-LWYYNNOASA-N 518.611 1.490 0 50 KDAA biogenic CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@]2(O)[C@@H](C[C@]34O[C@]5(O)[C@@H](OC(C)=O)CC[C@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@@H]24)[C@H]2CN3C[C@@H](C)CC[C@H]3[C@@](C)(O)[C@@H]12 253487429 KDOHXSPHEMVVCM-MYYIDOSGSA-N 677.788 1.469 0 50 KDAA CO[C@H]1C[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@H]4CC[C@@]3(O)C2)O[C@H](C)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253501752 KWBPKUMWVXUSCA-OXWGWMDQSA-N 696.831 1.079 0 50 KDAA CC(=O)c1c(C)nn(CCC(=O)N2CCCNC(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]2C)c1C 1704336901 LKMVPQLHGOQVCM-ORZRXYGASA-N 637.782 1.156 0 50 KDAA CC(C)CCN1C(=O)CN(S(=O)(=O)c2cccnc2C(F)(F)F)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1875241636 DCLWZYCQPLDWAJ-LJQANCHMSA-N 641.717 1.849 0 50 KDAA C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@H](O)C[C@@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O 245224451 WRYJYFCCMSVEPQ-QGDCDDSWSA-N 780.993 1.681 0 50 KDAA biogenic CC(C)C[C@H]1NC(=O)[C@@H]2C[C@@H](CN2C)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC1=O 952857189 MMRZCPQCGDWKIZ-WMQCIHAUSA-N 532.045 1.364 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(C)=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952863980 WUGSSPNLZNYABS-DEOSSOPVSA-N 534.617 1.618 0 50 KDAA Cc1ccc2cc1OCCn1cc(nn1)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1cccc(c1)CNC2=O 1616067666 QPECAXZHZUPDAZ-CPJSRVTESA-N 575.670 1.875 0 50 KDAA Cc1ccc2c(C)c(C(=O)N3CC(=O)N4CCC[C@H]4C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H]4CCO[C@H](C3)[C@H]4O)oc2c1 1704322000 AZPXHGGFKJTYHO-CFZQWDIDSA-N 687.794 1.705 0 50 KDAA COc1ccc(-c2ccc3c(c2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCO3)cc1OC 2100533802 GAUYQWBQLLUREI-PXYMNHIWSA-N 582.654 1.100 0 50 KDAA COCC(=O)N1CCCCNC(=O)[C@]2(CCCc3ccccc32)NC(=O)CN(CCC(C)C)C(=O)C1 2356137128 GHRXKBSYXAKVJA-HHHXNRCGSA-N 500.640 1.594 0 50 KDAA CCO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@@H]12)c1nsc(NP(=O)(O)O)n1 161431869 ZCCUWMICIWSJIX-MUYGIIFXSA-O 685.708 1.220 0 50 KDAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N[C@@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 253405345 IGDRBOZJSYPRRZ-KLHJMIIUSA-N 573.668 1.967 0 50 KDAA biogenic COCCCN1CC(=O)N[C@H]2CN(C(=O)CCn3cnnn3)CC[C@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 952865860 YPPJULTWTYGPOW-RRPNLBNLSA-N 635.722 1.978 0 50 KDAA C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C 1083040772 SLAWMGMTBGDBFT-OMFVRSNXSA-N 801.024 1.120 0 50 KDAA COc1cc2ccc1O[C@@H]1CN[C@@H](C1)C(=O)NCCCCN(C(=O)Cc1cccnc1)CCCNC(=O)CC2 1704322950 MHXZVRXTTDZLAI-ZEQRLZLVSA-N 537.661 1.620 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cn(C)cn3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704329168 NXWUNXWYKFEJMW-LDTKWQAYSA-N 797.958 1.997 0 50 KDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1772701697 MLNCVUZERHAAMD-ZDQHWEPJSA-N 753.861 1.359 0 50 KDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCCC(=O)NCCO2 1857696985 HKSFIMDKLIXRGH-UHFFFAOYSA-N 501.605 1.488 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)c1cn3c(n1)CCNCC3)CCNC2=O 1857727161 MIXHXLYJCLJKPE-OAQYLSRUSA-N 627.706 1.438 0 50 KDAA O=C(N[C@@H]1CCn2nnnc2C1)c1ccnc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 1875360951 NADVCVIBZCLFJK-OAHLLOKOSA-N 537.433 1.631 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3cnc(N4CCN(C)CC4)nc3C)C[C@@H]1NC2=O 2356160092 CQVZWKWOFHGXBC-OUTSHDOLSA-N 645.717 1.265 0 50 KDAA CCOC(=O)CSc1nc(=O)c(C(c2ccccc2)c2c(N)[nH]c(SCC(=O)OCC)nc2=O)c(N)[nH]1 221528795 VVANOCUWBAFCHL-UHFFFAOYSA-N 546.631 1.508 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 248045823 VJJPUSNTGOMMGY-HRPMDNDVSA-N 588.562 1.339 0 50 KDAA in-vitro CC(C)Oc1ccc(C(=O)N2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)cc1 952856274 VWHAUBZPYSJQJI-RRPNLBNLSA-N 587.681 1.556 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1ccc[nH]1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952856649 FEIVVCQIZRWVDF-DPOVLBOKSA-N 666.780 1.646 0 50 KDAA CC(C)C(=O)N[C@@H](CO)C(=O)N1CC(NC(=O)c2cnc3sccn23)(c2ccc(Br)cc2)C1 2325860668 OYDDQQAAMVLAJO-INIZCTEOSA-N 534.436 1.759 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(c3nccc(=N)[nH]3)C[C@@H]1NC2=O 2356162728 QFUQEGHDGIUMBB-VQTJNVASSA-N 522.537 1.502 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cc3cc(C)no3)C[C@@H]1NC2=O 2356162732 QHRDAEPAAPSGER-URXFXBBRSA-N 520.542 1.631 0 50 KDAA Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)[C@H](C)n4cc(Br)cn4)[C@@H]3SC2)s1 169682050 KFVBXQPEIFIBTM-AKNJWJSBSA-N 545.466 1.897 0 50 KDAA COc1cc(NC(=O)c2cc3ccccc3cc2O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)cc1Cl 253613990 UJPWFVGXQNDAFV-LYVDORBWSA-N 519.934 1.941 0 50 KDAA CCCn1cc(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)c(C)n1 1704316600 WTYYWXOLIHHPSM-PKKTYZDQSA-N 717.868 1.574 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCn3ccc(C)n3)C[C@@H]1NC2=O 1704316623 XQKYQHICJJJPCL-DHLKQENFSA-N 533.585 1.687 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)C2CCN(C(C)=O)CC2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772703899 KRSNEGSTULJTCX-LOTJKCTMSA-N 710.877 1.981 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)CCS(=O)(=O)c3ccccc3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162666 OGAXJKPLXVTICO-XCZPVHLTSA-N 623.684 1.965 0 50 KDAA O=C(NCc1cccnc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 8440416 GSYJFVWIOGZDBE-QFIPXVFZSA-N 500.602 1.462 0 50 KDAA CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)cc1 100229799 BXDRWSPIFYOJCJ-JOCHJYFZSA-N 551.503 1.426 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cc(C)nc(O)c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704328969 QHGULRGJPLGMSG-RUZDIDTESA-N 550.616 1.760 0 50 KDAA Cc1ncc(C(=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)cn1 1772713383 IKAJLIQKINQSDI-NZQKUGFNSA-N 683.810 1.930 0 50 KDAA C[C@H]1O[C@H](O[C@H]2C[C@@H]3[C@]4(C)C[C@H](O)[C@H]([C@]5(C)CC[C@@H](C(C)(C)O)O5)[C@@]4(C)CC[C@]34C[C@@]43CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@H]23)[C@@H](O)[C@@H](O)[C@@H]1O 253503743 UPADPCUOTDTWHH-QUZDKCNISA-N 768.982 1.752 0 50 KDAA CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@@]312 253617731 NAHTXVIXCMUDLF-YKTAKDCBSA-N 574.623 1.466 0 50 KDAA biogenic,in-vitro CC(C)CC(=O)N1CCCN(C(=O)c2cccc(N3CCNC3=O)c2)CCCCNC(=O)[C@@H]2C[C@H]1CN2 1704322938 MGIRAWXOAXFKBA-GOTSBHOMSA-N 512.655 1.564 0 50 KDAA COC(=O)[C@@H](O)[C@H]1[C@@]2(C)[C@H]3CC[C@]4(C)C(=CC(=O)O[C@H]4c4ccoc4)[C@@]34OC(=O)[C@]3(O)[C@H]4[C@@]2(O)C[C@]13C 1772820145 HHKXOKUGOZKYPR-YRWBVWFVSA-N 514.527 1.188 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cnnn2-c2ccccc2)CCNC(=O)COc2cccc(c2)C1 1857706975 VKFRGKLIYOQCIH-WJOKGBTCSA-N 606.680 1.553 0 50 KDAA O=S(=O)(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 1765281 SZUZDCCPCZULNI-UHFFFAOYSA-N 585.509 1.868 0 50 KDAA Nc1nc2c(c(C(=O)N3C[C@@H]4NC(=O)c5ccc(Cl)c(c5)OCCCn5cc(nn5)CO[C@H]4C3)n1)CCCC2 952862864 MSDZPNHRDFXCHW-UNMCSNQZSA-N 553.023 1.805 0 50 KDAA COCCN1CC(=O)N[C@H](C(=O)N2CCCCCCC2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O 952864822 MDGLGEKRVOEADI-DQEYMECFSA-N 544.693 1.905 0 50 KDAA Cc1cc(-c2nn(C)c(Cl)c2CN2CC(=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)no1 1704345478 ZKSLSMIGZXHWJN-OKBMPPESSA-N 753.301 1.737 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2cc(=O)n(C)c(=O)n2C)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857741497 VRDHXTFMQXXSEE-MHZLTWQESA-N 628.690 1.121 0 50 KDAA C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[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[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C 96171514 LDCLXZSKVDYDBF-DTJUAWDLSA-N 810.975 1.237 0 50 KDAA biogenic,in-vitro C[C@@H](O)[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O 252694990 SSMKLDJJCIRAMZ-LELZANKISA-N 505.612 1.995 0 50 KDAA biogenic CCOC(=O)N1CCC(NC(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@H](Cc3ccccc3)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N2)CC1 952856233 TTZQPMXNSIIMQX-IUFAUYNMSA-N 690.798 1.067 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N(C(=O)c2cc(C)on2)CC[C@H]2CC=C(CCn3cc(nn3)CNC1=O)C2(C)C 1704321560 UKDKJGNOBLOMLO-GOHPYRRSSA-N 658.826 1.591 0 50 KDAA COc1ccc([C@@H]2CN3C[C@H]2NC(=O)[C@@]2(CCCNC2)COCC=CCN(C)S(=O)(=O)c2cccc(c2)C3=O)cc1 2325894041 PWGJUSGPXCCCOL-PVTPYKNESA-N 582.723 1.996 0 50 KDAA COCCN1CC(=O)N[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952864545 JAVGVIIYBARAGK-DQEYMECFSA-N 538.601 1.615 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cccnc1O)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952864643 NUSWWEGAASHWOM-DPOVLBOKSA-N 694.790 1.419 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)CCNC(C)=O)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704318837 RKHNFZHJPOKZFJ-BDQXTIGLSA-N 772.995 1.303 0 50 KDAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)c1cnc(-c3cccnc3)nc1C)CCCNC2=O 1857702168 CDEFNOIPOKXHBF-UHFFFAOYSA-N 504.547 1.627 0 50 KDAA CC(C)(C)OC(=O)N1CCn2c(nc(C(=O)N=c3ccn(CCN4CCNC4=O)[nH]3)c2Br)C1 1875350918 FHHHRYRDQBJLCI-UHFFFAOYSA-N 523.392 1.292 0 50 KDAA Cc1cc(C(=O)N2CCCNC(=O)[C@H]3CN(C(=O)C4CCOCC4)C[C@@H]3c3cccc(c3)OCC2)no1 1940195018 IVEOSZGXKQHLCC-PKTZIBPZSA-N 510.591 1.993 0 50 KDAA C[C@](O)(Cn1ccc2sccc2c1=O)C(=O)NCCCCNc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O 2325898780 ZZYANHWMNVSJDN-VKGTZQKMSA-N 579.635 1.224 0 50 KDAA CC(=O)N[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 150674183 ORICVOOXZDVFIP-MRZFMWOXSA-N 656.641 1.651 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccc4c(c3)OCO4)CN2C(=O)[C@H](C(C)C)NC1=O 952856707 AJWUDDIJGTXXAC-QELWWTEUSA-N 708.838 1.259 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CCCc2ccccc2)CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O 1704338305 QSEVHQWYYOKTDJ-BOEJWWCUSA-N 704.869 1.129 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@H]2OCC[C@H](NC1=O)[C@@H]2O 1704339945 RDYISWPAZYABED-NMAJUIHQSA-N 753.861 1.088 0 50 KDAA Cc1nonc1C(=O)NCC(=O)N1CCNC(=O)c2csc(n2)[C@H](CC(C)C)NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)C1 1772714270 ILQHMAVRCCEBDC-SFTDATJTSA-N 677.744 1.742 0 50 KDAA CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)Cc1cc2c(cc1OC(C)=O)Oc1cc(OC(C)=O)c(CN(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)cc1C21OC(=O)c2ccccc21 195425739 BQRGNLJZBFXNCZ-UHFFFAOYSA-N 994.865 1.964 0 50 KDAA in-vitro O=C(c1ccccc1S(=O)(=O)NC[C@H](O)COc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)N1CCOCC1 245298345 ZWKVBOMSCBJWEN-MDNUFGMLSA-N 569.636 1.333 0 50 KDAA 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)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@]1(C)O 253476496 WKKBYJLXSKPKSC-YWVMSEHSSA-N 666.849 1.406 0 50 KDAA biogenic,in-vitro C[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)N(C(=O)C2CCC2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 1704317904 KOQQZUNKFNDSSD-BBBCUWFFSA-N 600.720 1.574 0 50 KDAA CCn1ccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cc1=O 1704321509 RGIDOCSXERANMP-DHLKQENFSA-N 546.580 1.587 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCOc1cccc(c1)CC(=O)N[C@@H]1CCN(C[C@H]1O)C2=O 1704323725 UBEISUFBTCUWSU-FGZHOGPDSA-N 507.547 1.192 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)Cn2c(=O)oc3ccccc32)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713115 DSAJXVHOKJRUQQ-NQHRYMMQSA-N 673.727 1.118 0 50 KDAA Cc1nnnn1CCC(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1775978304 MMIVBGOZZVJHBD-CPJSRVTESA-N 634.723 1.615 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCCc1nnc(C)s1)C2 1857700549 WIWPSGOFPBSHGD-NDEPHWFRSA-N 572.732 1.538 0 50 KDAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)CC2)cc1 2325899421 CYCQCSZAXKIMKR-QFIPXVFZSA-N 588.708 1.440 0 50 KDAA Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)Cn4cc(Cl)c(=O)c(Cl)c4)[C@H]3SC2)s1 1567521 VTLCNEGVSVJLDN-MLGOLLRUSA-N 548.455 1.846 0 50 KDAA biogenic,in-man Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3)ccc12 60292494 LATXIQYQVGEJJC-HJOGWXRNSA-N 575.670 1.267 0 50 KDAA in-vitro CCCC[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](C(C)C)C(=O)O1 208771798 DSWZWPQYGALTJZ-WFHCOKAPSA-N 595.782 1.562 0 50 KDAA 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](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 257349229 MPNVERPXYCHWMG-DDONHBGSSA-N 724.797 1.941 0 50 KDAA CC(C)C[C@H]1NC(=O)c2ccc(cc2)CNC(=O)Cc2ccc(cc2)OCCn2cc(nn2)CNC1=O 952856502 HSHWJVWBBLBJEL-XMMPIXPASA-N 504.591 1.990 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1ccc(CCN)cc1)CCCNC(=O)[C@@H](C)NC2=O 1704316868 CXWXYDQYWJYRJV-OAQYLSRUSA-N 547.660 1.837 0 50 KDAA 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)cn1 1704323822 ZESCVZNLKQMMCN-XZQSQWLPSA-N 704.854 1.625 0 50 KDAA CCCn1cc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)c(C)n1 1772714524 VMQJZSBRLUSFML-WTWMYVDVSA-N 657.772 1.332 0 50 KDAA Cn1cc(C(=O)N(CCCC[S@](C)=O)[C@H](C(=O)NCC2CC2)c2cn3ccccc3n2)n(C)c1=O 2325839032 HAIMREHLOIQIBM-PBTUJPDXSA-N 500.625 1.240 0 50 KDAA NS(=O)(=O)c1cccc(-n2cc(C3(O)CCN(C(=O)[C@H]4CC(=O)N(c5ccc(F)cc5F)C4)CC3)nn2)c1 2325853270 KCHTYJANIAXKFN-HNNXBMFYSA-N 546.556 1.056 0 50 KDAA CCOC(=O)[C@H]1CCCN(C(=O)Cn2c(=O)ncc3cc(S(=O)(=O)N4CCCC[C@H]4C)ccc32)C1 245253971 VVEIQHRXBJJYGV-MSOLQXFVSA-N 504.609 1.761 0 50 KDAA Cc1ccc2c(c1)C(=O)NCc1cccc(c1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)NCc1cn(nn1)CCO2 952856072 HCMPJZTWKFRWBG-CLOONOSVSA-N 561.643 1.484 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)CN2CCOc3ccccc3C2)CCCNC1=O 1704323061 OMZLBZGAGXTPOT-DUIWDDNPSA-N 648.805 1.383 0 50 KDAA O=S(=O)(c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1)N1CCOCC1 20530089 FZPPGSCJFVXKOU-UHFFFAOYSA-N 510.663 1.411 0 50 KDAA CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O 150352999 PBLMMVDDGREFKH-DLXWRWKMSA-N 882.036 1.594 0 50 KDAA CNC(=O)CCC(=O)N[C@H]1O[C@@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@@H]4[C@@H]5[C@H]([C@@H]6CC[C@@H]7O[C@H](NC(=O)CCC(=O)NC)[C@](C)([C@H]5[C@@H]76)[C@H]34)[C@]12C 253596581 SWJNZTGFSRJUQQ-GRPYBRIBSA-N 582.742 1.538 0 50 KDAA COc1cc([C@H](CC(=O)NCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)ccc1O 888089454 DRDGSQJTPIBKFL-HOJAQTOUSA-N 549.580 1.814 0 50 KDAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)[C@@H]2CCC(=O)N2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704324088 XBYOIQWSBAQIMT-KXPDCAMVSA-N 676.815 1.589 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CN3CCCCC3)C[C@@H]1NC(=O)CC2 1772707171 TVDWUMQOAAZING-IGKIAQTJSA-N 550.656 1.897 0 50 KDAA COC(=O)[C@H](C)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 70669923 PVXVBVRGZUTEDV-ABSDTBQOSA-N 594.662 1.735 0 50 KDAA biogenic Cc1onc(-c2ccccc2)c1C(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC2=O 1772713407 HLKJFDUAAZYBTL-FXZLDBAYSA-N 752.825 1.922 0 50 KDAA CCn1nc(C)cc1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc(on2)C1 1772713506 OJCXVNXJVIAORF-NQHRYMMQSA-N 634.738 1.348 0 50 KDAA COCCC[C@]1(C(=O)NCCCO)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857702304 HXMJJMPKBDPTMM-GDLZYMKVSA-N 551.644 1.429 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1ccc(=O)n(C)c1)CCCNC(=O)[C@H]1CN(C(=O)c3nn(C)cc3Cl)C[C@H]21 1875241343 BAWRLWYXVOVFPM-RTWAWAEBSA-N 597.072 1.678 0 50 KDAA COC[C@@]12CC[C@H](OC)[C@@]34[C@H]1[C@H](OC)[C@@H]([C@H]3N(C)C2)[C@]1(OC(C)=O)[C@@H](O)[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccccc1 245204632 FIDOCHXHMJHKRW-CEMFYANESA-N 615.720 1.287 0 50 KDAA biogenic CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O 255961746 ADBHAJDGVKLXHK-RHCFEVFPSA-N 864.010 1.077 0 50 KDAA Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12 257355025 JLKJMNJZJBEYLQ-CCDWMCETSA-N 665.748 1.401 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)CCN1CCCCCC1=O)CCCNC(=O)[C@@H](C)NC2=O 1704321696 WCFSKFKZCXSMRQ-JOCHJYFZSA-N 567.691 1.815 0 50 KDAA Cc1cc(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)ccc1O 1772713220 HMOYPJMZUNYXOC-PPJWLVRDSA-N 660.776 1.834 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CN2CCOC2=O)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713889 VJNSEUOTIQHGDI-ZQLNOWDWSA-N 684.795 1.175 0 50 KDAA O=C(CCc1ccccc1C(=O)O)NCCOCCOCCOCCn1cc(-c2cncs2)nn1 1875327140 RVNMMYOQGXLWPX-UHFFFAOYSA-N 503.581 1.899 0 50 KDAA Cc1c(CN2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCC2)c(=O)n(-c2ccccc2)n1C 1704317961 LTDVRNFIZXNVEC-NTKDMRAZSA-N 512.655 1.232 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2ccc(C(F)(F)F)nc2)C[C@H](Cc2ccccc2)NC1=O 1704321145 FCJMCUYXXKELAR-AHMOOEFLSA-N 630.668 1.920 0 50 KDAA COc1ccc(OC)c(S(=O)(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)c1 1772701860 ANKMWJNVUBVLTD-QRQMUESOSA-N 751.859 1.552 0 50 KDAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2nonc2C)CCNC(=O)COc2cc(ccc2OC)C1 1775981971 FFXQQCZPCXFMTQ-GDLZYMKVSA-N 585.658 1.826 0 50 KDAA COc1cc(N2CC[C@H]3Oc4ccc(cc4)CNC(=O)COc4cc(ccc4OC)C(=O)N[C@H]3C2)nc(OC)n1 2356162639 NUGDIUJCCNLLMI-LEWJYISDSA-N 549.584 1.967 0 50 KDAA O=C1CCc2cc(S(=O)(=O)N3CCOCCOCCN(S(=O)(=O)c4ccc5c(c4)CCC(=O)N5)CCOCCOCC3)ccc2N1 150343926 SFFZRGFUULKWOD-UHFFFAOYSA-N 680.802 1.218 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCCn3cccn3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321905 HUYUTPOAYRLHMQ-HBMTYJCASA-N 639.798 1.418 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cccnc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772701978 IRGBMBZUCLLNIR-SGIRGMQISA-N 631.738 1.215 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccc(Br)cn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1848442272 QACCEXUDTIMBQQ-YYTXDEJISA-N 562.395 1.214 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)CNS(=O)(=O)c3cccs3)C[C@@H]1NC2=O 2356162714 PTYICBFTTFGZEY-FCHUYYIVSA-N 632.692 1.661 0 50 KDAA COc1cc(NC(=O)c2cc3ccccc3cc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)cc1Cl 253613991 UJPWFVGXQNDAFV-NKGRKIGWSA-N 519.934 1.941 0 50 KDAA COc1cc(N2C(=O)N[C@H](CCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)C2=O)cc(OC)c1OC 888090286 PTUSGMGTMFDZOL-JFRXWTBNSA-N 514.579 1.777 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)[C@@H](N)Cc1ccccc1)CCCNC(=O)[C@@H](C)NC2=O 1704321853 GZRCMPKIPYRYOI-BWKNWUBXSA-N 547.660 1.592 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc[nH]3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704325185 ZCRNDBHWBZPWON-IFKAHUTRSA-N 596.729 1.383 0 50 KDAA CN1CCCN(C(=O)c2cc3cc(c2)C(=O)N[C@H]2CN(S(=O)(=O)c4cccs4)C[C@@H]2Oc2ccc(cc2)CNC(=O)CO3)CC1 1772703849 FOQBYQSJMDVLDK-SVBPBHIXSA-N 653.783 1.785 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)c2cccnc2C(F)(F)F)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714021 YNQCUVFRVSHUCY-QZNHQXDQSA-N 735.790 1.783 0 50 KDAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cc3n(n2)CCNC3=O)CCNC(=O)c2csc1n2 1772714349 MTJPTSVTFAFRNQ-SFTDATJTSA-N 673.756 1.874 0 50 KDAA Cc1cc(C)n(CC(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)c(=O)n1 1772818163 NWYOUWWNNSEWNO-VIZCGCQYSA-N 647.781 1.130 0 50 KDAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)CCn2cnnn2)CCNC(=O)COc2ccc(cc2OC)C1 1775981834 XCBSCASBHHAZLC-PMERELPUSA-N 615.732 1.534 0 50 KDAA Cc1cccc(N2CCN(CC(=O)N3CCCNC(=O)c4nn(C)c5c4C[C@@H](CC5)N(C)C(=O)CCC3)CC2)c1 1857723885 ATFJUWHECCQDCW-HSZRJFAPSA-N 549.720 1.609 0 50 KDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(I)cc2)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 245225655 BACZETLXMXQASX-USYVTKNRSA-N 549.314 1.326 0 50 KDAA CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@]2(OC(C)=O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1 252694647 NVRARSGXIJPRDK-JLHFOXLWSA-N 729.820 1.790 0 50 KDAA biogenic C[C@@H]1NC(=O)[C@@H](NC(=O)CCCc2nc(-c3ccncc3)no2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714271 INNDUINTDYTMPG-QZFRTWIZSA-N 722.803 1.571 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)C2(COC)CC2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775983799 CEFNRXFSUZKVHD-CPJSRVTESA-N 584.718 1.948 0 50 KDAA COc1ccc(OC[C@@H](O)Cn2c(NCCc3ccc(OC)c(OC)c3)nc3c2c(=O)[nH]c(=O)n3C)cc1 822338 PVHYCOHTSBKLAA-KRWDZBQOSA-N 525.562 1.544 0 50 KDAA CCCC[C@@H]1NC(=O)c2ccc(C)c(c2)OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952856966 ULQPCVUSGKYGMK-DQFIBICCSA-N 619.723 1.177 0 50 KDAA Cc1ccc2cc1OCCn1cc(nn1)CNC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952858550 CFXODCGPGYYJMS-ZOSUSCCZSA-N 575.670 1.282 0 50 KDAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)C2(C(N)=O)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704323528 UWUYCAWWEMLPGB-BWAIROOZSA-N 676.815 1.576 0 50 KDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC2=O 1772701546 NIEHGNOXTREILC-KITUAILOSA-N 756.832 1.816 0 50 KDAA Cn1cc(C(=O)N2CCCCNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(n3)NCCNC(=O)C2)ccc1=O 1857740198 DAKZHSMPWMOQCC-SANMLTNESA-N 612.691 1.183 0 50 KDAA Cc1ccc2c(c1)C(=O)N[C@H](Cc1c[nH]c3ccccc13)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)NCc1cn(nn1)CCO2 952856224 SQDYLYXOFCMXDF-LVPRMVSMSA-N 614.707 1.763 0 50 KDAA COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)CNC2=O 952858008 ZBDDHZSZFLMOTI-CJFMBICVSA-N 605.696 1.965 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cn(C)cn2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713533 OZAOKNMJSLVOBO-ZQLNOWDWSA-N 665.796 1.770 0 50 KDAA O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 1875253582 KAQGDOYDZFQRPK-UHFFFAOYSA-N 583.132 1.627 0 50 KDAA Cc1nnnn1CCC(=O)N1CCCOc2cccc(c2)-c2nccn2CCNC(=O)[C@@H](CC(C)C)NC(=O)C1 2100533799 FXLFBZOOTVHZCL-HSZRJFAPSA-N 551.652 1.194 0 50 KDAA O=C1CC[C@@H](N2C(=O)c3ccc(NC(=O)CN4CCN(Cc5ccc(Cl)cc5)CC4)cc3C2=O)C(=O)N1 2325899933 FGMSJLVNYSMLRF-OAQYLSRUSA-N 523.977 1.498 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2cccc3cc[nH]c23)C[C@H](Cc2ccccc2)NC1=O 1704323605 RPCOVDVIJVZQDS-AGPWEBJKSA-N 600.720 1.988 0 50 KDAA CC[C@@H]1NC(=O)CCCN(C(=O)CO)CCCNC(=O)c2ccc(OC)c(c2)Oc2ccc(cc2F)CNC1=O 1857700107 MZAPJWJMHSKRJG-NRFANRHFSA-N 558.607 1.872 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@H]2CCC(=O)N2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857706063 IQIKYUNAIIKDOY-BVAGGSTKSA-N 573.654 1.688 0 50 KDAA Cc1ccc(C)c(-c2n[nH]cc2CN2CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(C)c(c3)OCCNC(=O)C2)c1 1857740511 QOBDIZXGSHWPOC-ZBLYBZFDSA-N 562.671 1.608 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@@H](OC)[C@]34[C@H]2[C@H](OC)[C@@](O)([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 252426644 IPWQJEONCUFCOR-QHYWXSNFSA-N 710.821 1.952 0 50 KDAA Cc1nn(CC(=O)N2CC(=O)N[C@@H](Cc3ccccc3)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](c3ccccc3)C2)c(=O)c2ccccc12 1704316066 JJMZCNGONHYXKM-IHRIEYBUSA-N 778.911 1.625 0 50 KDAA CC(C)C[C@@H]1NC(=O)CCCNC(=O)[C@@H](NC(=O)c2ccc3c(c2)CCO3)Cc2ccc(cc2)OCC(=O)NCCN(C)C1=O 1704318016 MNERDBOVDYZKJI-SVBPBHIXSA-N 621.735 1.357 0 50 KDAA COc1ccc(CC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)cc1 1772703659 HTOLZWZTTXSETP-ZDQHWEPJSA-N 699.805 1.923 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cn2c(C)cc(C)nc2=O)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713781 SJCGJBACDNYPDK-OWVWTFTDSA-N 721.860 1.597 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2c(C)noc2C)CCNC(=O)COc2cccc(c2)C1 1775978823 VXCMXDYIXJAYPE-NDEPHWFRSA-N 558.632 1.577 0 50 KDAA Cc1ccccc1N1CCN(S(=O)(=O)C[C@]23CC[C@H](C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 3923061 MWIASLNTAGRGGA-ZJPWWDJASA-N 554.779 1.520 0 50 KDAA in-vitro Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1OC(=O)c1ccc(C(=O)c2ccccc2)cc1 98052539 WSINRQSTSKCAEN-UGTJMOTHSA-N 715.398 1.467 0 50 KDAA in-vitro CC(C)n1cnnc1CN1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772705481 TVSKFKLAJXSGPL-LBNPDIFZSA-N 655.760 1.552 0 50 KDAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)c1cc(N2CCOCC2)no1)CCNC3=O 1775981664 CAIZEEGSXTWDIE-VIZCGCQYSA-N 755.877 1.684 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)c3cnc4ccccc4n3)CN2C(=O)[C@@H](NC(=O)COc2cccc(Cl)c2)CCCCN1 1857699737 WZZYUEXRCSZFAM-GIPULPQISA-N 694.145 1.196 0 50 KDAA CC(C)CCN1C(=O)CN(C(=O)CCn2cnc3ccccc3c2=O)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857741623 HJHJWSWWEFSGSO-HSZRJFAPSA-N 632.766 1.373 0 50 KDAA O=C1NCCN(C(=O)c2cccc3c2COC3)CCCOc2cccc(c2)[C@H]2CN(C(=O)CN3CCOCC3)C[C@H]12 2100533870 JHTCOFFNQNMDKS-SXOMAYOGSA-N 562.667 1.632 0 50 KDAA CCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2NC(C)=O)nnc1-c1ccccc1 249690749 KTNMCEHJGUQNFK-KPUUQYQLSA-N 534.591 1.713 0 50 KDAA Cc1nc(CCC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)n[nH]1 952856686 KYUSJCPOYHCSHV-ICSRJNTNSA-N 514.974 1.299 0 50 KDAA CCOc1ccc(C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1OCC 952864003 HGYMWQPHZJOTNU-NZQKXSOJSA-N 577.642 1.191 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CCCNC(C)=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322974 MPESEOANEANFLD-SLCUOWJHSA-N 817.001 1.866 0 50 KDAA COc1ccc2cc1OCCCNC(=O)C1(OC)CCN(CC1)C(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1775981058 HPVLQTXFLQYZBN-QHCPKHFHSA-N 566.655 1.449 0 50 KDAA O=C1CC[C@H](N2C(=O)c3ccc(NC(=O)CN4CCN(Cc5ccc(Cl)cc5)CC4)cc3C2=O)C(=O)N1 2325899932 FGMSJLVNYSMLRF-NRFANRHFSA-N 523.977 1.498 0 50 KDAA Cc1sc2ncn(CC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2c1S(=O)(=O)N1CCOCC1 3650464 NFSHQPMTPTUKJL-UHFFFAOYSA-N 517.633 1.136 0 50 KDAA NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ccnc3cc(-c4cccc(SC(F)(F)F)c4)nn23)[C@H](O)[C@@H]1O 205807767 KJDAGXLMHXUAGV-DGWLBADLSA-N 519.527 1.751 0 50 KDAA CC(=O)O[C@@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@]3(C)[C@H]([C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C[C@H]4[C@H]3CC[C@@]3(C)[C@H]([C@]5(C)CC[C@@H](C(C)(C)O)O5)[C@H](O)C[C@]43C)C2(C)C)[C@@H]1O 253610341 SGWGNFPPYZHYQH-QSGAUBNBSA-N 829.034 1.541 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)[C@@H]1CCCO1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952855845 HJVRUWPPNNZBGN-DFXUFIHISA-N 671.796 1.184 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1772700987 LGHBAFSMQXGDKH-QQZWCRNPSA-N 679.771 1.041 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CCC(F)(F)F)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713808 SVFMJKLHASGPOF-TUNNFDKTSA-N 650.703 1.849 0 50 KDAA O=C(CN1C[C@H](O)[C@H](O)[C@H](O)C1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 2325860555 LELOXEYRCOQTOP-PHXBYCTMSA-N 512.426 1.483 0 50 KDAA C[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@@H](O)CO[C@@H]2O[C@@H]2[C@@H](O[C@@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@H](O)[C@]6(C)CC[C@@]45C)[C@@]3(C)CO)O[C@H](C(=O)O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2332922363 IBZLICPLPYSFNZ-TUYHGIBXSA-N 913.108 1.344 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)C3CCOCC3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704318038 MXHMQKDVGFEPBY-CVDCTZTESA-N 516.639 1.125 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(CC=C(C)C)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704326829 OMWOJMJUXSACFS-YUZJIJRXSA-N 559.777 1.879 0 50 KDAA COCCN1CCC(C(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)CC1 1704358181 DPECAIVLWRQHDN-IGKIAQTJSA-N 566.655 1.450 0 50 KDAA COCC(=O)N1CCCOc2cc(ccc2OC)-c2nc(c(C)o2)CNC(=O)[C@H](C(C)C)NC(=O)C1 1775980938 DPDLGFCCFHHLGM-QHCPKHFHSA-N 502.568 1.673 0 50 KDAA Cc1ccc(CCC(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c4ccc5c(=O)n(C)cnc5c4)C(=O)N3C2)c(C)c1 1857699358 SDLLRLBKEDSLOP-DSSYMDFGSA-N 715.808 1.017 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cc3ccc(Cl)c(Cl)c3)CN2C(=O)[C@@H](NC(=O)c2ccncc2F)CCCCN1 1857704254 KOEOCCQRBQMZIG-WFBMQCHUSA-N 679.533 1.604 0 50 KDAA O=C(CN1C(=O)c2ccc(Br)cc2C1=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1 59608466 FSLYGZQACRDOHH-UHFFFAOYSA-N 523.361 1.809 0 50 KDAA CCC[C@@H](C(=O)N1CCN(C(=O)[C@@H](CCC)N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 245295362 DJSIYJKKISUKBH-YGEXHPAGSA-N 576.694 1.609 0 50 KDAA CNC(=O)CCC(=O)N[C@H]1O[C@@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@@H]4[C@@H]5[C@H]([C@@H]6CC[C@@H]7O[C@H](NC(=O)CCC(=O)NC)[C@@](C)([C@H]34)[C@H]5[C@H]76)[C@]12C 253596583 SWJNZTGFSRJUQQ-WFNUCDNTSA-N 582.742 1.538 0 50 KDAA CCC[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)CCNC1=O 952859391 VJTSYIGRNPMUAM-ZEQRLZLVSA-N 596.088 1.773 0 50 KDAA COc1cccc(CC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1 952861818 BWHYLUBELPZJMR-SANMLTNESA-N 544.656 1.928 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952868417 NZKAOIVWPIXYNK-XBDRXADTSA-N 661.800 1.951 0 50 KDAA Cc1cccn2c(CC(=O)N3CCCNC(=O)[C@H](Cc4ccccc4)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]3C)cnc12 1704323544 VGHSYCNQYZENSI-IXLXJOPFSA-N 617.751 1.249 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc4c(c3)OCCO4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321141 FACNIJQSMZIGAB-CSZVXOJQSA-N 665.788 1.826 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CN(C(=O)Cc2cc(F)ccc2C)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704327854 IHPUTPBTVCKJOH-YDKTWCFASA-N 712.889 1.634 0 50 KDAA COc1ccc(CC(=O)N2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)cc1OC 1772703777 NXRGZBSPYVNGLT-CLCZQPDDSA-N 704.829 1.766 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)Cn1cnnn1)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775981652 BVVSNQBGXXYUHH-JOCHJYFZSA-N 588.625 1.300 0 50 KDAA COc1ccc(-c2noc(CN3CCN(C(=O)C4=NN(c5ccc(F)cc5)[C@@H](C(N)=O)C4)CC3)n2)cc1 1875257903 SNKJNCQIDMMFRE-OAQYLSRUSA-N 507.526 1.649 0 50 KDAA O=C1CC[C@H](N2Cc3c(cccc3S(=O)(=O)N3CCCN(C(=O)CCc4ccccc4)CC3)C2=O)C(=O)N1 2325899251 XIQHIKAQPVVLEJ-QFIPXVFZSA-N 538.626 1.303 0 50 KDAA CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(OCc3ccccn3)CC2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952861802 HKEBUEKJDQPVJR-QKTNPYJGSA-N 662.788 1.346 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3scc4c3OCCO4)C[C@@H]1NC2=O 952864089 LAPODOSDLCOLLS-LPHOPBHVSA-N 527.559 1.352 0 50 KDAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)Cn3cnnn3)CC[C@@H]1OCc1cccc(c1)O2 1615704187 KUPWKISJFGZSSK-RPWUZVMVSA-N 549.588 1.252 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(Cc3cc(=O)c4cc(C(N)=O)ccc4[nH]3)CC2)Oc2ccc(cc2)OCCNC1=O 1772706327 YYIVMRGBCSMFOL-TZNXZYKKSA-N 751.841 1.286 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)c1csc(-c3ccccc3)n1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1857740050 FQUBVRJNHUILHO-KOSHJBKYSA-N 565.652 1.365 0 50 KDAA Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCNC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)c4cccc(n4)NCCNC(=O)C3)ccc21 1857740303 MQGHUNGLRYGQKU-SANMLTNESA-N 688.767 1.478 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4cnn(C)c4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533904 KTXPCINVWCCALL-HKGUVJOISA-N 506.651 1.485 0 50 KDAA O=C1CC[C@@H](N2Cc3c(cccc3S(=O)(=O)N3CCC(Oc4ccc(F)cc4)CC3)C2=O)C(=O)N1 2325898878 BAPMLEAUTOMYGC-HXUWFJFHSA-N 501.536 1.819 0 50 KDAA CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(F)c(Cl)c1 16425219 JTXRUIXYXVKEAI-UHFFFAOYSA-N 505.977 1.905 0 50 KDAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccc(-n3cccn3)cc2)NC1=O 952862137 LXMJJKBKLNZBGQ-JNCCLRFMSA-N 691.789 1.832 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)CCCn2cnc3ccccc3c2=O)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704323375 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COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)CN(C)Cc1cccnc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704321610 BUDBNPLPTWXANQ-OGLWZABDSA-N 743.906 1.913 0 50 KDAA COCCC(=O)N1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)[C@@H](CC(C)C)NC(=O)CCC1 1704322018 BSZWNBFHSULPLF-DFCKQENNSA-N 603.761 1.266 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1ccc(=N)[nH]c1)CCCNC(=O)[C@H]1CN(C(=O)CCn3nc(C)cc3C)C[C@H]21 1875240636 FQMYAGAMMDKJDB-RPBOFIJWSA-N 589.697 1.990 0 50 KDAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)C4CCOCC4)C3)CN2C1=O 2100532965 OXPYDSVMRVWPOQ-ZRCDDJQWSA-N 538.689 1.895 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)CN1CCOC1=O)CC(=O)N[C@H]1CN(C(=O)c3cccc(C)n3)C[C@H]21 2100534123 UZADJPUSMKNJOX-IRLDBZIGSA-N 551.600 1.186 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CCn2cc(Cl)cn2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714133 BKFAXCQKKHLJOV-SGIRGMQISA-N 683.214 1.447 0 50 KDAA O=C1CN(C(=O)c2cn3cc(Cl)ccc3n2)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857741085 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Cc1ccc2cc1OCCNC(=O)CN(Cc1ccc(-c3ccccn3)cc1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1857724832 OYXPTYISQUCPTO-PIKZIKFNSA-N 545.640 1.663 0 50 KDAA CC(C)CC(=O)N1CCCC(=O)N(CCc2ccccc2)CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCC1)C2 1857724921 SDCDTZOHMGONRU-QHCPKHFHSA-N 550.704 1.863 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3ccncc3)C[C@@H]1NC2=O 2356162384 IVCYRQYOMJBCGJ-CPJSRVTESA-N 532.553 1.809 0 50 KDAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2ccccc2F)NC1=O 952863093 SEVXQFJGCRQQMU-UISMFSQSSA-N 657.743 1.828 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(S(=O)(=O)N3CCCC3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323322 GEWOJYSPQFSLEE-OVEKGFIISA-N 823.030 1.764 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cc(F)cc(F)c2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704341185 QVUDHEYMYAKAHU-QMBLUYATSA-N 751.832 1.570 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(Cc3ccc4c(c3)OCCO4)CC2)Oc2ccc(cc2)OCCNC1=O 1772706535 REGOFDXVXARAGF-RVQNBHMFSA-N 715.804 1.089 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cnc(N3CCOCC3)nc1)CCCCNC2=O 1857697469 WBMUIHIRZCZXRK-NOYIBSPZSA-N 804.902 1.411 0 50 KDAA O=C1Cn2cnc3c2[C@H](c2cccc(c2)OCCCN1)N(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)CC3 1857702961 KFPNKNRPGHNHAF-VWLOTQADSA-N 549.609 1.491 0 50 KDAA O=C1CN(C(=O)c2ccccn2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740349 FWILGKYJXJFJAN-SANMLTNESA-N 582.665 1.880 0 50 KDAA CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)(C)C(N)=O)C(C)(C)C)C(C)(C)C 150346019 BPXWGHGGONTPAN-DOSYHTAQSA-N 656.781 1.623 0 50 KDAA COc1ccc2cc1O[C@@H]1CN[C@@H](C1)C(=O)NCCCCN(C(=O)c1oc(C)nc1C)CCCNC2=O 952857717 RVWVOXAYOFKMDX-PMACEKPBSA-N 513.595 1.582 0 50 KDAA 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O=C(/C=C/c1ccc(O)cc1)OC[C@@H]1O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H](O)[C@H]1O 137664569 DVGGLGXQSFURLP-UWMAFTTJSA-N 594.525 1.725 0 50 KDAA endogenous,in-man COc1cccc(CC(=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 1704321353 KFQCZWWZLBJJQM-AURLEMJNSA-N 733.892 1.859 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3COCCN3C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713819 SHKHRYGNWZLSBX-ALRFSSSPSA-N 748.922 1.447 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(Cc1c(C)noc1C)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714300 KAXLZRFRGSRCKB-OQTGDVNSSA-N 649.797 1.649 0 50 KDAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(S(C)(=O)=O)CCNC(=O)COc2ccc(cc2OC)C1 1857689160 KCCMGYXOLCZBKL-HHHXNRCGSA-N 569.721 1.890 0 50 KDAA COCCC[C@@]1(C(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857699761 XQGZTHNAKSZGPN-PTCHNJPJSA-N 633.746 1.521 0 50 KDAA CCOC(=O)CCCNC(=O)[C@H](N(C[C@H](F)CO)C(=O)c1cc(CCCO)on1)C1(C(F)F)CCC1 2325838916 CSNPNJAIVXAEEB-KXBFYZLASA-N 521.533 1.636 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(C(=O)OC)cc1 2680460 KQLYPWBZICLMAW-GOBJLOIFSA-N 503.536 1.541 0 50 KDAA Cn1c(=O)c2c(nc(SCC(=O)Nc3nn(-c4ccccc4)nc3C(N)=O)n2Cc2ccc(Cl)cc2)n(C)c1=O 3624238 ZEFJCGGKWQGNPZ-UHFFFAOYSA-N 580.030 1.546 0 50 KDAA Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@H](C[C@@H]2NC(=O)[C@H](N)CCS(C)(=O)=O)C3(C)C)CC1 103845900 MWIASLNTAGRGGA-PMIMVTRFSA-N 554.779 1.520 0 50 KDAA CCN1C[C@@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@@H](OC)[C@@]34[C@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@H]6OC)[C@@](O)([C@@H](OC)[C@H]32)[C@H]14 253487675 NXAZXMKMGPWXII-IMTPXSCGSA-N 699.842 1.586 0 50 KDAA CO[C@@H]1CC(=O)O[C@@H](C)CC=CC=C[C@H](O)[C@@H](C)C[C@H](CCO)[C@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H]1OC 936069317 CLLNLNUKYLQHCK-ZVGYGVJMSA-N 717.894 1.293 0 50 KDAA 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669.849 1.156 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CC[C@@H]1NC(=O)NC1=O)CCCCNC2=O 1857705606 NVFCGPHUJRCFQR-PZGXJGMVSA-N 666.732 1.594 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3csc(-c4ccccc4)n3)C[C@@H](CNC1=O)O2 1857714211 NFDOXVKBAKMELS-IYOUEGCASA-N 660.797 1.866 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 2084393513 VJJPUSNTGOMMGY-YSRZUTGHSA-N 588.562 1.339 0 50 KDAA Cc1cn(CC(=O)N(CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC(=O)O)c(=O)[nH]c1=O 114606368 REUYSHQBEXUIRY-UHFFFAOYSA-N 506.515 1.297 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)[C@@H]1CCCCN1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952857714 MGJOTGGQUSXKMD-SVBPBHIXSA-N 603.724 1.740 0 50 KDAA Cc1ccc2cc1OCCn1cc(nn1)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN(C)C)NC2=O 952865736 RGZUSUYNNXURGT-UIOOFZCWSA-N 561.687 1.853 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccccc2N2CCOCC2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713058 BBJPNAVFTNOYIT-LGXAAPQCSA-N 696.805 1.254 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cccc3c2OCCO3)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714438 QLXHGXMLSOSUJY-PPJWLVRDSA-N 688.786 1.591 0 50 KDAA CC(=O)OC[C@]1(O)[C@@H](O)C[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]12 1772820262 LUDMVJVLHCEECS-HPEVXLINSA-N 558.621 1.379 0 50 KDAA CC(C)C[C@H](N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)O)[C@@H](C)O)C(C)C)C(C)C 150339235 BXIFNVGZIMFBQB-DYDSHOKNSA-N 877.053 1.225 0 50 KDAA in-vivo CCCCN1[C@H]2O[C@H]([C@@H]3O[C@H]4[C@@H](O3)N(CCCC)S(=O)(=O)N4CCCC)O[C@H]2N(CCCC)S1(=O)=O 245236322 RHDVHUPVZSQBQH-OBHIHTNZSA-N 554.732 1.962 0 50 KDAA Cc1cnc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](CCc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N2)cn1 952858709 GJCLZCWKYVCPIR-SUFMYBPMSA-N 655.756 1.134 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(C)cc(F)c3)CN2C(=O)[C@H](C(C)C)NC1=O 952861755 AHSGXSGGYHJNOX-YFVDCHTDSA-N 696.846 1.978 0 50 KDAA CCOC(=O)C1CCN(C(=O)[C@H](C)Sc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325900562 AEKNIABLYUMRFT-UGSOOPFHSA-N 501.561 1.370 0 50 KDAA Cc1nn(CC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c(C)c1C 952865209 NYGOMVAIOVMYHY-VWLOTQADSA-N 546.676 1.499 0 50 KDAA Cc1cnccc1N1CCCN(C(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N2)CC1 952869150 DLOFUIPPPSMBNG-JYRJIVNRSA-N 661.804 1.185 0 50 KDAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)Cn2cccnc2=O)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704316728 BXSUZDCZYBXSEM-AIJYVZMASA-N 701.825 1.567 0 50 KDAA Cn1c(C(=O)N2C[C@@H]3C[C@H]2C(=O)NCCCCN(Cc2ccc4c(c2)OCCO4)CCCN3C(=O)c2ccccc2)cc(=O)n(C)c1=O 1704338726 YJMKGEFXKYTXGC-SVBPBHIXSA-N 658.756 1.383 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CN2CCOc3ccccc3C2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772702354 VTHHGFWBLRGOJM-IWVFXYMLSA-N 715.856 1.401 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc(Cn3cnnn3)cc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772707428 ZRFNGJVOTXFIIM-MVSFAKPFSA-N 669.791 1.605 0 50 KDAA CC(=O)O[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](CO)O[C@H]2O[C@H]2CC[C@@]3(C)C(=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]43)C2)O[C@@H](C)[C@H](O)[C@H]1O 1772820233 OCAMOXMEKMIFIR-ZSTQRHBZSA-N 897.065 1.424 0 50 KDAA Cc1nc(CC(=O)N2CCCC(=O)NCCNc3ccnc(c3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC2)cs1 1857740308 MXOKRZBRHSIKGQ-VWLOTQADSA-N 577.711 1.697 0 50 KDAA CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C 4102178 YWLXLRUDGLRYDR-ZHPRIASZSA-N 544.597 1.082 0 50 KDAA biogenic,in-vitro O=C(NN1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)N(NC(=O)c3ccncc3)C4=O)cc2C1=O)c1ccncc1 29061329 DMCJSIXXDXXWHD-UHFFFAOYSA-N 560.482 1.590 0 50 KDAA CC1(C)SCN(S(=O)(=O)c2ccccc2)[C@@H]1C(=O)N[C@@H](CNC(=O)NCc1ccccc1)C(=O)O 98052685 XKLHCUGVLCGKKX-RBUKOAKNSA-N 520.633 1.598 0 50 KDAA in-vitro CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)O)CC1 252694044 HMHBYTHXWJFQDH-MUGJNUQGSA-N 518.611 1.490 0 50 KDAA biogenic O=C1COc2cc(C(=O)O)cc(c2)C(=O)N[C@H]2CN(Cc3ccncc3)C[C@@H]2Oc2ccc(cc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r)C12OCCO2)N[C@@]12[C@@H]3[C@@H]4[C@@H]5[C@H]([C@@H]51)[C@](Br)([C@H]32)C41OCCO1 252428146 RCJDUXLRIPBMPW-JTBGGHRHSA-N 566.246 1.047 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccccc2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 252516018 PHDLJLBCUHARPE-YHDCXSKOSA-N 561.407 1.819 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1ccncc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952864203 YTXCLJFIEMJWLT-RNHDNODOSA-N 682.819 1.357 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(Oc3cccnc3)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952864959 TXUDZFNGDGCBKV-OYRYQELPSA-N 648.761 1.208 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)Cc3cccc(F)c3F)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713430 LXFGYUHXIRBJJT-HHUUCLDOSA-N 735.785 1.554 0 50 KDAA C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4C[C@H]31)[C@]2(C)O 1857513875 DHQFYEJMFMYGCV-HXAQOLCMSA-N 591.786 1.711 0 50 KDAA biogenic Cc1ccc2c(c1)C(=O)NCCN(C(=O)CCc1c(C)nc3ncnn3c1C)CCCC(=O)NCCO2 1857673901 NJMHHSFMBOWIJS-UHFFFAOYSA-N 507.595 1.530 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(Cc2ccncc2)CCNC(=O)COc2cccc(c2)C1 1857700861 IZLRCWSHCFPDDZ-MUUNZHRXSA-N 526.634 1.727 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1ccc(Cl)cn1)CCCNC(=O)[C@H]1CN(C(=O)CNC(C)=O)C[C@H]21 1875240968 LXBDVAJVSLWRAV-RTWAWAEBSA-N 558.035 1.463 0 50 KDAA CS(=O)(=O)N1CCC(c2cn(-c3cnccc3C(=O)N3CCc4c(C(=O)O)ccc(F)c4C3)nn2)CC1 1875324707 JOPKNOBCBFLGBK-UHFFFAOYSA-N 528.566 1.837 0 50 KDAA CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)CC1 252693883 GTXVIQBUMWAOIC-QAETUUGQSA-N 516.661 1.390 0 50 KDAA biogenic CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cn3ccccc3n2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704321154 FNTBXMGEPPYAFD-UQJZQYDISA-N 722.847 1.868 0 50 KDAA COCCn1ccnc1CN1C[C@@H]2NC(=O)c3cc(cc(C(=O)O)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772714277 IVJJMGAFABSYKZ-ZEQRLZLVSA-N 549.584 1.298 0 50 KDAA O=C1CN(C(=O)c2n[nH]c3c2CCC3)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740753 YBKSFNVFLFKRHP-SANMLTNESA-N 611.707 1.696 0 50 KDAA 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]6CC[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[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2080911057 YFGQJKBUXPKSAW-FBMNBYLRSA-N 969.128 1.642 0 50 KDAA Cc1nn(C)c(C)c1CCC(=O)N1CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC1 1704340242 QYIXEWXXXHNXCJ-VTTCDHFQSA-N 623.799 1.471 0 50 KDAA COCC(=O)N1CCNC(=O)c2ccc3nc(CC(C)C)n(c3c2)CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)C1 1775981236 BTJDGZFCPGHSMC-KCWPFWIISA-N 647.777 1.192 0 50 KDAA CO[C@H]1C[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@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1848443641 KWBPKUMWVXUSCA-MDTXYMRDSA-N 696.831 1.079 0 50 KDAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(Cc2ncnn2CC)CCCNC(=O)COc2ccc(cc2)C1 1857706549 KSRRREFKPWYFIH-LJAQVGFWSA-N 572.707 1.724 0 50 KDAA COc1nc2c(cc1C(=O)N1CCNC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3coc(n3)[C@@H](Cc3ccccc3)NC(=O)c3cc(on3)C1)CCC2 1857725719 JPIRTNLITATAFQ-UBGJFSDDSA-N 728.763 1.025 0 50 KDAA COc1ccc(OC2CCN(S(=O)(=O)c3cccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)CC2)cc1 2325898934 FPBFJOFPXLPIJA-OAQYLSRUSA-N 513.572 1.688 0 50 KDAA C[C@H]1[C@@H](O)[C@H](C)CCCCCCCCCCCCCC[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)O[C@@H]1C 253487392 JQOLDMSUMCLTRF-XCMQDTOESA-N 942.235 1.706 0 50 KDAA biogenic COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3ccc(-n4ccnc4)cc3)C[C@@H]1NC2=O 952856343 ZDZDMUNBUDOXTL-DHLKQENFSA-N 529.557 1.705 0 50 KDAA Cc1noc(C)c1CCC(=O)N[C@H]1Cc2c([nH]c3ccccc23)SC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC1=O 952857298 RCSGMROBQIUXRW-WUMCCGPASA-N 741.868 1.009 0 50 KDAA CC1=C2N=C(C=C3N=C(C(C)=C4N[C@@](C)([C@H]5N=C1[C@](C)(CCC(=O)NC[C@H](C)O)[C@H]5CC(N)=O)[C@@](C)(CC(N)=O)[C@@H]4CCC(N)=O)[C@@](C)(CC(N)=O)[C@@H]3CCC(N)=O)C(C)(C)[C@@H]2CCC(N)=O 1070008274 KDSOOGFGGWWVLM-OKWNYTBYSA-N 932.181 1.736 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772714089 ACUJJNLDOFHOBF-HSRBSRBISA-N 711.820 1.756 0 50 KDAA CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 2059938635 QSPMNUGLBLYYJO-RCZUJUSPSA-N 718.720 1.082 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1cc(-c3ccccn3)[nH]n1)CCNC2=O 2100533899 KNTQAWLKZAVQLM-QHCPKHFHSA-N 647.781 1.565 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccc3ncsc3c2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704324771 SVKOBYMEFLSCRL-MHLNXUHPSA-N 606.749 1.974 0 50 KDAA Cc1cc(C)n(CC(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)n1 1772714190 FDJRLVRSQXPEDL-VIZCGCQYSA-N 619.771 1.770 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2ncc[nH]c2=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772816762 AFDXMVBNXYCAQC-AVRDEDQJSA-N 618.676 1.627 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)[C@H]2CCCCN2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980883 KGLJLTKFONXEDL-CLLDFNAGSA-N 583.734 1.664 0 50 KDAA O=C1CCCN(C(=O)CCn2cnc3ccccc3c2=O)CCCNC(=O)c2ncccc2OCCN1 1857710609 GXUWKKJEASADHJ-UHFFFAOYSA-N 506.563 1.119 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NS(=O)(=O)N3CCCC3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772817344 CJHMDKQMDLBCTL-NGTAJDMZSA-N 754.951 1.931 0 50 KDAA COCCC[C@@]1(C(=O)N2CCN(C(C)=O)CC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705627 OHJMNSSEBJIFFM-YTTGMZPUSA-N 604.708 1.621 0 50 KDAA 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)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 247647500 KYWSCMDFVARMPN-LCSVLAELSA-N 780.993 1.777 0 50 KDAA biogenic,in-vitro CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cc2cccnc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704319526 WMXJUQYBMYUVGY-CSYFSRKCSA-N 704.854 1.245 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)C3CCN(C(=O)C4CC4)CC3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323048 OIRRKDABJZDNSJ-RVQNBHMFSA-N 696.890 1.878 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704328249 LRZUAKPBHVJWLS-CPJSRVTESA-N 575.670 1.797 0 50 KDAA CNC(=O)c1noc(CN2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)n1 1772707353 YKTISEKMAKIMQX-ZEQRLZLVSA-N 576.610 1.288 0 50 KDAA 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COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc4ncccn4n3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952869937 QMVWXCJYXBOVCP-MAHIMYNDSA-N 738.846 1.580 0 50 KDAA COc1ccccc1OCC(=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 1704321482 QJIFYXODPWMXRL-PJURQFLOSA-N 749.891 1.695 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CCNC(C)=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324447 QVRBPWIOZRNUFP-QHWQCBGESA-N 802.974 1.476 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cc4c(nc3O)CCC4)C[C@@H]1NC2=O 1704333406 ZZXDGIVUXMBFTN-OZXSUGGESA-N 558.591 1.995 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)Cn3nc4ccccc4n3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713260 FHJGEDJGARBZMT-WBXFWKJNSA-N 710.792 1.117 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cn4cccnc4n3)C[C@@H]1NC(=O)CC2 1772714273 ISAACZWZRGUZQK-NVQXNPDNSA-N 570.606 1.768 0 50 KDAA C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(CO)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O 1848443786 KISYRRMFQYIIFQ-OIFWSAPDSA-N 536.662 1.573 0 50 KDAA CC(=O)O[C@H](C(=O)NC1CCCCC1)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)NC1CCCCC1 226945464 NBTJDPSAJZDMSX-YCAMKHIRSA-N 540.610 1.611 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)CCn1cc(C)cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704316477 RDFBKUCYEZWOKP-FHFPRHJOSA-N 717.868 1.981 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)COc2ccc(F)cc2F)CCN(C)C(=O)[C@@H](C)NC1=O 1704322785 OJSZGLKKDDQNCG-QQZXAZDFSA-N 755.845 1.965 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CCN3CCCC3=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322961 STWUHPXEUPHSIP-NSCCKQAPSA-N 829.012 1.962 0 50 KDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)CCN1C(=O)c3ccccc3S1(=O)=O)CCCC(=O)NCCO2 1857670652 DHJWBMFHWUAWSS-UHFFFAOYSA-N 542.614 1.077 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)CN(C(=O)c2cscn2)CCCOc2cccc(c2)-c2nccn2CCCNC1=O 2100532938 NDKIJRVADGCWDH-VGSWGCGISA-N 526.619 1.303 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)CN(C(=O)c2cccnc2)CCCOc2cccc(c2)-c2nccn2CCCNC1=O 2100533578 VOURXDIIUXHDNR-DVECYGJZSA-N 520.590 1.242 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cn3cccn3)C[C@@H]1OCc1cccc(c1)O2 952856076 HREUSJSKULREJW-SVBPBHIXSA-N 592.653 1.930 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cnc(C)[nH]1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952858714 GRXYFHIHBGEKCI-HWOONTJSSA-N 681.795 1.350 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCc3c(C)nc(O)nc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324813 VDRMTFACPCKECX-FQYQUSJJSA-N 681.835 1.486 0 50 KDAA Cc1cccnc1C(=O)N1CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1 1772818130 MSDIKZTVSIDHEL-JBRSBNLGSA-N 645.765 1.524 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2nn(C)c(=O)c3ccccc23)CCNC(=O)COc2cccc(c2)C1 1775976633 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C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 253389338 IBZLICPLPYSFNZ-IVWMTKFPSA-N 913.108 1.344 0 50 KDAA biogenic,in-vitro Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)ccc12 257354922 FMVUZZZUYBXQGR-PJTSNVSCSA-N 661.712 1.633 0 50 KDAA CO[C@@H]1C=C2[C@@H]3CC(C)(C)CC[C@]3(CO)[C@@H](O)C[C@@]2(C)[C@]2(C)CC[C@@H]3[C@](C)(CC[C@H](O[C@@H]4O[C@H](C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@@]3(C)CO)[C@H]12 299811562 GLQYFMRUYWFXGT-QFCWQPEPSA-N 813.035 1.385 0 50 KDAA biogenic CC(C)(C)OC(=O)NCCOCCOCCOCCNCCOCCOCCOCCNC(=O)OC(C)(C)C 575432233 SWJLEMRUSPERBV-UHFFFAOYSA-N 567.721 1.725 0 50 KDAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)c3cnn[nH]3)CC[C@H]1OCc1cccc(c1)O2 952867461 NKTBPOCXZULQKG-BJKOFHAPSA-N 534.573 1.997 0 50 KDAA 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C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC[C@H]5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@@H]7O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1[C@H]2C 257462828 KFYOFJUUTSALEH-VVFRVLEYSA-N 871.071 1.322 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952865652 UPEJBRLMVWXHBA-BKMJKUGQSA-N 571.682 1.982 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)CCc2ccnn2C)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772702139 QTRNULVSTBLHHJ-RTAXSKKWSA-N 699.853 1.885 0 50 KDAA Cc1cncc(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)c1 1772713571 PGIMNOPMUOXJFM-PPJWLVRDSA-N 645.765 1.524 0 50 KDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C(=O)CN1CCOc2ccccc2C1 1857708726 KPFSORGZLRGHEA-LEWJYISDSA-N 510.566 1.708 0 50 KDAA Cc1c(C(=O)N2CCCNC(=O)CN(C)C(=O)c3nn(C)c4c3C[C@@H](CC4)N(CCC(C)C)C(=O)C2)sc2[nH]cnc(=O)c12 1875240387 BYRUCGXNGDZQRK-LJQANCHMSA-N 624.768 1.493 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3ccccn3)C[C@@H]1NC2=O 2356161320 PMIAMQBGALQOHO-CPJSRVTESA-N 532.553 1.809 0 50 KDAA CSCC[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](CCSC)C(=O)O)ccc1-2)C(=O)O 100654489 KRCGEPCCYIGZNQ-PMACEKPBSA-N 602.734 1.867 0 50 KDAA CCn1nc(CC(C)C)cc1C(=O)N1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCCn3cc(nn3)CO[C@H]2C1 952857257 OAPZDZWZFCJLPG-OFVILXPXSA-N 537.621 1.934 0 50 KDAA COc1ccc(C(=O)N2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)c3ccc(OC)c(c3)OCc3cn(nn3)CCC2)o1 952863983 UUDVXLQYFCYXHU-QPFIFXANSA-N 697.790 1.920 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)C(C)(C)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952868255 HNDCXILABHOBOU-MQVPCNEGSA-N 626.114 1.132 0 50 KDAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)Cn3cnnn3)CC[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 1616093512 FUXNEQNNLBBUHZ-RPBOFIJWSA-N 579.658 1.629 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)CCc3ccc(O)nn3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322868 QWKNTKWEMDZRKJ-LBNPDIFZSA-N 667.808 1.357 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)C1CC1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713313 JEBDHMGNHVIDFA-BVAGGSTKSA-N 551.692 1.666 0 50 KDAA 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]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O 1775966554 KXHCYYSIAXMSPA-UFRAVKNKSA-N 869.055 1.866 0 50 KDAA CCn1ccc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](C(C)C)NC2=O)cc1=O 1857688876 TUHJFNHSTWMUIJ-LAJKQIPCSA-N 682.782 1.995 0 50 KDAA CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)ccc1-2)C(=O)O 6190677 QZQJOYWSRYBHSW-BGYRXZFFSA-N 538.600 1.673 0 50 KDAA CCCCC[C@H](O)[C@@H]1C(=O)O[C@H](C)[C@H](O)C=CC=CC=CC=CC=C(C)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O 253637619 IMQSIXYSKPIGPD-CFTXFMGESA-N 654.838 1.888 0 50 KDAA biogenic CCOC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)C[C@H](O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@@]12C 257349978 TVKZNMSOZWTGQU-NBZJZRAVSA-N 554.633 1.426 0 50 KDAA Cc1nc(C)c(CC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)c(O)n1 952856679 KYUNFXBGTHTBLZ-UHFFFAOYSA-N 533.633 1.926 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2csc(-c3ccccc3)n2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704316348 MYCILDUAIRIBEN-IGGQDWDISA-N 745.903 1.688 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3ccccn3)C[C@@H]1CC(=O)NCCN(C)C2=O 1704321121 CYJCXKBRHMVFOY-LAUBAEHRSA-N 519.562 1.166 0 50 KDAA CCc1c(C)nn(CC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)c1C 1772713976 VVZJBEUJHXELIW-ZDQHWEPJSA-N 715.852 1.748 0 50 KDAA O=C(Cn1cc(F)c(=O)n(CC(=O)Nc2ccc(Br)cn2)c1=O)Nc1ccc(Br)cn1 651909 SBIGUUMCOCSVTP-UHFFFAOYSA-N 556.146 1.742 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@H](C)N(C)C(=O)[C@H](C(C)C)N(C)C1=O 44280384 GNBHVMBELHWUIF-VTSYCQLTSA-N 593.766 1.316 0 50 KDAA biogenic,in-vitro Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc12 71788409 WVJTXYIHBUISHX-FIKGOQFSSA-N 565.583 1.220 0 50 KDAA in-vitro CC(C)(C)OC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 245257272 YJJMWIGHLXQIJG-SGNDLWITSA-N 598.701 1.657 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](OC(C)=O)[C@H](NC(=O)Cc2cccc3ccccc23)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 245285611 XYWZWQBEWGQXQR-RHGZZMJMSA-N 515.515 1.582 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 254468463 ZBYDOGVAOZEPSJ-TYUWDEHNSA-N 532.498 1.744 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(Cc3ccccn3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704329402 UINIPCGCGGDYQF-CSZVXOJQSA-N 594.757 1.810 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CN2CCCN(C)CC2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775981307 CVTGGTZSFQZKAZ-FIPFOOKPSA-N 650.806 1.868 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)CCc1nc3ccccc3s1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1875240243 NPVHLLUOLUVCKM-DWXRJYCRSA-N 567.668 1.170 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)Cc1c[nH]c3ccccc13)CC(=O)N[C@H]1CN(C(=O)CN3CCOC3=O)C[C@H]21 2100533166 CSYXXRXIALBISP-NOZRDPDXSA-N 589.649 1.893 0 50 KDAA CC(C)(C)OC(=O)[C@]1(C(=O)N2CCC(O)(c3cn(Cc4nc(O)c5c(n4)CCOC5)nn3)CC2)CC=CCC1 2325852226 WUMLVPFYHBCOMF-AREMUKBSSA-N 540.621 1.773 0 50 KDAA Cc1ccc(C(=O)N[C@H]2CCS(=O)(=O)c3ccccc32)c(-n2cc(CN3CC(=O)CCC3=O)nn2)c1 2325871440 LQYBWLPUZJIKIQ-NRFANRHFSA-N 507.572 1.916 0 50 KDAA CC(C)(N)C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)CN(S(C)(=O)=O)c1ccccc12 1543181 UMUPQWIGCOZEOY-JOCHJYFZSA-N 528.675 1.765 0 50 KDAA world NC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 409414153 PIFPRYWSQQGXMW-HHXXYDBFSA-N 505.527 1.862 0 50 KDAA biogenic COc1ccc(-n2cccn2)cc1S(=O)(=O)N1[C@H]2CC[C@@H]1CNC(=O)c1cc(F)ccc1OCCNC(=O)C2 1857711280 RDTVWCZRWSSACY-VQTJNVASSA-N 557.604 1.870 0 50 KDAA CCc1ccc([C@@H]2CN(C(=O)C[C@H]3CCC(=O)NC3=O)CCN2C(=O)C[C@@H]2CCCS2(=O)=O)cc1 2325871611 RVKYQYDENHYGOC-HKBOAZHASA-N 503.621 1.371 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CCN(CC=C(C)C)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952863720 SAULTBJHDBZSOJ-HAFIXEQPSA-N 647.777 1.513 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)[C@@H]1CCCN1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952868389 MQJWINQFWVQVDU-UIOOFZCWSA-N 589.697 1.350 0 50 KDAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@]23CCCCC=CCCCC[C@@]12[C@@H](C(=O)OC)C(=O)[C@H]3C(=O)OC 1501069145 BYXGTOLZSAQYLZ-VVBOIXQKSA-N 506.548 1.972 0 50 KDAA CNC(=O)c1cc(S(=O)(=O)N2C[C@@H]3NC(=O)CCc4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cs1 1772713312 HBEXUBNBMNGIAJ-DHLKQENFSA-N 628.729 1.694 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc3nc[nH]c3c2)CCNC(=O)COc2cccc(c2)C1 1857704897 JWEPMTGSHDDVCP-SSEXGKCCSA-N 579.654 1.849 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1cscn1)CCNC2=O 2100533046 WZRMCWSGVYLULX-FQEVSTJZSA-N 587.747 1.236 0 50 KDAA O=C(O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@H]1OC(=O)c1cccnc1)c1cccnc1 105303329 JTHMZZBJEBXXJU-XUHLDYCGSA-N 600.540 1.204 0 50 KDAA C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]45C[C@@]35CC[C@]12C 253504436 CQGUDVRRZKLXFR-JILMCLTDSA-N 756.971 1.203 0 50 KDAA CCN1CC(=O)N[C@H]2CN(C(=O)CN3C(=O)NC(=O)C3(C)C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952865953 ZSCOOWMOCPZEDV-DQEYMECFSA-N 591.665 1.816 0 50 KDAA CO[C@H]1C[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@H]4CC[C@@]3(O)C2)O[C@H](C)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253501753 KWBPKUMWVXUSCA-UZFJQLOMSA-N 696.831 1.079 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccccn2)CCNC1=O 952857155 LSCFABORUOAOKW-HSZRJFAPSA-N 537.596 1.850 0 50 KDAA CCCC[C@@H]1NC(=O)c2cccc(c2)OCCn2cc(nn2)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC1=O 952864666 LBBHDOITQSXDEW-YFXJRYMSSA-N 541.653 1.311 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)[C@H](N)Cc1ccccc1)CCCNC(=O)[C@@H](C)NC2=O 1704322403 GZRCMPKIPYRYOI-PXDATVDWSA-N 547.660 1.592 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2cscn2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322984 RIFITYDZCYGROJ-UQWVPHONSA-N 602.783 1.210 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC1CCN(C(=O)c3cnccn3)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704323665 SRXCTGDYPWCMMV-OGLWZABDSA-N 770.932 1.954 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3nc(N)nc4c3CCCC4)C[C@@H]1NC2=O 1704327755 IVGLLFWPGXQSRI-DHLKQENFSA-N 572.622 1.657 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)COCc2ccccc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772703648 PEBBHCJHQIVGKU-QZFRTWIZSA-N 655.752 1.320 0 50 KDAA Cn1cc(S(=O)(=O)N2CCCC(=O)N3CCCC[C@H]3CCc3cccc(c3)OCC2)c(=O)n(C)c1=O 1857699428 PLWVVHDJCOMYGY-FQEVSTJZSA-N 518.636 1.261 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NS(=O)(=O)N(C)C)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1857699601 VPGKECIELWRNOP-RNNJVSDQSA-N 728.913 1.396 0 50 KDAA COCCC[C@]1(C(=O)N2Cc3nc(C)n(C)c(=O)c3C2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857705420 GSUXHTMELDDDOI-UUWRZZSWSA-N 641.729 1.875 0 50 KDAA COC(=O)[C@]1(Sc2ccccc2)C[C@@H]2OC(=O)N(C(C)=O)[C@H]2[C@H]([C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O)O1 60151076 CVMYPHWPKCZUMN-TUTCKEIYSA-N 567.569 1.599 0 50 KDAA CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccc(F)cc1OCCOc1cc(F)ccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O 150349523 ZXXWTKAFGAXGHZ-UHFFFAOYSA-N 800.670 1.291 0 50 KDAA COc1ccc(C(=O)N[C@H]2C[C@H]3C(=O)N[C@@H](C)C(=O)N[C@H](c4ccccc4)CC(=O)N[C@@H](CCSC)C(=O)N[C@@H](C(C)C)C(=O)N3C2)cc1 952856509 IEVNSBZPVNSULK-LAWSTRCHSA-N 694.855 1.539 0 50 KDAA CN1CCNC(=O)c2cccn(c2=O)Cc2cn(nn2)[C@@H]2CN(C(=O)CCc3nc4ccccc4s3)C[C@@H]2CC1=O 952861983 HNMBSTQUJOASRI-PGRDOPGGSA-N 574.667 1.322 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(C(=O)CCc3cccc(Cl)c3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1615708949 LDHZSWJWYLMVAI-XXBNENTESA-N 552.035 1.366 0 50 KDAA Cc1cc(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)on1 1704340194 PUBLODNILXNLIT-WTWMYVDVSA-N 761.906 1.972 0 50 KDAA CCN(CC)C(=O)CN1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772714010 YGVNBTKRMPWDGT-LBNPDIFZSA-N 645.761 1.048 0 50 KDAA COc1ccc2cc1OCCCN(S(=O)(=O)N1CCCC1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775978254 PQEWUWKMBQGNEX-DEOSSOPVSA-N 563.677 1.841 0 50 KDAA COc1ccc2cc([C@H](C)C(=O)N[C@H]3CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]4C[C@@H](NC(=O)c5cc(C)on5)CN4C3=O)ccc2c1 1857703011 DXOPNQGCOCZIIS-HFQOMHSPSA-N 690.754 1.782 0 50 KDAA Cc1cnc2c(C(=O)N3C[C@@H]4c5cccc(c5)OCCN(C(=O)CN5CCOC5=O)CCCNC(=O)[C@H]4C3)cnn2c1 1875242300 RGVKBKMPYGRWJY-RPWUZVMVSA-N 575.626 1.073 0 50 KDAA C[C@@H](C(=O)N1CCC[C@@H](N2CCN(C(=O)C3=C4CCCN=C4NN3)CC2=O)C1)c1ccc(Cl)s1 2325842574 AWRZHMQILPPJIN-HUUCEWRRSA-N 505.044 1.721 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cnc3cccnn13)CCCNC2=O 2356134285 HYTJZYHDBAPSOX-SANMLTNESA-N 589.657 1.806 0 50 KDAA CC(=O)O[C@H]1C2=C(C)[C@H](OC(C)=O)C[C@@](O)([C@H](OC(C)=O)[C@@H]3[C@]4(CO4)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]3(C)[C@@H]1OC(C)=O)C2(C)C 256764276 LUTPIRPNUNHFEV-HMSUQCCTSA-N 652.690 1.863 0 50 KDAA biogenic CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccccn2)CCN(C)C(=O)[C@@H](C)NC1=O 1704337165 NYKIOPZYDVNTPM-SVAWTBLWSA-N 690.827 1.316 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)CN3CCOC3=O)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857708612 CLTPIEFVYAKMOO-ZIUBFTGCSA-N 704.741 1.250 0 50 KDAA 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Cc1cc(C(=O)N2CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)c3nc(C)nn3CC(=O)NCC2)c2c(C)noc2n1 1772713852 UKIZLMYQTKAULA-HJASLDBZSA-N 714.828 1.837 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccn(C(F)F)n2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772817003 FOIPDTPTLKHSGF-PNTFMKQHSA-N 651.671 1.009 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)[C@H]1CCCO1)CCCCNC2=O 1857698844 KPKGZNIRPPLVES-VUMDDRRNSA-N 711.813 1.650 0 50 KDAA O=C1CC[C@H](N2Cc3c(cccc3S(=O)(=O)N3CCCN(c4ccc(C(F)(F)F)cn4)CC3)C2=O)C(=O)N1 2325899028 JZPBBFWGZITNQY-SFHVURJKSA-N 551.547 1.762 0 50 KDAA 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@@H](O)[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccccc1 253492312 PHASMOUKYDUAOZ-NJDCAWJWSA-N 629.747 1.677 0 50 KDAA biogenic CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(Cl)cc3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253495087 ZUHNIJKKUNIBLE-FHGIMWBPSA-N 585.035 1.796 0 50 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COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952858170 WALVKKLHBGCPKF-OCFVUHCMSA-N 698.821 1.932 0 50 KDAA CSCC[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952863908 JMQMBBAYQYEVBK-WALYIZILSA-N 658.181 1.085 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3csc(-c4ncccn4)n3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321890 CXCXYAJOCUYDES-CBRSEMLDSA-N 692.843 1.968 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(S(=O)(=O)c3ccc4c(c3)n(C)c(=O)n4C)C[C@@H]1NC2=O 1704322069 GDFSKLJCDDQXDZ-CUNXSJBXSA-N 621.672 1.145 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)CCCN2CCCCC2=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713754 RTACJDVQHZDEPA-LQJQRVQGSA-N 699.809 1.499 0 50 KDAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)CN4CCN(c5ncccn5)CC4)C3)CN2C1=O 2100533999 OVSDIOHPBHGEHI-GLOKNNJPSA-N 630.794 1.080 0 50 KDAA CC(C)C[C@@H]1N[C@@H](C)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(N)=O)NC1=O 98052510 HTXNHRVBQSWFDI-MJWOEUGTSA-N 744.938 1.727 0 50 KDAA in-vitro O=C1c2c(O)cc(O)cc2O[C@H](c2cc(O)c(O)c(O)c2-c2c([C@H]3Oc4cc(O)cc(O)c4C(=O)[C@@H]3O)cc(O)c(O)c2O)[C@H]1O 162674037 AULZIDZAMMOASF-VZNYXHRGSA-N 638.490 1.764 0 50 KDAA biogenic COC(=O)[C@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@@H](C(=O)OC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)CC[C@@]5(C)[C@H]4[C@@H](O)C[C@@]23C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257350133 UYXUPMIOZXMSKD-XCZQQVIYSA-N 983.023 1.973 0 50 KDAA COc1cc(OC)c2c(C)c(CC(=O)N3CCC(C(=O)NCCCCCC(=O)N[C@@H](Cc4ccccc4)C(=O)NCC(=O)NCC(=O)O)CC3)c(=O)oc2c1 951726906 PQHPLWSSZTTYAX-LJAQVGFWSA-N 763.845 1.621 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1ccncc1)CCNC2=O 2100533355 LNMYAVKACRPQOL-QHCPKHFHSA-N 581.718 1.175 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)[C@@H]2CCCO2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533931 LYRKICMZYYAIOD-PKTZIBPZSA-N 511.623 1.987 0 50 KDAA CC1(C)CC[C@@]2(C(=O)O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O 169731134 ZKMRZIYTCZLEAV-VVJIWJAZSA-N 796.992 1.287 0 50 KDAA biogenic,in-vitro CC(C)C[C@H]1NC(=O)CN(C(=O)c2cc3ccccc3[nH]2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704326602 IYNSMIIPUCMSAN-OBKRTVJUSA-N 674.799 1.364 0 50 KDAA CC(C)[C@@H]1NC(=O)c2cc(-c3nn(C)c4ccc(F)cc34)ccc2OCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](C)NC1=O 2100532916 LDROWLAMUFMSDR-VSSAKSQRSA-N 594.644 1.109 0 50 KDAA CC(C)(C)OC(=O)N1CCC[C@H]1CNS(=O)(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325899034 KEYCQWKSXUOZMR-YOEHRIQHSA-N 506.581 1.125 0 50 KDAA Cn1c(=O)c2c(nc(SCc3nc(N)nc(N4CCOCC4)n3)n2Cc2ccc(C(C)(C)C)cc2)n(C)c1=O 29749378 GUZAPFQMHYGNPB-UHFFFAOYSA-N 551.677 1.676 0 50 KDAA CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@]2(O)[C@@H](C[C@]34O[C@]5(O)[C@@H](OC(C)=O)CC[C@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@@H]24)[C@@H]2CN3C[C@H](C)CC[C@H]3[C@@](C)(O)[C@H]21 253487428 KDOHXSPHEMVVCM-BWPZGADASA-N 677.788 1.469 0 50 KDAA Cc1ccc2c(c1)C(=O)NCc1cccc(c1)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)NCc1cn(nn1)CCO2 952859043 NSVSUSBMZXBMHH-CJFMBICVSA-N 575.670 1.875 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)C1CCNCC1)CCCNC(=O)[C@@H](C)NC2=O 1704318058 NMOZLTQYJVTWDX-LJQANCHMSA-N 511.627 1.022 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CCSc2ccc3c(c2)OCCO3)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704324263 MFAFOCISDUYGRU-NIJAFAIASA-N 724.881 1.166 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cn3cnc4ccccc4c3=O)C[C@@H]1NC(=O)CC2 1772705478 MXXBBZHSEMIDCY-WNJJXGMVSA-N 611.655 1.821 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CC(c3ccccn3)C2)NC1=O 952856034 DFMDEJTYCVZION-XRPWQCROSA-N 666.779 1.741 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(Cl)ccc2OC)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704317260 HZLCBJZVRAFCFH-MWCGXFCRSA-N 727.259 1.226 0 50 KDAA COc1nc2c(cc1C(=O)N1CC(=O)N[C@@H](Cc3ccccc3)c3nc(C)nn3CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C1)CCC2 1704321173 FUFJKIWHVFBCCZ-JAMKYWPSSA-N 630.750 1.680 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704343288 BBAJOENJTNFAHQ-POYPKGBQSA-N 759.861 1.020 0 50 KDAA CC(=O)c1c(C)nn(CCC(=O)N2CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)c3nc(C)nn3CC(=O)NCC2)c1C 1772713755 RZBPKWKXOUFPLQ-SRYFTIFFSA-N 732.887 1.477 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2cncc(=O)[nH]2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817759 QZNFKKVENXGGEN-UUOWRZLLSA-N 618.676 1.627 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccc(Br)cn2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1848442269 QACCEXUDTIMBQQ-HZZCBIDNSA-N 562.395 1.214 0 50 KDAA CC(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc(n2)[C@@H](CC(C)C)NC(=O)c2cc(on2)C1 1857741527 XABFITCGIZBGLN-RBBKRZOGSA-N 536.589 1.999 0 50 KDAA COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@]4(C)C(=CC(=O)O[C@H]4c4ccoc4)[C@@]34OC(=O)[C@]3(O)[C@H]4[C@@]2(O)C[C@]13C 261492338 HHKXOKUGOZKYPR-JTNCFZDESA-N 514.527 1.188 0 50 KDAA biogenic COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OP(=O)(O)O 306146643 LIQODXNTTZAGID-RBDBFHPUSA-N 668.541 1.105 0 50 KDAA Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC1=O 1704319428 VLNGVMOSWWZVLH-HRDSQJOASA-N 691.805 1.384 0 50 KDAA O=C1NCCc2ccc(cc2)OCCCn2cc(nn2)CC12CCN(c1nccc(N3CC[C@H](O)C3)n1)CC2 952862260 NPEJQVVIFCCSCJ-QHCPKHFHSA-N 532.649 1.610 0 50 KDAA Cc1cccc(C(=O)N2CC(=O)N[C@@H](Cc3ccccc3)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](c3ccccc3)C2)n1 1704327240 QDWHNUFWZDVPPE-ZDNMLKDASA-N 697.837 1.923 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772701033 ISLJVQCNMQULSV-ZTWZBPPDSA-N 768.868 1.474 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3cc(C(F)F)nn3C)CC2)Oc2ccc(cc2)OCCNC1=O 1772706987 VUROTQFTOQBXSA-BERHBOFZSA-N 709.751 1.657 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)CCN2CCCCCC2=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713333 DCDUAQICFGPBGB-LQJQRVQGSA-N 699.809 1.499 0 50 KDAA O=C1CN(C(=O)CN2CCOC2=O)CCNC(=O)Cn2cnc3c2CCN(C(=O)/C=C/c2ccccc2)[C@H]3c2cccc(c2)OCCCN1 1800410619 XPLYJPQLMVPBIE-KTADDUMUSA-N 669.739 1.366 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCOc2ccccc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857699525 RKWKORRXBZPXEF-OIFPXGRLSA-N 669.739 1.305 0 50 KDAA Cc1ccc(C(=O)NCc2nn(C)c(C)c2S(=O)(=O)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2)nn1 1875342499 USMTZMOHQWOTMO-UHFFFAOYSA-N 528.982 1.715 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ccccc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713947 WTQVPKGDLQXYRU-QRQMUESOSA-N 655.752 1.986 0 50 KDAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1775979795 MUDGZGAKUXTTDZ-MGBGTMOVSA-N 737.898 1.902 0 50 KDAA COc1ccc2cc1OCCCNC(=O)[C@@H]1CCCN1C(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1800430554 QSXUCSMQLGMPIG-VXKWHMMOSA-N 522.602 1.432 0 50 KDAA CO[C@H]1C[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@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 79216650 KWBPKUMWVXUSCA-LGEKFDLWSA-N 696.831 1.079 0 50 KDAA biogenic,in-vitro CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@]2(O)[C@@H](C[C@]34O[C@]5(O)[C@@H](OC(C)=O)CC[C@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@@H]24)[C@@H]2CN3C[C@@H](C)CC[C@H]3[C@@](C)(O)[C@H]21 253487430 KDOHXSPHEMVVCM-MZCHZSKASA-N 677.788 1.469 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@H]2OC(C)=O)[C@@]4(C)O 253591194 PBFGAFDJVQAMRS-VTOSQVHPSA-N 805.783 1.034 0 50 KDAA biogenic COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)C2(C)CCN(C)CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1800430339 LWDUUBADMARUJD-BVPJJHLOSA-N 745.922 1.779 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc(OC)nc2OC)CCNC(=O)COc2cccc(c2)C1 1857702824 PXUBVGWXXXKHTF-SSEXGKCCSA-N 600.669 1.385 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cn1cnnn1)CCCNC(=O)[C@H]1CN(C(=O)/C=C/c3ccccc3)C[C@H]21 1875240626 FOHLQFHDCLUGBF-AYWQOUOJSA-N 559.627 1.365 0 50 KDAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(C)on1)CCCNC(=O)CC2 952864361 FUYOEZSSAPWPIP-FQEVSTJZSA-N 557.648 1.709 0 50 KDAA COc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C[C@@H]1NC(=O)CC2 952865156 UYRSFYLQFDERQP-JTHBVZDNSA-N 548.596 1.747 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(C(=O)c3c(Cl)cccc3Cl)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952865610 SUNODCIAEAKEDU-MGPUTAFESA-N 558.426 1.700 0 50 KDAA COc1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)cc2ccccc12 4545933 PBDYNZJYYRZOFV-VXKWHMMOSA-N 506.559 1.823 0 50 KDAA in-vitro CCO[C@@H]1O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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@]3(C)[C@@H]2C[C@@H]1C 253499141 RDRPORVAKXEYRR-WWXQYAOXSA-N 740.928 1.442 0 50 KDAA biogenic 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]6CC[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[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 254514821 YFGQJKBUXPKSAW-IQWQKRESSA-N 969.128 1.642 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2-n2cncn2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704316894 BBWQRWNXPVSPSK-SUQRLAKBSA-N 738.846 1.239 0 50 KDAA C[C@@H](C(=O)N1CCCNC(=O)c2ncccc2OCCNC(=O)CCC1)N(c1ccccc1)S(C)(=O)=O 1857705260 ZWSKMAMOCVZEQA-IBGZPJMESA-N 531.635 1.174 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(C(=O)CN1CCOC1=O)CCCNC2=O 2100534104 UCRMOWCBVWTGKL-SFHVURJKSA-N 502.616 1.097 0 50 KDAA C[C@@H]1C(=O)O[C@H](C)[C@H]1C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C 8214375 NEFYSBQJYCICOG-YSEUJXISSA-N 520.663 1.891 0 50 KDAA biogenic,in-vitro CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)CCNS(C)(=O)=O)CC[C@]23C(=O)N(CC1=O)c1ccccc13 952858011 ZEGNNVDKTFSVOR-AHKZPQOWSA-N 540.642 1.425 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)[C@H]2CCCN2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704321267 GIVTXQYHIFEIAR-VLQWODCGSA-N 735.912 1.185 0 50 KDAA CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[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]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C 255285372 YURJSTAIMNSZAE-YVAWHIOVSA-N 801.024 1.120 0 50 KDAA biogenic COC(=O)CCOCCOCCOCCOCCOCCC(=O)Nc1ccc(CCC(=O)N2CCC2=O)cc1 258839909 XUYJQEFWQWNLCF-UHFFFAOYSA-N 552.621 1.353 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3[nH]nnc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316606 XICDBLWILJRWGZ-LVLVAWRASA-N 798.946 1.690 0 50 KDAA Cc1ccccc1OCC(=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 1704323244 DSZJVFGPSISFQZ-MFPKBZFRSA-N 733.892 1.995 0 50 KDAA COc1ccccc1-c1cccc(C(=O)N2CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3cc(on3)C2)c1 1772704941 VHNVFSWRUMLETI-LZBZAAENSA-N 648.717 1.247 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(S(=O)(=O)c2ccc3nc(O)n(C)c(=O)c3c2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713773 ROYOEANPYWRDAS-KVSUUNMHSA-N 795.920 1.538 0 50 KDAA O=C1CN(C(=O)c2ccc[nH]2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857724589 JBMNTQUGSDXLPM-VWLOTQADSA-N 570.654 1.813 0 50 KDAA CCS(=O)(=O)N[C@@H](C)C(=O)N1CC=C[C@H](NC(=O)c2ccc(OC)cc2I)C1 2325877351 PENZUEUCJIXQCG-STQMWFEESA-N 521.377 1.124 0 50 KDAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O 96307098 XYVCCDSFTREKQJ-UHFFFAOYSA-N 541.635 1.119 0 50 KDAA in-vitro CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4C(=O)[C@@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@]45O[C@@H]5C[C@H]3C2)O[C@@H](C)[C@H]1O 257347173 WZCKFKUUQUMLRX-SEBOWTHVSA-N 562.656 1.421 0 50 KDAA COc1ccc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)cc1 1772702522 KMNMJRVEZYUTRB-MWVDVNALSA-N 646.745 1.761 0 50 KDAA CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cc(S(=O)(=O)N3CCOCC3)ccc1O)n2C 1875256339 BRRZDXDRBXBSHY-UHFFFAOYSA-N 579.701 1.902 0 50 KDAA CCOC(=O)c1c(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)sc(C(N)=O)c1C 20168043 KDQWVYKVCURLHV-UHFFFAOYSA-N 512.585 1.416 0 50 KDAA CCO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1 161431719 ZCCUWMICIWSJIX-FLIHLVPLSA-O 685.708 1.220 0 50 KDAA CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O 253387830 XPPVPEBAMOGLNL-HKBOAZHASA-N 636.699 1.455 0 50 KDAA biogenic Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1ccccn1)CC(=O)N[C@H]2Cc1ccccc1 1704328335 YURRRCGGBOPGTN-VEXUSMLFSA-N 560.659 1.183 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1848442277 BPDBXEVYPPWFPU-MIYXWFHDSA-N 551.618 1.566 0 50 KDAA COc1ccc(-c2cc(CO[C@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)on2)cc1 1857524911 RSFOBATZWJSMJB-KJWQXZETSA-N 535.502 1.950 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cn(C)cn2)CCNC(=O)COc2cc(ccc2OC)C1 1857707385 QKGYQLGSLIYXHI-PMERELPUSA-N 583.686 1.868 0 50 KDAA COC(=O)c1ccc(OC[C@@H](O)CN2CCN(C[C@@H](O)COc3ccc(C(=O)OC)cc3)CC2)cc1 22802769 AFZYPTAGRSUKTR-SZPZYZBQSA-N 502.564 1.057 0 50 KDAA O=c1n(-c2ccccc2)c(=O)n2n1[C@H]1C=C[C@H]2C23C=CC12[C@H]1C=C[C@H]3n2c(=O)n(-c3ccccc3)c(=O)n21 101044408 JSCBSEHJZKRCBV-GHWFINJFSA-N 504.506 1.489 0 50 KDAA Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1C[C@@H]2NC(=O)c3ncccc3OCCn3cc(nn3)CO[C@H]2C1 952863961 JWPQFPGYSQBTSO-JSGCOSHPSA-N 540.890 1.311 0 50 KDAA COCCNc1nc2cc(C(=O)N3CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4ccc(OC)cc4)C(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C3)ccc2n1C 1704321546 TVHJYCFWXLHRFH-CTZUUEIXSA-N 734.899 2.000 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cc3ccccc3o2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704323834 ZWSVDCCXQIPAQL-RHYCGCKNSA-N 675.783 1.629 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cc(C(C)C)nc(N)n2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772705408 SKLJBZHYTVMPLY-SGIRGMQISA-N 689.822 1.316 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ncc(F)cc2F)CCNC(=O)COc2cccc(c2)C1 1857702912 IDUUJAFVGLDJSP-NDEPHWFRSA-N 576.597 1.646 0 50 KDAA Cn1ncc2c(N3CCN(C(=O)Cn4cc(CNC(=O)Nc5ccc(Cl)cc5)nn4)CC3)ncnc21 1875351091 KPGFVXJATICKJR-UHFFFAOYSA-N 509.962 1.279 0 50 KDAA COc1ccc([C@@H](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c2c(O)nc3ccccn3c2=O)cc1 2049513512 SGUCJSVTTJEJIC-HXUWFJFHSA-N 508.556 1.895 0 50 KDAA COc1ccc2cc1OCCCN(S(C)(=O)=O)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533001 UDKKWAOQUBIODZ-JOCHJYFZSA-N 521.640 1.250 0 50 KDAA CCOC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc(-c4cc5c(nc4O)CCNC5)no3)CC2)o1 2325850425 YGWLEYRFHVLKLM-UHFFFAOYSA-N 503.537 1.821 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cc(-c3ccccc3)no2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704323281 FPKUHVFVGYAUIU-KNUNVPMTSA-N 702.809 1.537 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)COC)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772703424 LIFOSCWVJYCSOO-FONBTEPMSA-N 629.759 1.369 0 50 KDAA Cc1ccc(S(=O)(=O)NCCOCCOCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1 4256046 QFKGJEJMAFTWIU-UHFFFAOYSA-N 500.639 1.610 0 50 KDAA COc1cc(C(=O)NCCN2CCCCC2)ccc1O[C@@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253497460 FPLGXEKADHTSNC-DYXRGMLLSA-N 608.641 1.373 0 50 KDAA biogenic CN(C)CC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 952864339 UWZOGBJVHDEZNS-SVBPBHIXSA-N 552.672 1.800 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)Cn3cc(C)c(O)nc3=O)C[C@@H]1NC(=O)CN(C)C2=O 952865220 VKJFBVJQGDMVQV-BJKOFHAPSA-N 575.622 1.746 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)[C@H](N)C(C)C)CCNC1=O 952869822 PXWHOEJYQPQNOF-FYYLOGMGSA-N 531.633 1.125 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)Cc2cn3ccsc3n2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713723 PXTUUJAZHFWSPN-SGIRGMQISA-N 690.831 1.458 0 50 KDAA CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)O)CC1 252694452 KUJSSIGKZQTEHC-TUFLPTIASA-N 532.638 1.880 0 50 KDAA biogenic CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713635 NUNMRSOKSJBRAG-YBBGPBPVSA-N 740.884 1.684 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)C1CCC1)CCNC2=O 2100533531 UBBPKWFAGSWROW-QFIPXVFZSA-N 558.724 1.266 0 50 KDAA COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](N)CCC(=O)O)cc2ccccc12 4545930 PBDYNZJYYRZOFV-FGZHOGPDSA-N 506.559 1.823 0 50 KDAA in-vitro CC(C)(O/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(C[N+]3(CCNC(=O)c4ccc(O)c(O)c4Cl)CCCC3)CS[C@H]12)c1csc(N)n1)C(=O)O 163902304 DBPPRLRVDVJOCL-FQRUVTKNSA-O 753.236 1.153 0 50 KDAA in-man COCCC(=O)N1C[C@H]2NC(=O)[C@H](Cc3ccccc3)NC(=O)CN(CCOC)C(=O)[C@@H](CC(C)C)NC(=O)COc3cccc(c3)[C@@H]2C1 952864988 KDALUIYIEVXHIX-SYQUUIDJSA-N 679.815 1.260 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)[C@@H](N)CCSC)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952869956 RACSEAJOMWVYJY-UIOOFZCWSA-N 623.780 1.678 0 50 KDAA C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1565750577 KQTZVENXVUVZFB-UIRBPSNDSA-N 799.008 1.328 0 50 KDAA biogenic,in-vitro CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CC23CC4CC(CC(C4)C2)C3)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704324397 ODAZXIKRTMDMAR-YHBAKRNRSA-N 678.875 1.819 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCOc1ccc(F)cc1C(=O)N1CCN(CCNC2=O)CC1 1704329534 WLLPVJYGIVSHJR-UHFFFAOYSA-N 538.580 1.975 0 50 KDAA COCCC(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1 1772703318 FJVNXQVYNHUNFO-KCWPFWIISA-N 569.707 1.293 0 50 KDAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(CC(=O)O)CCNC(=O)COc2cc(ccc2OC)C1 1857704505 VGYZITUBQQLAPJ-HHHXNRCGSA-N 533.622 1.379 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c2ccc(OC(F)F)cc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857705896 ZRYOLKXLSOPYJK-RZDWPUGNSA-N 691.692 1.751 0 50 KDAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)[C@H]1CC(=O)N(c3ccccc3OC)C1)CCCNC2=O 1857706060 INYHJXFEPABVCT-SFHVURJKSA-N 524.574 1.214 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)c1nc(-c3ccc(F)cc3)[nH]c1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1875241185 QFLJJSGJSZTXFU-CJAUYULYSA-N 580.617 1.079 0 50 KDAA O=C(CCN1C(=O)C=CC1=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]1CC/C=C/CCC1 103691045 BJZRPWAVCDJCTC-RDUCDJESSA-N 523.627 1.863 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@](C)(OC(=O)c1ccccc1)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O 535386104 YJDNHPICMWQYIV-NKSXJAIVSA-N 925.890 1.842 0 50 KDAA in-vitro C[C@H](NC(=O)CCOCCOCCOCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(CO)cc1 606235271 SAXNVMPCIWDUGW-PBCNQIPESA-N 848.951 1.482 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)Cc1cccnc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952856491 HFZFAYOXDGXJNX-OJDZNQKVSA-N 692.818 1.642 0 50 KDAA COc1ccc2ccccc2c1CN1C[C@H]2CC(=O)NCCN(C)C(=O)c3cccn(c3=O)Cc3cn(nn3)[C@H]2C1 1616068702 NVSPMWMFYWZNGF-RLWLMLJZSA-N 555.639 1.915 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2cccc3c2ccn3C)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704322975 MPIPHCAFGZUNQO-BAECYATFSA-N 659.788 1.018 0 50 KDAA CCCN1CCC(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 1704327417 CVGUEEYVETUCEP-QPUNSIDKSA-N 671.843 1.709 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ccc4c(c3)OCC(=O)N4)CC2)Oc2ccc(cc2)OCCNC1=O 1772713590 MSAUIPQJFCVGMJ-JYUFKMNQSA-N 726.787 1.317 0 50 KDAA Cc1ccccc1-c1noc(CCCC(=O)N2CCCC(=O)NCCOc3ccc(F)cc3C(=O)N[C@@H](CCC(N)=O)C(=O)NCC2)n1 1857709584 GSIXWNWJJPDNBC-VWLOTQADSA-N 665.723 1.805 0 50 KDAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 2071009 FJCKNFKZCBCUMM-FEYWKWKCSA-N 545.573 1.987 0 50 KDAA N=C(N)NCCC[C@H](NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)O 2090387 MVNQWNFQRWBWGT-INIZCTEOSA-N 526.502 1.148 0 50 KDAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@@H](C)O 252327525 LZGFTUHZKYUTCB-BQRPEJFJSA-N 577.634 1.996 0 50 KDAA C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[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]43)[C@]2(C)O)C1 253487069 DHQFYEJMFMYGCV-VLKDBFGJSA-N 591.786 1.711 0 50 KDAA 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]c(O)n3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704319465 WEVHCDKZOSJOBX-GQPIUQTDSA-N 800.918 1.087 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)CCc2ccncc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772703820 JPCSJSOLHHTDLM-WTWMYVDVSA-N 640.741 1.131 0 50 KDAA Cc1cc(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)cc(S(N)(=O)=O)c1C 1772714582 YBTRAXBZXSWBOL-CLCZQPDDSA-N 737.884 1.084 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(OC)c(c2)OCCCNC1=O 1775979488 IVYBZRBYRGOEHE-NHZRIVAWSA-N 538.645 1.972 0 50 KDAA CCCC(=O)N[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c3cc4cc(C)ccc4n3C)C(=O)N2C1 1857703714 XIWWXDMIPMPAKE-KXEAFHOWSA-N 610.712 1.121 0 50 KDAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N2C[C@H]3C[C@H](CN(C(=O)CCCS(N)(=O)=O)C3)[C@@H]2CCCC(=O)N1 1857740933 UBEFGRMBKZCWBT-TWGBQZSLSA-N 512.717 1.862 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1S(=O)(=O)c1c(C)cnn1C 2100533197 FIVGWOBVVKQRTL-LEWJYISDSA-N 547.678 1.469 0 50 KDAA Cn1c(C(=O)NCCN=c2[nH]c(=N)[nH]c(=Nc3ccccc3)[nH]2)cc(Br)c1Br 2325879459 WGTUWRQXMFSPRO-UHFFFAOYSA-N 510.194 1.577 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCc3ccnn3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704326362 AHMIBBAMECVQBS-CSZVXOJQSA-N 639.798 1.107 0 50 KDAA CC(C)CNC(=O)c1cc2cc(c1)C(=O)N[C@H]1CN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)C[C@@H]1Oc1ccc(cc1)CNC(=O)CO2 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CC(=O)N[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC[C@@H]1O[C@@H]2OC3(CCCCC3)O[C@@H]2[C@@H]2OC3(CCCCC3)O[C@H]12 244998719 KQPACFUEGAAHNG-XQURBTSOSA-N 669.721 1.904 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)Cn1ccnc1C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704316601 WXXRFSUSQSHJSY-HJRZCVLXSA-N 703.841 1.591 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)CN3CCOc4ccccc4C3)CC2)Oc2ccc(cc2)OCCNC1=O 1772705074 KCCSTTJQWSHMPH-DRVYDUGISA-N 740.858 1.567 0 50 KDAA Cc1nc(C)c(C(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC3=O)s1 1772713811 SXJOYHYYZBZICT-ZGOJTZKKSA-N 706.822 1.032 0 50 KDAA O=C1CN(C(=O)C2CCOCC2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857741613 DIZKYGGFBBXTMR-SANMLTNESA-N 589.697 1.597 0 50 KDAA CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)OCc1ccccc1 150654556 AMVPQXWWHXMIJM-ONEAYSBLSA-N 659.784 1.885 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)C3(O)CCN(C)CC3)C[C@@H]1OCc1cccc(c1)O2 952866065 YOJYPOXAKWMVEO-NSOVKSMOSA-N 625.723 1.490 0 50 KDAA CC(C)=CCN1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C 1704322546 LSTGALBFEJFQFW-VTZPFEBOSA-N 513.683 1.490 0 50 KDAA COc1ccccc1OCC(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1772713949 WTTNWRGJWUWMMB-MXSCXNJPSA-N 671.751 1.191 0 50 KDAA CN(C)c1cc(CNCC(C)(C)C)c(O)c2c1C[C@@H]1C[C@@H]3[C@@H](N(C)C)C(=O)C(C(N)=O)=C(O)[C@]3(O)C(=O)C1=C2O 201482279 VJYKVCURWJGLPG-OHOOGKLFSA-N 556.660 1.166 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3c[nH]c(=O)cn3)C[C@@H]2Oc2ccc(cc2)CN1 1772703506 NRYSKBVNPKIRND-DQEYMECFSA-N 559.579 1.269 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)C2(CCNCC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772707789 YXWXPHLCABZUFF-QGUKFAFCSA-N 579.698 1.069 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(Cl)cn2C)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714029 YVAQFIADLLMPQT-YMSRPXOMSA-N 649.148 1.409 0 50 KDAA CC(=O)N1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1857741648 QDGZEPNZSLSVHV-QHCPKHFHSA-N 519.606 1.191 0 50 KDAA C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O 150344347 WZHKXNSOCOQYQX-FUAFALNISA-N 873.032 1.028 0 50 KDAA in-vitro CO[C@@H]1C[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@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257361050 KWBPKUMWVXUSCA-UOEARNLRSA-N 696.831 1.079 0 50 KDAA COc1cc(F)ccc1CN1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(c(OC)c2)OCCn2cc(nn2)CC1 952863721 CHUCOUQTEXKXDG-JCWMKJMESA-N 717.799 1.895 0 50 KDAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N2C[C@H](NC(=O)[C@H]3CCC(=O)N3)C[C@H]2C(=O)N1 1704328203 LGFFTSJNYQVYDJ-XEHJWGTRSA-N 578.714 1.520 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2c[nH]c(=O)cn2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817375 CRDUYPJFIPDSAP-UUOWRZLLSA-N 618.676 1.627 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCCn2cncn2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775978240 DMCUFIXDWNETHB-IDISGSTGSA-N 609.732 1.593 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)c3ccc4ccccc4n3)CN2C(=O)[C@@H](NC(=O)c2ccc3c(c2)CCO3)CCCCN1 1857702594 OQPCCHJSHOBLFI-OHXOMFROSA-N 670.723 1.317 0 50 KDAA O=C(NCC[C@H]1CN(C(=O)C[C@H]2OCCc3ccccc32)CCS1(=O)=O)c1ccc2oc(O)nc2n1 1875287307 DGKXCTKHELMXPV-OXJNMPFZSA-N 514.560 1.378 0 50 KDAA Cn1ccnc1N1CCN(CCCCCC(=O)Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325899838 AIHFGQKFXVWIML-FQEVSTJZSA-N 535.605 1.142 0 50 KDAA C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@H]5[C@H]4C[C@H](O)[C@@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O 257346910 DVTBKGKMSDFCAF-NLVHJQKESA-N 536.662 1.427 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)CCn2c(O)nc3ccccc32)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952857193 MOTUASQHYXRYRO-TVYLWUJTSA-N 721.856 1.395 0 50 KDAA CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCCN(Cc3cccc(F)c3)CC2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952865823 WMHMMXJNDAKNAM-VMZSBMANSA-N 678.806 1.616 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cc1cc(C)no1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704317113 GGEOOYGUQMRGGX-RUZDIDTESA-N 538.605 1.576 0 50 KDAA COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3C(=O)c4ccc(C)cc4C3=O)CC2)c1 1875255689 ZVWWTLUVGYKZMC-CQSZACIVSA-N 505.574 1.361 0 50 KDAA CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)c1ccccc1OCCOc1ccccc1N(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O 94303148 YJIYWYAMZFVECX-UHFFFAOYSA-N 764.690 1.012 0 50 KDAA in-vitro CO[C@H]1C[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@H]4CC[C@@]3(O)C2)O[C@H](C)[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253501750 KWBPKUMWVXUSCA-KVMHOBDJSA-N 696.831 1.079 0 50 KDAA CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](N)Cc1c[nH]c2ccccc12)C(=O)O 255993846 PBLMMVDDGREFKH-KXIGYTACSA-N 882.036 1.594 0 50 KDAA 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)n(C)n1 1704323398 VDXCXNWETGFILA-XGBDYCOJSA-N 721.885 1.217 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)C2(C(N)=O)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704323529 UWUYCAWWEMLPGB-MSQQPOPZSA-N 676.815 1.576 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(F)cc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772704344 SXFDMYZFCPKFNJ-YNOBPPCASA-N 629.689 1.556 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc[nH]1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713387 IPIJKBVWQQCMPE-SQHAQQRYSA-N 576.702 1.898 0 50 KDAA Cc1ccc(C(=O)N2CCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)CC2)s1 1875322263 NQBYSXHPXGUHSP-SFHVURJKSA-N 548.108 1.776 0 50 KDAA C[C@H]1C(=O)Nc2cc(C(=O)N3CCOC[C@@H]3c3cn(CC(=O)NCc4ccccc4)nn3)ccc2N1C 2325851192 RKDUMMLTQMVIPW-GAJHUEQPSA-N 503.563 1.585 0 50 KDAA Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1OCC(N)=O 2845911 XQWOIMAAWIYVMW-UHFFFAOYSA-N 503.986 1.334 0 50 KDAA CC[C@H](C)C(=O)O[C@@H]1CC[C@@]2(C)[C@H]3C[C@@H](O)[C@@H]4[C@@]5(O)[C@@H](C[C@@]42O[C@]13O)[C@@H]1CN2C[C@H](C)CC[C@H]2[C@@](C)(O)[C@H]1[C@H](O)[C@@H]5OC(=O)[C@](C)(O)CC 253487874 SGYGAUUUPXBOSA-JARVZVRZSA-N 693.875 1.495 0 50 KDAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)c1csc([C@@H](N)CC(C)C)n1)CCCNC2=O 2100533629 BKWYXJWMSKUDQL-SFHVURJKSA-N 503.625 1.969 0 50 KDAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)C23CCCCC=CCCCCC12[C@H](C(=O)OC)C(=O)[C@@H]3C(=O)OC 1501069144 BYXGTOLZSAQYLZ-OLAGUYBISA-N 506.548 1.972 0 50 KDAA 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]3CCC(=O)N3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321440 OTJJTQAUFQSNBW-WXJTXRPUSA-N 800.958 1.229 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2csc3ccccc23)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704321444 OXTMJJXPFNHYGC-IURLTMSJSA-N 662.813 1.741 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)C2CCC2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704322351 MVLONPDYNUTGSQ-KXVOBZHYSA-N 660.816 1.706 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(Cc3ccncc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323541 QTRCXQCQDHGPKS-CSZVXOJQSA-N 594.757 1.810 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cnc4cccnn34)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356160451 SPHPPYCSGVTZQB-DHLKQENFSA-N 572.578 1.457 0 50 KDAA Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4nn(C)c(C)c4Cl)[C@H]3SC2)s1 2751982 AOVCYMCWDYMJHB-IAQYHMDHSA-N 501.015 1.686 0 50 KDAA C[C@H]1C(=O)O[C@@H]2[C@H]1O[C@@]13O[C@]4(CC[C@@]5(C)C(=O)[C@H](C)[C@@H]2[C@H]51)C[C@@]12OC(=O)C[C@@H]1OC(C)(C)[C@H]2C[C@@H](O)[C@@H]4C3=O 95912717 CWFGQJNQESAHDH-YNKBLOEBSA-N 544.597 1.483 0 50 KDAA biogenic,in-vitro C[C@H]1O[C@H](O[C@H]2C[C@H]3[C@]4(CC[C@]5(C)[C@@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]35C)C[C@@]43CC[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]23)[C@@H](O)[C@@H](O)[C@@H]1O 253503745 UPADPCUOTDTWHH-SKGQVQGBSA-N 768.982 1.752 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)CNC1=O 952855950 VKINQYCYNTVLLE-VZEXLMLGSA-N 707.825 1.171 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cnc(N4CCCCC4)nc3C)C[C@@H]1NC2=O 952861617 CMIIURIGUQVNFX-DHLKQENFSA-N 562.631 1.608 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)Cc3n[nH]c4ccccc34)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704336275 KHMQTMCGYSECOB-RYCXQYRLSA-N 661.804 1.860 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)c2ccc3c(c2)OCCO3)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772702587 SUNWBMZKHIKCCJ-PPJWLVRDSA-N 724.841 1.140 0 50 KDAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCn2cnnn2)CCNC(=O)c2csc1n2 1772817541 OMRDSGIZESUDFS-SFTDATJTSA-N 634.723 1.697 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2nc3ncccn3n2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100534261 ZZHMKBYWENBJMJ-JOCHJYFZSA-N 559.631 1.560 0 50 KDAA CCNC(=O)[C@H](c1cnn(-c2ccccc2)c1)N(CCc1nnc(S)n1C)C(=O)c1ccnc(O)c1 2325823211 KBWVAZSFDSUXKS-NRFANRHFSA-N 506.592 1.952 0 50 KDAA CC(=O)NCC(=O)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952863567 QMMXCVPQSFSNJJ-AHKZPQOWSA-N 500.559 1.955 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(Cc2cccnc2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952863978 FFUIYUKSRNXZAA-HAFIXEQPSA-N 624.783 1.318 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)CCc2nc(-c3cccnc3)no2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952870258 ZBAONQMTMLJZHA-TVYLWUJTSA-N 734.855 1.327 0 50 KDAA CC(C)C[C@@H](NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)NCC(N)=O 70665556 WUHOEYOFJCYKLD-GOSISDBHSA-N 539.541 1.448 0 50 KDAA biogenic CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 150345582 NEGOLAGPKZGIKJ-DZUOILHNSA-N 838.753 1.739 0 50 KDAA in-vitro CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N[C@@H](C)c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952856365 GKXXACZMXHPMBI-IEOHQWBCSA-N 591.709 1.620 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(Cc1cccnc1N)CCCNC(=O)[C@@H](C)NC2=O 1704322044 DLUGQEGLNJPGJR-LJQANCHMSA-N 506.611 1.673 0 50 KDAA C[C@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)Cc3ccc(-c4ccccc4)cc3)C[C@H](CNC1=O)O2 1857696536 FYRKWVMYQUXPDJ-OQTWNIQDSA-N 625.726 1.313 0 50 KDAA COCCN1CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCCCN(C(=O)c3cccc4ncsc34)CCCC1=O)C2 1857726244 YSIHTJACUQDWEE-IBGZPJMESA-N 595.726 1.534 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)[C@@H](C)O)CCNC2=O 1875241557 FPSKLGLNYSCYHG-KBMIEXCESA-N 564.643 1.799 0 50 KDAA CC(=O)Nc1cccc2oc(C(=O)N[C@@H]3CCCN(CC(=O)Nc4ccc(S(N)(=O)=O)cc4)C3)cc12 2325899472 FZYAXZKIIRTCQV-QGZVFWFLSA-N 513.576 1.872 0 50 KDAA CNC(=O)CCC(=O)N[C@H]1O[C@@H]2CC[C@@H]3[C@@H]2[C@@H]2[C@@H]4[C@@H]5[C@H]([C@@H]6CC[C@@H]7O[C@H](NC(=O)CCC(=O)NC)[C@](C)([C@@H]5[C@H]76)[C@H]34)[C@]12C 253596580 SWJNZTGFSRJUQQ-CJTHURAXSA-N 582.742 1.538 0 50 KDAA CC(C)CC(=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 1704315805 DTAVFKJMJMDCEW-PMCMNFEZSA-N 661.800 1.367 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CCc2ccncc2)C[C@@H](c2ccccc2)NC1=O 1704316800 CSVWAXUMXVMIBF-RLCLQLSTSA-N 679.778 1.389 0 50 KDAA COc1cccc(-c2ncc(CN3C[C@@H]4CC(=O)NCCN(C)C(=O)c5cccn(c5=O)Cc5cn(nn5)[C@@H]4C3)s2)c1 1704317958 LRBHLMGGRUXTQU-NBGIEHNGSA-N 588.694 1.885 0 50 KDAA 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)CCCn3cncn3)C[C@H]2C(=O)N1 1704326582 HWNZHDFANKMUPC-KWMFPTODSA-N 666.824 1.434 0 50 KDAA COc1ccc([C@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)n3ccccc3nc2=O)cc1 1776111556 FBSCIKZYNZBTEK-IBGZPJMESA-N 527.537 1.750 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)CCc1nc(O)n[nH]1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2356134090 XOAQCINZWWWVCH-RUZDIDTESA-N 582.662 1.273 0 50 KDAA CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1 100229797 KJCMZQXFFDGQSO-NRFANRHFSA-N 537.476 1.232 0 50 KDAA O=C([C@]12[C@@H]3[C@H]4[C@H]([C@@H]5[C@@H]1[C@H]3[C@@]4(Br)C51OCCO1)C21OCCO1)[C@@]12[C@@H]3[C@H]4[C@@H]([C@@H]5[C@H]1[C@H]3[C@@]5(Br)C41OCCO1)C21OCCO1 252427760 DZQMLNPYAZFVFQ-VKBPERNNSA-N 680.342 1.299 0 50 KDAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(CC(=O)N3CCOCC3)C[C@@H]1NC(=O)CN(CCCO)C2=O 952857299 LGCTWDLZVRIPHY-UIOOFZCWSA-N 596.681 1.260 0 50 KDAA CC(=O)N1CCOc2ccc(S(=O)(=O)N3CCCNC(=O)c4cc(Cl)ccc4OCCNC(=O)C3)cc21 1857707702 HDVQKMWUNUIPGA-UHFFFAOYSA-N 551.021 1.405 0 50 KDAA Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)OCc3ccccc3)ccc12 4095843 DLELKZFCVLJXKZ-GOTSBHOMSA-N 621.699 1.346 0 50 KDAA biogenic CCCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@H]1c1cn(Cc2nc(C(=O)OC)co2)nn1 1875346769 MZXBZJCIZASYLY-OALUTQOASA-N 508.601 1.749 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC1=O)CN(S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)C3 2100532808 AOJFNZZWKUQRMN-ZNACULQGSA-N 621.760 1.825 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)Cn1cnc3ccccc3c1=O)CCCNC2=O 2356135754 RWQKDMUNLIOJAF-LJAQVGFWSA-N 630.706 1.860 0 50 KDAA CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)NCC(N)=O 150484910 WJZKBWUZYSGXBV-YADHBBJMSA-N 636.658 1.439 0 50 KDAA C[C@H]1O[C@H](O[C@H]2C[C@H]3[C@]4(CC[C@]5(C)[C@@H]([C@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]35C)C[C@@]43CC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]23)[C@@H](O)[C@@H](O)[C@@H]1O 253503735 UPADPCUOTDTWHH-GKQZFGDRSA-N 768.982 1.752 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)CCn2cnc3ccccc3c2=O)CCNC1=O 952863436 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KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(Cc1cnn(C)c1)CCCCNC2=O 1857702889 SQFAVKHGTHQCFP-RUOFSAEFSA-N 707.829 1.878 0 50 KDAA Cc1noc(C)c1S(=O)(=O)N1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1857740822 OGBSBIURKHDKQW-VWLOTQADSA-N 636.735 1.638 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(c3n[nH]c(=N)s3)C[C@@H]1NC2=O 2356162278 FYBYDKGGYDDDLB-ZWKOTPCHSA-N 528.566 1.563 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 2059873 FDAUQLBUTNRJLO-RKKARLDVSA-N 531.546 1.597 0 50 KDAA Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)CCc1c(C)noc1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952863268 HLUDSNZMNNZFLL-HRFSGMKKSA-N 581.674 1.273 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1ccncc1)CC(=O)N[C@H]2Cc1ccccc1 1704324061 VYSBXVGDHUBOLI-VEXUSMLFSA-N 560.659 1.183 0 50 KDAA CC[C@@H]1NC(=O)CN(C(=O)CN2CCN(c3ncccn3)CC2)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775984354 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COC(=O)[C@](O)(c1ccc2c(c1)CCN2[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O)C(F)(F)F 245255459 IJOAIKTXOURHMD-QKFZZVSKSA-N 605.515 1.055 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CCN(C(=O)c3ccc4c(c3)OCCO4)CC2)CNC1=O 952859226 PEOOWRXTJSNLNO-AGTBWSIUSA-N 707.825 1.285 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc3c(c2)OCO3)CCNC(=O)COc2cccc(c2)C1 1857704499 UWBBDWXRCNUJND-PMERELPUSA-N 583.638 1.701 0 50 KDAA CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C[C@@H](O)COc2c(Br)cc(Br)cc2Br)CC1 5313254 ZZWQZNZGDWHANW-GFCCVEGCSA-N 651.154 1.903 0 50 KDAA 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)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@]43C)[C@@H]2C1 49781954 DZVIFFMYEULLBY-ZBNHRINCSA-N 666.849 1.406 0 50 KDAA biogenic,in-vitro Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 59620381 NAFWMADSTBGBMT-ZEQRLZLVSA-N 562.714 1.542 0 50 KDAA C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C 253656704 WVXIMWMLKSCVTD-JLRHFDOOSA-N 801.024 1.120 0 50 KDAA CCc1nc(C)c(C(=O)N2CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](Cc3ccc(OC)cc3)NC(=O)CCC2)o1 1704328160 YECCHFZOFKFNBR-UGKGYDQZSA-N 541.649 1.871 0 50 KDAA CS(=O)(=O)NCC(=O)N1CCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@@H]2C(=O)NCC1 1875242136 ONJFMUZNURGJFY-PKTZIBPZSA-N 563.076 1.472 0 50 KDAA CCCCS(=O)(=O)N1CCCC[C@H]1C(=O)N1CCC[C@@H]1c1cn(Cc2nc(C(=O)OC)co2)nn1 1875346767 MZXBZJCIZASYLY-MOPGFXCFSA-N 508.601 1.749 0 50 KDAA CCOC(=O)C1(NC(=O)[C@H](CCC(N)=O)n2cc(-c3cccc4c3C(=O)NC4=O)nn2)CC(C(C)(C)C)C1 2325898761 YYFSNATXYUGETC-LGROBEQUSA-N 524.578 1.510 0 50 KDAA 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](O)[C@]1(C)O 575338324 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COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cn(-c4ccccc4)nn3)C[C@@H]1NC2=O 1704339244 GWTHNHYRICCNTP-HOFKKMOUSA-N 568.590 1.987 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(c3ncnc4[nH]cnc34)CC2)Oc2ccc(cc2)OCCNC1=O 1772713345 DOKLJCUWPOWIEY-MCEYFSPLSA-N 669.743 1.016 0 50 KDAA CCCC[C@@H]1NC(=O)c2cc(C)ccc2OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC)NC1=O 952857088 YGLUPCXEXYREED-UKJMRWJMSA-N 704.829 1.072 0 50 KDAA COc1ccc2[nH]c(C(=O)N3CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H]4CCO[C@H](C3)[C@H]4O)cc2c1 1704317943 LEWHWAWDQOOOTO-DUCFQENDSA-N 704.825 1.372 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)[C@H]2CCCO2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704323575 YXHFCEXRAPMKON-LIENTZCRSA-N 757.980 1.956 0 50 KDAA COc1ccc2[nH]c(C(=O)N[C@@H]3C[C@H]4C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c5ccc(-n6cccn6)cc5)C(=O)N4C3)cc2c1 1857704256 KPRTVJVYKNMEOY-PBNCGBIJSA-N 712.764 1.510 0 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50 KDAA biogenic CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CCCc2cccs2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704323570 RDAVUUNYBCSWSB-IPXCCWATSA-N 654.834 1.297 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3cccnc3)C[C@@H]1CC(=O)NCCN(C)C2=O 1704323841 HFDYVNZHGCEEHD-GHTZIAJQSA-N 519.562 1.166 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cccc3c2OCCO3)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704323992 KJOUZINWNBESSP-HHBKXFTDSA-N 724.881 1.029 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)CSc2cccc(OC)c2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704335808 GYLYLSSWQXDBHI-WPJUPHJLSA-N 738.908 1.051 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772714591 YHXWFZOJEULCLI-KZFQQWRHSA-N 784.937 1.953 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CN2CCOC2=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772816801 BQXZCAJFCOBVDS-CYFREDJKSA-N 623.692 1.682 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)COC)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980882 KFYZLGKMPOLXJS-UUOWRZLLSA-N 544.653 1.168 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(Cc2ccc(Sc3nncn3C)o2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952862985 PSOFUPNLZHVESZ-OJDZNQKVSA-N 726.901 1.796 0 50 KDAA Cc1ccc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)cc1N1CCNC1=O 1772713658 OBXXAHYEWMMDKN-XTBZXYEFSA-N 700.797 1.662 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1cc(C(=O)N3CCN(CCn4cncn4)CC3)cc(c1)-n1ccnc1-2 1857725612 FTMCOXRHDUPWQX-UHFFFAOYSA-N 542.600 1.606 0 50 KDAA O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 22947461 NJVOYKMQEQLAAE-UHFFFAOYSA-N 549.738 1.106 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(Cc3cc(=O)n4cc(Cl)ccc4n3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713324 JMDHSEWVTQSWGX-KAPREGSVSA-N 774.275 1.368 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc(S(N)(=O)=O)ccc2OC)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775983857 UHKDGYWEAIGMDN-MMTVBGGISA-N 685.804 1.491 0 50 KDAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)CNC(N)=O)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857703001 MAAOSMHYOUJZFO-OUTSHDOLSA-N 745.834 1.755 0 50 KDAA 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)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O 49823254 CMZFNIMQBCBHEX-APNSOIJXSA-N 666.849 1.406 0 50 KDAA biogenic,in-vitro CSc1ncccc1C(=O)N1CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc2cccc(c2)OCC(=O)NCCC1 952862971 OPRLWPUVLFEQBO-RQELPRGNSA-N 684.860 1.680 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)[C@H]1CCCO1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714375 NXUGBGZAKQWMDL-OASJLCFRSA-N 581.718 1.435 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)C(C)(C)OC)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356161720 GQAGQOAUFDJBNJ-GMAHTHKFSA-N 527.574 1.526 0 50 KDAA CCN1CCN(CCCNC(=O)CNC(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3ccccc23)CC1 20107286 PHXDYRKBQXYGDL-UHFFFAOYSA-N 506.607 1.268 0 50 KDAA CC(C)[C@]1(O)NC(=O)[C@H](C[C@]2(O)c3ccccc3N3C(=O)C(C)(C)N[C@H]32)n2c1nc1ccccc1c2=O 225458870 ZCTHXQVUJKDGDA-OCPVPXFWSA-N 503.559 1.201 0 50 KDAA biogenic CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@H]2CCCO2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704323010 NIVOVMBFHVUHOH-CSDJCQBZSA-N 676.815 1.085 0 50 KDAA Cc1cc(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)nc(C)n1 1704324411 PAAAWCOYYJNBRU-MHJVWHQZSA-N 701.825 1.066 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772714147 CAEBHDYFPAEOCD-SGQICDRISA-N 820.008 1.804 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)N(C)C)CCNC(=O)COc2cc(ccc2OC)C1 1857707152 GOIZHWFQJKQTAK-MHZLTWQESA-N 582.720 1.101 0 50 KDAA COc1c[nH]c(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CC2)c2ccccc24)cc1=O 1875241970 YZBPAXVKNYMYRX-GYERCMHNSA-N 505.575 1.072 0 50 KDAA CNS(=O)(=O)NC1CCN(C(=O)N[C@H](CNS(=O)(=O)c2ccc(C)cc2C)c2ccccc2)CC1 1875322261 NPLDCIJLBJNHCH-OAQYLSRUSA-N 523.681 1.551 0 50 KDAA COc1ccc(N2C(=O)C[C@@H](N3CCCN([C@@H]4CC(=O)N(c5ccc(OC)cc5)C4=O)CC3)C2=O)cc1 22799198 HTTCOCLRQAUGKU-DHIUTWEWSA-N 506.559 1.676 0 50 KDAA C[C@@H](O)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O 252694989 SSMKLDJJCIRAMZ-JFHUYLGKSA-N 505.612 1.995 0 50 KDAA biogenic 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)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2[C@]1(C)O 253476494 WKKBYJLXSKPKSC-GXOCXQRCSA-N 666.849 1.406 0 50 KDAA biogenic,in-vitro O=C1CN(CC2CC2)C(=O)[C@H](Cc2cnc[nH]2)NC(=O)COc2cccc(c2)[C@H]2CN(C(=O)c3ccncc3)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)N1 1704318619 PRWSFIPLYMDFPD-WNQXLSPZSA-N 718.815 1.615 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCn3ccccc3=O)C[C@@H]1NC(=O)CC2 1772713940 WPXWQGDXMRAMPU-IGKIAQTJSA-N 574.634 1.663 0 50 KDAA CC[C@@H]1NC(=O)CN(C(C)=O)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775982060 GYDFUFPULUXDOS-LITSAYRRSA-N 642.761 1.937 0 50 KDAA COC(=O)c1ccsc1N1CC[C@@H](NC(=O)[C@@]2(O)CC(=O)Nc3ccc(Br)cc32)C1=O 2325851132 PYJUIJBVTQHNAX-JLTOFOAXSA-N 508.350 1.749 0 50 KDAA C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(C(=O)C[C@H]2Cn3cnc(C(N)=O)c3NC2=O)CC1 2325872556 DDIDUOIIEYOKFI-HIFRSBDPSA-N 546.510 1.915 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3ccc4c(n3)N(C)CC4)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162882 SAAMARQZBLAAOQ-BDYUSTAISA-N 587.633 1.802 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 196001665 NCEAGRHWPMBXDK-FSGGUYTISA-N 684.651 1.568 0 50 KDAA CCOc1ncccc1C(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2ccc(cc2OC)C(=O)NCCC1 952857128 KPYGPRMSCPERGY-FQEVSTJZSA-N 569.659 1.887 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(F)c(c2)Oc2ccc(cc2)C[C@@H](C(=O)NC[C@@H](O)CO)NC1=O 952861613 FUVNXBMVJKZISI-ZBBWKFRYSA-N 648.732 1.929 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CN3CCOC3=O)C[C@@H]1OCc1cccc(c1)O2 952862703 DAAGBEYZUIAQMI-UIOOFZCWSA-N 611.652 1.485 0 50 KDAA CC(C)C[C@@H]1NC(=O)CCCNC(=O)[C@@H](NC(=O)c2ccccc2)Cc2ccc(cc2)OCC(=O)NCCN(C)C1=O 1704321810 FZPPVZWXCKLQEG-UIOOFZCWSA-N 579.698 1.422 0 50 KDAA C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@H](O)[C@@H]1O 1848443867 WPVGSIBYLZQSIK-ORHFZHSQSA-N 536.662 1.429 0 50 KDAA CC(C)CCCC(=O)N1CCNC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2coc(n2)[C@@H](Cc2ccccc2)NC(=O)c2cc(on2)C1 1857725616 FZGAWLSRLLKERQ-SBXRFNHQSA-N 665.748 1.645 0 50 KDAA CC(C)(c1cn([C@H](Cc2ccccc2)C(N)=O)nn1)N1CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)CC1 2325843453 GBTLZJXWEAJBDL-XMMPIXPASA-N 527.633 1.750 0 50 KDAA CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 150668673 JEPURZRNABGOCW-CQUCHYGKSA-N 821.715 1.970 0 50 KDAA CCN(CC)S(=O)(=O)N1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1704323434 WFMTUAXTVAWFIQ-REWPJTCUSA-N 532.619 1.152 0 50 KDAA CO[C@@H](C(=O)N1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C)c1ccccc1 1704324412 PBKMUHZPRSKTCZ-CGNDNVFTSA-N 593.725 1.438 0 50 KDAA O=C1CN(C(=O)c2ccc3c(c2)CCCO3)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857740501 QAIXMKOFFLRPHH-SANMLTNESA-N 588.665 1.623 0 50 KDAA Cn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCc1ccccc1)C(=O)CCCN(C(=O)c1cc[nH]c1)CCNC2=O 1875242728 YXSLNMGBCBSLQH-QHCPKHFHSA-N 559.671 1.459 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](NC(=O)OCC(Cl)(Cl)Cl)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 117750388 LREZJCUWSKPMMD-KJWHEZOQSA-N 522.718 1.166 0 50 KDAA CC[C@H](C)N1[C@@H]2OC([C@@H]3O[C@H]4[C@@H](O3)N([C@H](C)CC)S(=O)(=O)N4[C@H](C)CC)O[C@H]2N([C@@H](C)CC)S1(=O)=O 245235574 LRTSTELZGUFNQB-BDDIYHEHSA-N 554.732 1.955 0 50 KDAA C[C@H]1Cc2cccc3c(O)c(C(=O)Nc4cc(Cl)c(S(N)(=O)=O)cc4S(N)(=O)=O)c(=O)n1c23 299738211 JVHYXSIAONATCN-QMMMGPOBSA-N 512.953 1.025 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCSC)NC2=O 952857414 MXLODWSKFNQFRG-YADHBBJMSA-N 552.657 1.575 0 50 KDAA CC(C)CCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccc4c(c3)ncn4C)C[C@H]2c2cccc(c2)OCC(=O)N[C@@H](CO)C1=O 952862319 NYOVEDIKSYPDKW-ZULDEQBTSA-N 737.858 1.769 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCOc1cccnc1C(=O)NCC[C@H]1CN(CCO1)C2=O 1704318609 OLTVETYMIVHXCV-FQEVSTJZSA-N 522.562 1.704 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3cnc[nH]3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322061 DSYKHUOKLGZVBD-GPUOULLFSA-N 611.744 1.266 0 50 KDAA COCCn1ccnc1CN1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCC1 1704324436 QIOGFGGJZVJJNP-URXFXBBRSA-N 542.681 1.215 0 50 KDAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(C(=O)CO)CCNC(=O)CC2 1857726237 YNWKTXSSVXXSFG-NRFANRHFSA-N 511.575 1.584 0 50 KDAA CCCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N1CCC[C@@H]1c1cn(Cc2nc(C(=O)OC)co2)nn1 1875346773 MZXBZJCIZASYLY-RTBURBONSA-N 508.601 1.749 0 50 KDAA CN1CC(=O)N[C@@H]2CN(C(=O)CCn3ccc(O)nc3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1616107720 DHJBJJADGTYQCT-FTJBHMTQSA-N 589.649 1.838 0 50 KDAA CCOC(C)(C)C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772713455 MNHCVGNGFQRFTR-FDJWOJMMSA-N 646.745 1.521 0 50 KDAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cn2ncnn2)CCNC(=O)COc2ccc(cc2OC)C1 1857705065 QZGOEPSNUIBVNG-LJAQVGFWSA-N 601.705 1.144 0 50 KDAA CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c1 1875352277 ZMIIXNWKRWARMB-UHFFFAOYSA-N 565.096 1.897 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)C3CCOCC3)C[C@@H]1NC2=O 2356162984 OFLZOUSLBURWTF-CPJSRVTESA-N 539.585 1.527 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@H]23)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 244998718 KQPACFUEGAAHNG-LWUIQSSBSA-N 669.721 1.904 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(=O)c2ccc3ccccc3c2O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 253476092 YRCXXSRBHWKKJC-DFMMODLASA-N 517.487 1.358 0 50 KDAA COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@]23CCCCC=CCCCC[C@@]12[C@@H](C(=O)OC)C(=O)[C@H]3C(=O)OC 1501069141 BYXGTOLZSAQYLZ-HQRHNBOFSA-N 506.548 1.972 0 50 KDAA COc1cccc(OCC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)c1 1772704289 HLHSWLXVGNHAKK-ZDQHWEPJSA-N 715.804 1.760 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(Cc1nc3ccccc3[nH]1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714261 IBRIISMINFEJHR-QUKBAVLQSA-N 670.819 1.921 0 50 KDAA Cn1c(=O)c(F)c(Nc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)cnc21 43196550 RCLQNICOARASSR-SECBINFHSA-N 504.231 1.075 0 50 KDAA investigational COc1cc(C)c2c(=O)cc(C[C@@H](C)O)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)cc1 95909420 OUGNWRCWQLUXHX-ACWXGELRSA-N 556.564 1.518 0 50 KDAA biogenic,in-vitro CC(C)c1nccn1CCCNC(=O)[C@@H]1Cc2ccc(cc2)OCC(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 952862265 HSSXKIZPWPZWJD-CPLCVFOXSA-N 637.782 1.269 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2ccoc2)C[C@H](Cc2ccccc2)NC1=O 1704335552 BWXDICIBKWSMNJ-DLRXVWRPSA-N 551.644 1.099 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(Cc2ccccn2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713045 ALOMCYVRGMUEPE-PPJWLVRDSA-N 617.755 1.575 0 50 KDAA COC(=O)c1cncc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CC2)c2ccccc24)c1 1875242662 WVWOBCIBEZBZPY-IKSSWHGMSA-N 517.586 1.557 0 50 KDAA Cc1nc(CC(=O)N2CCCNC(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]2C)cs1 1704316020 ISGWWYCVWQVAFC-BLFHIAQRSA-N 584.743 1.058 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(CC(C)(C)N3CCOCC3)C[C@@H]1NC2=O 1704321138 DTORPCSBFDDWBY-OZXSUGGESA-N 538.645 1.676 0 50 KDAA Cc1nnnn1CCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704322317 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CC[C@@H](C)C[C@@H](C)CCCCCCCCC(=O)N[C@H]1CCCNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC1=O 1848442064 GEVMNTNTRNXCIJ-CVOABDSYSA-N 762.006 1.654 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)CCCc3c[nH]c4ccccc34)C[C@H](CNC1=O)O2 1857740148 ATMXJLJFPXBHBB-CZNNUQRMSA-N 644.773 1.543 0 50 KDAA CC1(C)NC(=O)[C@H](CCCCCC(=O)[C@@H]2CO2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC1=O 200632806 SGYJGGKDGBXCNY-GNXKAVGDSA-N 526.634 1.017 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3cc(C)nc4c3c(C)nn4C)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704327765 GCFHKRGNWDBVTQ-OFVILXPXSA-N 591.713 1.910 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2ccc(=O)n(C)c2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713078 BZALIWQBMTZMGE-YBBGPBPVSA-N 692.818 1.735 0 50 KDAA CNC(=O)[C@H]1CCCN(c2cc(Br)ccc2S(=O)(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)C1 2325823032 CEYJNHRDXZICLD-HKUYNNGSSA-N 595.582 1.473 0 50 KDAA CCOC(=O)CNC(=O)CCCCSc1ncnc2c1ncn2CCCCC(=O)NCC(=O)OCC 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O[C@@H](COc1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1)CN1CCN(c2ccccn2)CC1 820862 YMFVLSLGXRHKJT-CLJLJLNGSA-N 548.688 1.600 0 50 KDAA Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4nn(C)c(C)c4Cl)[C@@H]3SC2)s1 2751985 AOVCYMCWDYMJHB-NHYWBVRUSA-N 501.015 1.686 0 50 KDAA CC(=O)N[C@@H]1[C@H](Oc2ccc(Br)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 245225801 QBFVABHSGIIDPA-JAZQRGJZSA-N 502.314 1.484 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)[C@H]2CCCO2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775982130 IETFSLGIUDHADO-CYSDGLOUSA-N 570.691 1.700 0 50 KDAA Cc1oc2nc1C(=O)N[C@H](C)CN(C(=O)CCn1cnnn1)CC(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)N[C@@H]2C(C)C 2356136854 MKZWRVZVLZSEOP-LPTQZCDUSA-N 600.706 1.417 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1ccncc1)CCCNC(=O)[C@@H](C)NC2=O 1704316668 ZMEJQODZNVCIFD-LJQANCHMSA-N 505.579 1.731 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(Cc2ccc(C(=O)O)cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772701602 ANLPEAAWPMHWIA-SACAOSOOSA-N 632.718 1.882 0 50 KDAA 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COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)CCN1C[C@H](C)O[C@H](C)C1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704321548 TXAJQRAFIQLCCS-LXEDEWDZSA-N 750.938 1.885 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)Cc2cnc3c(C)cccn23)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322981 RGOFAPAVJCCMFT-ZOMOEZKFSA-N 663.845 1.638 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713402 HBCMUPSMXGRANE-PVBFMNCJSA-N 765.868 1.592 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cn[nH]c3)C[C@@H]2Oc2ccc(cc2)CN1 1772713974 ZARLFAOODBEKII-DQEYMECFSA-N 531.569 1.909 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@@H]2COC(=O)N2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817532 OHKXIESTZIGIDI-JLMWRMLUSA-N 609.665 1.339 0 50 KDAA COCCC[C@@]1(C(=O)N2CCC(O)CC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857699746 XFTPUHDNTDRYIG-HKBQPEDESA-N 577.682 1.914 0 50 KDAA 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NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3N2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 253370061 LNEUAIUQRAFMSN-BWAGFHJFSA-N 549.671 1.786 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2cccc(N(C)C)c2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704330778 FZXWXDGDTSKZJO-ZEZZXZOMSA-N 592.741 1.430 0 50 KDAA 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@]1(C)O 2332764723 MQTOSJVFKKJCRP-UKGNLWFDSA-N 748.996 1.901 0 50 KDAA in-vitro COc1ccc(OCc2ccc(C(=O)N[C@@H]3C(=O)N4C(C(=O)O)=C(COC(C)=O)CS[C@@H]34)o2)cc1 15947432 JSTZNMSVBVDXIM-GCJKJVERSA-N 502.501 1.783 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 159968711 NCEAGRHWPMBXDK-WXMPYKEPSA-N 684.651 1.568 0 50 KDAA C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[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[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C 253389444 LDCLXZSKVDYDBF-LRRWSKMKSA-N 810.975 1.237 0 50 KDAA biogenic,in-vitro CCc1cc(C(=O)N2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc3cccc(c3)OCC(=O)NCCC2)on1 952863808 SYKFHXNPDGEDSW-AUUGNALLSA-N 656.781 1.114 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)CC(C)(C)C)CN2C(=O)[C@H](C(C)C)NC1=O 952864248 ZKQYUTJLBZHSIP-YWSWAUPDSA-N 658.866 1.653 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@@H]1CC(=O)NCCN(C)C2=O 952865042 MQYVZROBXAZMRA-SIKLNZKXSA-N 576.610 1.429 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1cccnc1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740619 MLGXCPNEIBEBEU-BKMJKUGQSA-N 660.728 1.102 0 50 KDAA CCc1ccc([C@@H]2CN(C(=O)C[C@@H]3CCC(=O)NC3=O)CCN2C(=O)C[C@@H]2CCCS2(=O)=O)cc1 2325871609 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1.257 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CN(C(=O)CCCc2cccs2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 952865045 MTJNZKSNZVBDMT-FRDOPEMMSA-N 625.792 1.249 0 50 KDAA Cc1ncc(C(=O)N[C@H]2CCCNC(=O)CN(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC2=O)c(-c2ccccc2)n1 1704323035 SKBWNIRMMNQTRC-WBUMYRJGSA-N 698.825 1.292 0 50 KDAA CC(C)(C)c1cc(Br)cc([C@H](CN(C(=O)CN)C(=O)c2cc(O)cc(NC3=NC[C@@H](O)CN3)c2)C(=O)O)c1 1775953636 CHDFBRXDZCBZFZ-NRFANRHFSA-N 590.475 1.980 0 50 KDAA O=C1CN(C(=O)c2ccncc2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857741632 JULCRDPIWSCYPZ-SANMLTNESA-N 582.665 1.880 0 50 KDAA CCOC(=O)C1CCN(C(=O)[C@@H](C)Sc2ccc3c(c2)C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325900559 AEKNIABLYUMRFT-ACJLOTCBSA-N 501.561 1.370 0 50 KDAA CC(=O)N[C@H]1[C@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 150377448 QOACISSHGAAMLK-MJCYOTSPSA-N 683.667 1.141 0 50 KDAA in-vitro COc1cc([C@@H](CC(=O)NCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)c2oc(C)cc(=O)c2O)ccc1O 888089455 DRDGSQJTPIBKFL-YZGWKJHDSA-N 549.580 1.814 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@@H](NC(=O)c3cc(Cl)ccc3F)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952856026 CHGGLQHGUHONNE-MBBLSOAPSA-N 812.340 1.106 0 50 KDAA CN1CCCOc2cccc(c2)[C@@H]2N(C(=O)CCS(C)(=O)=O)CC[C@]23C(=O)N(CC1=O)c1ccccc13 952857394 FQJXECGHWLHICJ-AHKZPQOWSA-N 525.627 1.920 0 50 KDAA CCCc1cc(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)no1 952861991 JYPBENVJZAANMN-SFHVURJKSA-N 543.621 1.731 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2-c2nc[nH]n2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704322751 OCIVKLPBQVNXKW-WIUHDRIUSA-N 738.846 1.444 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)c2cnccn2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704323509 QKJGHFVBKQFHFG-MNWDEFRCSA-N 765.963 1.881 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CN(C)C3CCCC3)C[C@@H]1NC2=O 1704324872 WVAZIANDQOHUDE-OZXSUGGESA-N 536.629 1.966 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3cccnc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772701318 NOOXRSQUKNMGTQ-MOMDTQCHSA-N 656.740 1.381 0 50 KDAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](N)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857705399 FYFVJOVZOJYPEK-GCJKJVERSA-N 593.685 1.037 0 50 KDAA CO[C@@H]1C[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@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2080912848 KWBPKUMWVXUSCA-ZYMZARRKSA-N 696.831 1.079 0 50 KDAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(CCN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)CC1 100680846 XTDHEOGJUOXHII-CWGXUGAXSA-N 512.566 1.387 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704326432 DPSXVHUZAAJMAG-FBKMTKHPSA-N 727.863 1.460 0 50 KDAA CCOc1ncccc1C(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1772713226 ATVGBCTZJTYEQK-QLCOJLISSA-N 656.740 1.211 0 50 KDAA CCc1nccn1CCC(=O)N1CCCC(=O)N(CC(C)C)CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCC1)C2 1857726229 XYXCENAZBBWTPH-QFIPXVFZSA-N 582.750 1.422 0 50 KDAA COc1ccc(-c2ocnc2C(=O)N2CCCNC(=O)[C@H]3CCCN3C(=O)[C@H](C)NC(=O)c3ccc(c(OC)c3)OCCNC(=O)C2)cc1 1857740071 GNGIGFJQXXSTEQ-SQJMNOBHSA-N 676.727 1.625 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(S(C)(=O)=O)CCNC2=O 1875240679 GHCCVZLJTRMZME-QGZVFWFLSA-N 542.618 1.215 0 50 KDAA O=C(N[C@@]12[C@@H]3[C@H]1[C@@H]1[C@@H]4[C@@H]([C@@H]42)[C@@]3(Br)C12OCCO2)N[C@@]12[C@@H]3[C@H]1[C@@H]1[C@@H]4[C@@H]([C@@H]42)[C@@]3(Br)C12OCCO2 252428144 RCJDUXLRIPBMPW-ADCFBTHDSA-N 566.246 1.047 0 50 KDAA COc1ccc(C2=NO[C@H](CO[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2)cc1 253503708 IXGOAUDJFVQZQQ-JYBHVHJKSA-N 537.518 1.288 0 50 KDAA COc1ccc([C@H](CC(=O)NC2CCN(CC(N)=O)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263586810 YEIWCFPXBQSECZ-KRWDZBQOSA-N 503.552 1.268 0 50 KDAA biogenic COc1ccc2cc([C@H](C)C(=O)N[C@H]3CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]4C[C@@H](NC(=O)c5cn(C)cn5)CN4C3=O)ccc2c1 1857688917 JOHAHULSDQQWLQ-HFQOMHSPSA-N 689.770 1.219 0 50 KDAA CCn1c(COc2ccc(C)cc2)nnc1S[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O 249680979 BAGALEQQJQOATL-MASZLTEFSA-N 578.644 1.934 0 50 KDAA Cc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C2)sc1C 952862776 DMUGFHOKTVSLRW-XIIJWGSISA-N 684.819 1.835 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3nc(N)nc4c3CCCC4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316967 FBIYJIHERWTFBT-OZBXUNDUSA-N 678.835 1.306 0 50 KDAA Cc1cc(C)n(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)n1 1704317264 GSCJXGAEBILRRK-BDOKBDPLSA-N 696.809 1.265 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cn3cc(Cl)ccc3n2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704321279 GXIVPQNOODJOKA-VHEWWINZSA-N 710.232 1.183 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1c(C)ncnc1C)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772701946 NVCJEYWXBIDNKQ-MLYIPFRESA-N 674.807 1.091 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)C2Cc3ccccc3C2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772706766 RIVRAWBXJWMEKZ-IZDARVJKSA-N 651.764 1.519 0 50 KDAA COc1cccc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC3=O)c1OCCn1ccnc1 1772713147 GEQWDFJCNAPNSM-XXXLRDAVSA-N 797.910 1.602 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](N)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772713381 IHSZIPWKQKUFQO-RTOPKKFASA-N 563.699 1.361 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccccc2)CCNC(=O)COc2cccc(c2)C1 1775979921 PLPIWFDQWMYPKR-GDLZYMKVSA-N 539.629 1.972 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857697021 RVMVNDYOXQHFGG-UAXWJAQVSA-N 630.750 1.251 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)CCC(F)(F)F)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952864966 UCQSZHTVNFDLSO-HWOONTJSSA-N 703.719 1.416 0 50 KDAA COCC(=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 1704323389 UNJPLIFERYCATD-OUIFVKKZSA-N 710.858 1.079 0 50 KDAA Cc1nc(C)c(C(=O)N2CCCCOc3cccc(c3)[C@H]3CN(C(=O)CN4C(=O)CN(C)C4=O)C[C@@H]3NC(=O)C2)s1 2100534061 RTXLYPBCRABRST-YADHBBJMSA-N 582.683 1.380 0 50 KDAA CN(C)S(=O)(=O)c1cc(NCc2ccc3nsnc3c2)cc(C(=O)N2CCC[C@H](C(N)=O)C2)c1 14740916 YAPZRAPFYQLGLT-HNNXBMFYSA-N 502.622 1.891 0 50 KDAA Cc1nn(C)c(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c1Cl 952863876 ZDDJAKGTQIEAJN-NRFANRHFSA-N 553.067 1.686 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(C(=O)CCC3CCCCC3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1616067661 QHKHVRWSSKELLZ-OFNKIYASSA-N 523.638 1.440 0 50 KDAA COc1ccccc1-c1noc(CCC(=O)N2CC(=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](Cc3ccccc3)C2)n1 1704317280 IDZOHOBNOAFQJC-YVCRGVQNSA-N 792.960 1.636 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)[C@@H]2CCC(=O)N2)CCCCNC(=O)[C@@H](C)NC1=O 1704317457 IVEXRAGEFVONOF-FQYQUSJJSA-N 646.789 1.581 0 50 KDAA COc1ccccc1OCC(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1772701810 ACEVFHXBDIGUDQ-JCGRVDTESA-N 715.804 1.760 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2nonc2C)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775977393 GJTPUNORQJFAPE-SBUREZEXSA-N 582.662 1.527 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cnn3cccc(C)c23)CCNC(=O)COc2cccc(c2)C1 1857698930 BAIYIVIICGERLF-HKBQPEDESA-N 593.681 1.929 0 50 KDAA C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)CCN1c1ccncc1 1875329289 ORLJGZDVYPHZMZ-LJQANCHMSA-N 522.009 1.667 0 50 KDAA CC/C=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(COC(N)=O)CS[C@H]12)c1csc(N)n1 3924558 WVPAABNYMHNFJG-QDVBXLKVSA-N 567.646 1.358 0 50 KDAA in-man CC(=O)OC[C@H]1O[C@@H](Sc2cnn(-c3ccccc3)c(=O)c2S[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 196073761 JKCJSQKIASUTKA-SFAJPICVSA-N 896.899 1.583 0 50 KDAA biogenic CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 145402469 TTZHDVOVKQGIBA-JCAQAIEDSA-N 529.458 1.657 0 50 KDAA in-vitro CO[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4C(=O)[C@@H](O)[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@]45O[C@@H]5C[C@H]3C2)O[C@H](C)[C@H]1O 257347174 WZCKFKUUQUMLRX-XXLFBQLPSA-N 562.656 1.421 0 50 KDAA CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@@H](c4ccc(OC)cc4)O[C@H]23)N(C)C1 257356367 HQUXWIVLQUDOFM-LCZKSAKQSA-N 524.680 1.913 0 50 KDAA C[C@@H]1NC(=O)CCCN(C(=O)c2ccccn2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1704321967 FRMIUROZUBWXSP-FDDCHVKYSA-N 504.591 1.537 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1nc(=O)n(C)[nH]1)CCCNC(=O)[C@H]1CN(C(=O)c3ccc4ncsc4c3)C[C@H]21 1875240078 HORYUCROTJUJKM-UXHICEINSA-N 605.677 1.624 0 50 KDAA CO[C@H]1C[C@@H](C)[C@H]2[C@H](C[C@@]3(C)[C@@H]4[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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 252694525 LSYMYCGGQIXKCY-ZYNBCJIQSA-N 726.901 1.052 0 50 KDAA biogenic COc1ccc2cc1O[C@@H]1CN[C@@H](C1)C(=O)NCCCCN(C(=O)CCc1ccccn1)CCCNC2=O 952858051 UEOUGTLTIIOPCI-GOTSBHOMSA-N 523.634 1.691 0 50 KDAA COc1ccc2cc1OCCN(C(=O)C1CCN(C(=O)N(C)C)CC1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704325194 ZRGHKUXZPDRREC-AREMUKBSSA-N 597.717 1.430 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cc(C)on1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772706808 RKWMLTLJLHIFJK-KCWPFWIISA-N 592.701 1.866 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccccc2)CCNC(=O)COc2cccc(c2)C1 1775979924 PLPIWFDQWMYPKR-LJAQVGFWSA-N 539.629 1.972 0 50 KDAA COCCC[C@@]1(C(=O)NCCN2CCN(C)C2=O)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857688944 SDMJCBFWMWWVPQ-YTTGMZPUSA-N 619.723 1.414 0 50 KDAA COc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(S(=O)(=O)N=c4nnn(C)[nH]4)c3)c2)cc1 1875350795 ANGKONVJPMFWSC-UHFFFAOYSA-N 557.614 1.803 0 50 KDAA Cc1cc(CC(=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)on1 952857682 UWQHTVZLPLJNDZ-FCTLNWHPSA-N 687.198 1.451 0 50 KDAA O=C1CN(C(=O)C2CCN(C(=O)[C@@H]3CCCO3)CC2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857690881 QKRMYMQBQHZKIP-NRFANRHFSA-N 521.014 1.215 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)c1c(-c3ccccc3)ccnc1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1857740603 LXPWTDHRCNPRTC-PIKZIKFNSA-N 573.650 1.612 0 50 KDAA CN1C(=O)CN(C(=O)C2CCN(S(=O)(=O)c3cc(Br)ccc3Br)CC2)CC1=O 1875322371 QKGQJTGBKFAYLX-UHFFFAOYSA-N 537.230 1.440 0 50 KDAA Cc1cc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)c(C)o1 952856028 CKCLZPRXCCLWRM-OPXMRZJTSA-N 567.687 1.574 0 50 KDAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(C(=O)c2cccnc2)CC(=O)N[C@H]1C 2356162025 ULUARJXITUYOMX-XKDCRVNJSA-N 512.563 1.426 0 50 KDAA Cc1cc(CC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)on1 952857494 IMDIXHGZGKTTSQ-FPOVZHCZSA-N 500.943 1.779 0 50 KDAA CCn1nc(CC(C)C)cc1C(=O)N[C@H]1Cc2ccc(cc2)OCC(=O)NCCN(C)C(=O)[C@H](CC(C)C)NC(=O)CCCNC1=O 1704324425 PVSVQOLHTSFMLR-NSOVKSMOSA-N 653.825 1.837 0 50 KDAA COc1ccc(CC(=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 1704335755 GCKMIQXIGMEHNI-AURLEMJNSA-N 733.892 1.859 0 50 KDAA Cn1nc(C(=O)N2CCCC(=O)NCCNc3ccnc(c3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC2)c2ccccc21 1857741016 YCBYQIYVDFDRLL-SANMLTNESA-N 596.692 1.890 0 50 KDAA Nc1nc(OCc2cc(Br)cs2)c2ncn(CCCCCCCCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2n1 100425739 WAAZBVOGWRQLMB-PUIBNRJISA-N 616.535 1.969 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2cn(C)c3ccccc23)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704328184 YSNQJNJKFCUVNU-MCWIXXLPSA-N 715.852 1.056 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccnc(C(C)C)n2)CCNC(=O)COc2cccc(c2)C1 1857697077 JGWZJADVIOIBSW-PMERELPUSA-N 583.686 1.886 0 50 KDAA Cc1cn2cccc(C(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)Cn4nc(-c5ccccc5)nc4[C@H](C)NC(=O)[C@H](CO)NC3=O)c2n1 1857707693 YNEXWIKHHDWOSA-FAQZDJIUSA-N 679.738 1.105 0 50 KDAA COc1ccc(CCN2C(=O)[C@@](NS(=O)(=O)c3ccc(N)cc3)(C(F)(F)F)N=C2O)cc1OC 2871752 QOTROLUONYZPIS-LJQANCHMSA-N 502.471 1.822 0 50 KDAA Cc1noc(C)c1CCC(=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 1704321348 JZVFPFSWERGMIU-LALIOYKGSA-N 608.740 1.430 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(Cc3ccc(C(N)=O)cc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322912 RSVFUMGXMHBKPA-KZNIJNHCSA-N 636.794 1.514 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)CN(C)Cc3ccncc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772701486 PPFVOFDOUGOQSI-IUEKTVKYSA-N 713.836 1.199 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccc(F)cc3F)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772705840 SFTUBPFATFBKLS-SUEFMADISA-N 721.758 1.625 0 50 KDAA COCCC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772714302 KCKHYCCAYJQZTP-DQEYMECFSA-N 523.586 1.909 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)c2cc3n(n2)CCN(C)C3=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc1n2 1857741628 IXAJLVDLEFYGPX-LADGPHEKSA-N 671.715 1.575 0 50 KDAA CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@H](O)COc1ccc(Br)cc1 5295239 ZYBBJYBOYDBORJ-AAEUAGOBSA-N 527.397 1.669 0 50 KDAA COC[C@@]12CC[C@H](OC)[C@]34[C@H]1[C@@H](OC)[C@H]([C@H]3N(C)C2)[C@@]1(OC(C)=O)[C@@H](O)[C@H](OC)[C@@]2(O)C[C@@H]4[C@H]1[C@H]2OC(=O)c1ccccc1 257354907 FIDOCHXHMJHKRW-IHWOXOPZSA-N 615.720 1.287 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952865128 PEGMXEFRHXHYRM-UYEZAFAQSA-N 698.821 1.932 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)C2CCOCC2)CCN(C)C(=O)[C@@H](C)NC1=O 1704322621 KLEMTHAGCNMMNO-SVAWTBLWSA-N 697.859 1.034 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)COc2cccc(c2)[C@H]2CN(Cc3ccccn3)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC2CC2)C1=O 1704328692 MWOLQYANVQIZGP-JHCMFPCLSA-N 668.795 1.390 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cccc(F)c2F)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704338054 KEHLQGZVUATJBY-NJULPGQKSA-N 751.832 1.570 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2cccc(-c3ncc[nH]3)c2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772706683 XCTVXQRNOFCXJV-KEPSJGTLSA-N 677.762 1.807 0 50 KDAA Cc1nsnc1C(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1772707036 VXYJQJZKSWZBDJ-MCEYFSPLSA-N 677.784 1.146 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)CCc2ccnn2C)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952864542 XCRUKIUWWMWJEZ-HJIQQCSTSA-N 697.841 1.635 0 50 KDAA Cc1cccc(OC(C)(C)C(=O)N2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)c1C 1616093852 ZDRJZOGOFIGBTQ-QPPBQGQZSA-N 575.670 1.554 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)CCc2cnccn2)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772713479 NBCLKHSFZVZUSI-JHOUAYSJSA-N 697.837 1.941 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c2cn(C)c3ccccc23)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857704261 KWQVVMPHOYPPKN-ZRKWFTTGSA-N 678.750 1.641 0 50 KDAA Cn1cc(CCNC(=O)c2cn(-c3ccc4c(c3)C(=O)N([C@@H]3CCC(=O)NC3=O)C4)nn2)c2ccccc21 2325898541 JKODHVCUJOIZRR-HSZRJFAPSA-N 511.542 1.493 0 50 KDAA CC(C)c1cc(C(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC3=O)no1 1772713831 TVHCWRFTPZBAKH-IZJLGPICSA-N 718.808 1.458 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)C2CCOCC2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775979048 YHOZXONMVILOIE-FNZWTVRRSA-N 584.718 1.948 0 50 KDAA C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(C)[C@H](O)C[C@]12C 255249399 NWPTUAQJIALPLJ-NCHDIWMLSA-N 801.024 1.120 0 50 KDAA O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(Cc3ccccc3Cn3cccn3)CCN2C(=O)[C@H](Cc2ccccc2)N1 952862661 CVBHILZSUSQIIJ-URLMMPGGSA-N 595.708 1.373 0 50 KDAA CCc1ccc(-c2cc(C(=O)N3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)n[nH]2)cc1 952863764 CYDBXFJJSXOWOV-LMSSTIIKSA-N 623.718 1.721 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cnc(C)cn2)CCNC(=O)COc2cccc(c2)C1 1775983672 QUHQFICICNRBJG-NDEPHWFRSA-N 555.632 1.071 0 50 KDAA COc1ccc(C2=NO[C@H](CO[C@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2)cc1 1857524909 IXGOAUDJFVQZQQ-NTJBLVCRSA-N 537.518 1.288 0 50 KDAA COc1ccc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(Cc4ccc(OC)c(OC)c4)nc3[C@@H](C)NC(=O)C(C)(C)NC2=O)c(OC)n1 1857699433 PNJZHXUEVCLKBF-AMGIVPHBSA-N 758.833 1.920 0 50 KDAA Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12 4534276 JLKJMNJZJBEYLQ-ISJGIBHGSA-N 665.748 1.401 0 50 KDAA CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccccc2-n2ccnc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952864567 JLZGYCATZNTTTD-CHJQSSBPSA-N 643.745 1.245 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)Cn2ncc3ccccc32)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714383 OFFUTHMMTALGBG-WTWMYVDVSA-N 665.751 1.153 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(Cc1cnc(-c3ccc(Cl)cc3)nc1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1857740350 FWQIWLQCJACLST-BCHFMIIMSA-N 581.073 1.712 0 50 KDAA CC(C)[C@@H](NC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1)c1nc(-c2nc[nH]n2)no1 1875353164 LODFARBENZMQMB-QGZVFWFLSA-N 502.495 1.164 0 50 KDAA CCC(CC)C(=O)NCc1cn(C[C@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)c2ccc3nn[nH]c3c2)nn1 2325843078 SXRVZRCJRFFMPY-NFBKMPQASA-N 521.626 1.898 0 50 KDAA CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)NC(=O)N[C@@H]1c1ccco1 138565546 TVFQIFYAOPTNTQ-GOSISDBHSA-N 531.465 1.991 0 50 KDAA COCCN1CC(=O)N[C@@H](C(=O)N2CCCCCCC2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O 952864823 MDGLGEKRVOEADI-LOSJGSFVSA-N 544.693 1.905 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)C2(c3ccccc3)CC2)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704321105 CDIFHOAGXZRNAK-LCSVJBMBSA-N 675.827 1.300 0 50 KDAA COCCC(=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 1704327266 BHFCTGJPDXXKLQ-FJWAISFTSA-N 615.772 1.399 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@H](CN2C(=O)[C@H](Cc2ccccc2)NC1=O)CN(S(=O)(=O)c1ccc2c(c1)OCCO2)C3 2100533004 UFERUVRJNAAXBB-PTMODEPLSA-N 610.733 1.712 0 50 KDAA Cc1cc(Cl)c(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1OCC(N)=O 39964273 RSUVSFXNIIGZNP-UHFFFAOYSA-N 517.029 1.249 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3ccc(Cl)c(F)c3)C[C@@H](CNC1=O)O2 1857707871 NSXNJSIGARZKSV-GGLXGSTNSA-N 630.117 1.535 0 50 KDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)C1CCN(C(=O)c2ccncc2)CC1 1857739809 TZHGPIZBSNUMDU-BJKOFHAPSA-N 533.629 1.931 0 50 KDAA COC[C@@H]1CCN(S(=O)(=O)c2cc3nc(N4CCC(CCN5CCCS5(=O)=O)CC4)ncc3s2)C1 2325823560 XLAOKXIYWHBZMR-GOSISDBHSA-N 543.737 1.990 0 50 KDAA CC(C)[C@H](NC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]2c3ccccc3C(=O)N12)C(=O)N[C@@H](C(=O)O)[C@@H](C)O 252550368 SMEKSEYFODSNDF-JYRWFCNUSA-N 518.570 1.729 0 50 KDAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@]23CCC45CC=CC4(C=CC5)CC[C@@]12[C@@H](C(=O)OC)C(=O)[C@@H]3C(=O)OC 257358309 SSECTZNMULKWOP-AFCSXLTGSA-N 528.554 1.748 0 50 KDAA COc1cc2c(cc1CN1C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C1)CCC2 952857811 VBSUMBRTJJIQSP-SQJMNOBHSA-N 545.644 1.250 0 50 KDAA O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(C(=O)[C@@H]3CCCN3C(=O)C3CCCCC3)CCN2C(=O)[C@H](Cc2ccccc2)N1 952862002 FBDRUKUQCDTBJD-HZFUHODCSA-N 632.766 1.026 0 50 KDAA Cc1nn(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C2)c(C)c1Cl 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CC(=O)OC[C@@H]1O[C@@H](Oc2ccc(C(=O)Cc3ccc(O)cc3)c(O)c2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253497405 QKPHMWUSYGCZRT-AJIIGFCHSA-N 574.535 1.985 0 50 KDAA CCOc1ccc(C(=O)N2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)cc1OCC 1615702856 HGYMWQPHZJOTNU-OFNKIYASSA-N 577.642 1.191 0 50 KDAA CC[C@H]1CN(C(=O)c2cccc3c2CCC3=O)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704321460 PRMSMVMTXYRTJL-TWCCAREUSA-N 617.747 1.929 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704321828 GMAXYGOYKFJCBV-XDEUOAMESA-N 667.829 1.801 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)Cn3ccccc3=O)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857713046 AXJHREXOGOOSJY-UNOIIGIYSA-N 712.764 1.659 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2c[nH]c(=O)cn2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533932 MBQVSVMAKWGFGD-OAQYLSRUSA-N 535.605 1.205 0 50 KDAA CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@H](O)[C@@H]1OC(C)=O 28875874 SXOZSDJHGMAEGZ-IGKKHSBFSA-N 516.455 1.925 0 50 KDAA biogenic,in-vitro 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[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]56C[C@@]46CC[C@]23C)C1 257373270 UBLUIAORQHLKTI-PBZMICDPSA-N 783.009 1.593 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1n1nc(-c2ccncc2)n(C(C)C)c1=S 334161035 RNSUCGKBHJJDII-YFZQLAKJSA-N 549.606 1.886 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)c2ccncc2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713065 BIWGXTSTSSJMBL-ZGOJTZKKSA-N 637.697 1.415 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CSc1nccn1C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714104 ASHNXVHBQHJHIO-YWEHKCAJSA-N 637.811 1.782 0 50 KDAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(C(=O)CNS(C)(=O)=O)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857699440 PSNWPZZDPMNYOE-QCDSWUKFSA-N 780.901 1.636 0 50 KDAA CNC(=O)[C@H]1CC(=O)N=C(c2cc(C3CCN(S(=O)(=O)c4ccc(F)cc4Br)CC3)no2)N1 2325871663 ULAHYDPBRLLWKZ-OAHLLOKOSA-N 542.387 1.526 0 50 KDAA C[C@@H]1NC(=O)CN(CC(=O)O)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356134788 CIZYZVHEVIKKBN-SFHVURJKSA-N 506.563 1.721 0 50 KDAA COc1ccc(-n2ccnc2CN2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)cc1 952857461 ZLDBOCBCPPFGGF-GHPJVDHGSA-N 631.778 1.918 0 50 KDAA CC(C)C[C@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952863440 JBDFPIZDTDYOJM-VIIUYDKCSA-N 654.168 1.768 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)Cc2ccccc2)C[C@@H](c2ccccc2)NC1=O 1704322201 KIFFXHXSSXIQSR-RLCLQLSTSA-N 664.763 1.604 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cccc4c3OCCO4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323418 VRCJZZYMAHPUKY-CSZVXOJQSA-N 665.788 1.826 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1ccccn1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704323989 KIZKQYCNGKRZIZ-XMMPIXPASA-N 520.590 1.746 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccncc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713902 WCCQJHLTUAEUFU-NAKRPHOHSA-N 588.713 1.965 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713938 WPFBXDZWGOUOFY-YHCYRGFVSA-N 752.829 1.132 0 50 KDAA C[C@@H]1[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[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[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C 253389445 LDCLXZSKVDYDBF-UMKLHWLFSA-N 810.975 1.237 0 50 KDAA biogenic,in-vitro O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(C(=O)c3csc4c3CCCC4)CCN2C(=O)[C@H](Cc2ccccc2)N1 952857160 PMGUHNNPJCIBBB-LOSJGSFVSA-N 589.722 1.709 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)CCOc2ccccc2)C[C@H](Cc2ccccc2)NC1=O 1704322093 GQUNHEJBFRNFFH-PCETYWTOSA-N 605.736 1.662 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)CCS(=O)(=O)c1ccccc1)CCCNC(=O)[C@@H](C)NC2=O 1704338531 UGKRLSJTZWQREE-JOCHJYFZSA-N 596.710 1.886 0 50 KDAA CNC(=O)CCN1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713253 IEMLRDCKTJPUDL-DQEYMECFSA-N 522.602 1.482 0 50 KDAA 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]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1O 1775966383 AYWNHWGQTMCQIV-JKHSGPHWSA-N 827.018 1.295 0 50 KDAA O=C1NCCN(C(=O)CCc2nc(O)n[nH]2)CCCOc2cccc(c2)[C@H]2CN(C(=O)c3cscn3)C[C@H]12 1875241526 TVHUTZPJYMRZLC-MOPGFXCFSA-N 539.618 1.183 0 50 KDAA CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc2c1CN([C@@H]1CCC(=O)NC1=O)C2=O 2325898872 AYSPWKCLTSTGOO-VQTJNVASSA-N 543.598 1.385 0 50 KDAA COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@@]23CCC45C=CCC4(CC=C5)CC[C@@]12[C@@H](C(=O)OC)C(=O)[C@H]3C(=O)OC 257358311 SSECTZNMULKWOP-NMSICAIVSA-N 528.554 1.748 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)C(C)(C)OC)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321382 LKRDQSRWJKIIOJ-AKAGGGOCSA-N 603.761 1.166 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccc4c(c3)OCC(=O)N4)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323537 QSSDVENASMNFGN-OZBXUNDUSA-N 678.787 1.386 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)[C@H]2CC[C@@H](O)CC2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704331086 KHLCNXCBZMIZRF-LFVNVQAYSA-N 764.950 1.984 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)CCCn2cnc3ccccc3c2=O)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772703544 GRGRYWVSSVYKGL-HGLPBTONSA-N 712.808 1.700 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714066 YGOHRKXGDJLRQU-VYKTZEHYSA-N 722.869 1.153 0 50 KDAA CCc1nc2ccccc2n1CCC(=O)N1C[C@H]2CNC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C1)O2 1857713079 CUAYWPGHRNFXRQ-XMABBMNZSA-N 673.815 1.431 0 50 KDAA O=C1CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857741642 OHRJPVCKMZXIPS-VWLOTQADSA-N 639.109 1.652 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1cc(F)cc(c1)O[C@@H]1CCN(C(=O)Cn3ccccc3=O)C[C@@H]1NC2=O 2356162935 UOELCNAPHRUJKZ-XZOQPEGZSA-N 564.570 1.483 0 50 KDAA C/C=C1/C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](CCCNC(=N)N)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 85600024 IXBQSRWSVIBXNC-HSKGSTCASA-N 824.977 1.183 0 50 KDAA in-vitro CC(=O)OCOC(=O)CN(CC(=O)OCOC(C)=O)Cc1c(OC(C)=O)ccc2c1Oc1c(ccc(OC(C)=O)c1CN(CC(=O)OCOC(C)=O)CC(=O)OCOC(C)=O)C21OC(=O)c2ccccc21 169289422 XKFSBWQWNMZWFA-UHFFFAOYSA-N 994.865 1.964 0 50 KDAA in-vitro COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc(-c4nnn(C)n4)cc3)C[C@@H]1NC2=O 1704321344 JVZSMAMPSNRLBN-OZXSUGGESA-N 583.605 1.596 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2ncoc2C(C)C)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322760 ODQIOYWBVFTWIH-APWUFGDNSA-N 628.796 1.865 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@@H](C(C)C)CN(C(=O)CO)CC(=O)N[C@@H](CC(C)C)c1nc(cs1)C(=O)N[C@H]2Cc1ccccc1 1704323472 PRPYDTZHTFZYDC-KMDXXIMOSA-N 638.795 1.936 0 50 KDAA Cc1cccc2ncc(C(=O)N3CCNC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c4cc(on4)C3)c(=O)n12 1772703366 DHZQSTBFDVCTJC-GDKKVTFASA-N 684.754 1.140 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2cnn[nH]2)CCCCNC(=O)[C@@H](C)NC1=O 1772713157 ATFILBLOVLCZST-VYCLJVNGSA-N 630.750 1.734 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1cnn(Cc3ccccc3)c1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713161 AZRJUNCRKSZPCF-ZHNVJZHNSA-N 724.867 1.929 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(C)=O)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775981908 KFTWVNFDMJESQF-SBUREZEXSA-N 514.627 1.541 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCc1nnc3ccccn13)C2 1857699790 YLCXDHBQHOEXIX-SSEXGKCCSA-N 577.686 1.378 0 50 KDAA O=C1NCCN(C(=O)Cn2cnnn2)CCCOc2cccc(c2)[C@H]2CN(C(=O)c3cc4ccccc4o3)C[C@H]12 1875242518 WKLAOVXTTVLLBX-PKTZIBPZSA-N 543.584 1.703 0 50 KDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2C[C@H](O)COc1ccc(I)cc1 677096 MSGDDDIFNUAXNO-HNNXBMFYSA-N 539.374 1.848 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3cccc(C)c3)n2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 248113097 YTBVPOCZQCDXAS-SKFMWMRISA-N 564.617 1.451 0 50 KDAA Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)CCCc1nc(-c3ccncc3)no1)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952856755 GCLGUIZMPBLUIQ-MNNSJKJDSA-N 645.721 1.504 0 50 KDAA CCc1ccc(S(=O)(=O)N2C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C2)s1 952858965 KKAIXBPIDFWNDU-WMZOPIPTSA-N 504.594 1.078 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)[C@@H](N)C(C)C)CCNC1=O 952862639 PXWHOEJYQPQNOF-GGAORHGYSA-N 531.633 1.125 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)COc2ccc(F)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772700288 BQSLQKRPXVKPET-QHWMMSMNSA-N 678.766 1.725 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3ccncc3)C[C@@H]1CC(=O)NCCN(C)C2=O 1704316490 RMFWHKRINCZQCW-GHTZIAJQSA-N 519.562 1.166 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCn3nc(C)c(C(C)=O)c3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323216 CDEKQJYUJBHEDU-UJLGHMMASA-N 695.862 1.847 0 50 KDAA O=C1CN(C(=O)Cn2ccnc2)CCCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccn4nccc4c3)C[C@@H]2N1 2100533049 XCLIENUEQNBGGE-FTJBHMTQSA-N 541.612 1.957 0 50 KDAA CC(=O)O[C@@H]1C(=O)[C@H]2[C@]34CO[C@@H](O)[C@@](C)([C@@H](OC(C)=O)C[C@@H]3O)[C@@H]4C[C@@H](O)[C@]2(C)[C@@]23O[C@H]2C[C@H](c2ccoc2)[C@@]13C 257489645 NAHTXVIXCMUDLF-WHZLXNJCSA-N 574.623 1.466 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2cnn(C)c2C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713355 DYXSREXWZKNHMF-HSRBSRBISA-N 728.851 1.403 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cc(C3CC3)[nH]n2)CCNC1=O 952865491 ZJBLZZLQVAQDDF-KJQJYJGISA-N 698.225 1.826 0 50 KDAA CN1CCN(C(=O)Cc2nc(-c3ccc(NC(=O)c4cccc(CN5CCS(=O)(=O)CC5)c4)cc3)n[nH]2)CC1 1875328447 RYEBMPSWOSGANR-UHFFFAOYSA-N 551.673 1.271 0 50 KDAA CC(=O)OC[C@H](O)[C@]1(C)C=C2CC[C@@H]3C(C)(C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@@H]2CC1 95912302 ITRHSIFUIWDEGO-CHUAXZJFSA-N 526.667 1.675 0 50 KDAA biogenic,in-vitro COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CO)C[C@@H]1OCc1cccc(c1)O2 952865993 VMNWIXCNIJJEJB-ZEQRLZLVSA-N 542.589 1.025 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCN3CCCCC3=O)C[C@@H]1NC2=O 1704322620 NDMZEEYXWXEYMV-DHLKQENFSA-N 550.612 1.495 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CN2CCOC2=O)CCCCNC(=O)[C@@H](C)NC1=O 1704339181 DCLNTZAQDSNTFE-OFQAEJFBSA-N 662.788 1.754 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cn3cccnc3n2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980798 AWDNERYQVKFQQO-FNZWTVRRSA-N 617.711 1.878 0 50 KDAA CO[C@@H]1O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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@]3(C)[C@H]2C[C@H]1C 253504300 BVIDWSOBXYNOCV-FLIYNTMYSA-N 726.901 1.052 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(C(=O)C3CCN(C(=O)c4cccc(Cl)c4)CC3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1615704139 BHIBJMJZTFOOAO-GJZUVCINSA-N 635.125 1.285 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3ncc[nH]3)C[C@@H]1NC(=O)CC2 1772817536 OJOTUEOIBGZUIH-URXFXBBRSA-N 505.575 1.808 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(C)=O)CCNC(=O)COc2cc(ccc2OC)C1 1857705118 TVGKOOAXKGVDEO-MHZLTWQESA-N 517.623 1.841 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@@H]2CCC(=O)N2)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857708169 IQIKYUNAIIKDOY-OZXSUGGESA-N 573.654 1.688 0 50 KDAA CC(=O)N1CCOc2ccc(S(=O)(=O)N3[C@H]4CC[C@@H]3CNC(=O)c3ccc(C)c(c3)OCCNC(=O)C4)cc21 1857708668 GBUBMPHKYBIWIB-LEWJYISDSA-N 556.641 1.591 0 50 KDAA O=C(NS(=O)(=O)c1cc(C(=O)N2CCn3nc(C(F)(F)F)cc3C2)co1)c1cnn2c1CCCC2 1875342383 OWCZSHUFJVHQIO-UHFFFAOYSA-N 512.470 1.802 0 50 KDAA O=C(CCN1C(=O)c2ccccc2C1=O)NCCCCCNC(=O)CCN1C(=O)c2ccccc2C1=O 19912845 YKAZLFLALCOKEN-UHFFFAOYSA-N 504.543 1.762 0 50 KDAA O=C(NC12C3[C@@H]4[C@H]1C1[C@@H]2[C@@H]3C4(Br)C12OCCO2)NC12C3[C@H]4[C@H]1C1[C@@H]2[C@H]3C4(Br)C12OCCO2 252428222 UYGAOXYUDPSWIF-ZPSYQFLGSA-N 566.246 1.047 0 50 KDAA CCN1C[C@]2(C)CC[C@H](OC)[C@@]34[C@H]2[C@H](OC(C)=O)[C@@]2(OCO[C@@]25C[C@H](OC)[C@H]2C[C@]3(O)[C@H]5[C@H]2OC)[C@H]14 252441082 DTTPWCNKTMQMTE-KHIMGDKWSA-N 507.624 1.350 0 50 KDAA CCN1C[C@@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@@H](OC)[C@@]34[C@H]2[C@H](OC)[C@@](O)([C@H]13)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC 253487678 NXAZXMKMGPWXII-YSAMCYRLSA-N 699.842 1.586 0 50 KDAA CCN1C[C@]2(C)CC[C@H](OC)[C@]34[C@H]1[C@]1(OCO[C@@]15C[C@H](OC)[C@H]1C[C@]3(O)[C@H]5[C@H]1OC)[C@@H](OC(C)=O)[C@H]42 257360758 DTTPWCNKTMQMTE-YKGPSEGTSA-N 507.624 1.350 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CCNC(=O)COc2cccc(c2)C1 1857702793 CRNLNNZIKKMABO-UMSFTDKQSA-N 637.778 1.724 0 50 KDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)C[C@H]1COc3ccc(C(=O)N(C)C)cc3N1C)CCCC(=O)NCCO2 1857706873 UQDUHHVGKDVACO-QFIPXVFZSA-N 565.671 1.832 0 50 KDAA CCc1nccn1CCC(=O)N1CCCNC(=O)[C@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CC1)c1ccccc13 1875241786 HHALOGDQXWMFKT-IKCVQBBRSA-N 504.635 1.911 0 50 KDAA CN1CCN(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)C1=O 952865804 XQRYUUJKZMRFPK-NSOVKSMOSA-N 607.708 1.606 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)C2(O)CCN(C)CC2)CCCCNC(=O)[C@@H](C)NC1=O 1704316333 MNGNNAFVMXAFJC-SATCGAIXSA-N 676.859 1.759 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3ccccc3-n3cnnc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323889 JGVOUSCBLKUPOD-OFVILXPXSA-N 575.670 1.593 0 50 KDAA CC[C@H]1CN(C(=O)Cc2ccsc2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704324844 VYRUPDMOUIYAFT-OCFYOKIWSA-N 583.755 1.791 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3cn[nH]c3)C[C@@H]1NC(=O)CC2 1772713923 WLXWZHDLXGCCQF-URXFXBBRSA-N 519.558 1.448 0 50 KDAA O=C1NCCN(C(=O)c2cc3c(nc2O)CCC3)CCCOc2cccc(c2)[C@H]2CN(C(=O)CCCn3cncn3)C[C@H]12 1875242469 UTRHPJPIMMGTGK-FTJBHMTQSA-N 587.681 1.931 0 50 KDAA C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(C)(C)O)[C@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 255269611 TUFDSEMWRYIOBO-SBBXLVFCSA-N 799.008 1.328 0 50 KDAA C[C@@H]1NC(=O)CCCN(C(=O)c2nnc3n2CCCC3)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1704317940 LBWGJFHLCVSGEL-PGRDOPGGSA-N 548.648 1.070 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCn3ccc(O)nc3=O)C[C@@H]2Oc2ccc(cc2)CN1 1772705941 WWBLTMGVBBKVQU-UIOOFZCWSA-N 603.632 1.225 0 50 KDAA Cc1c(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)[nH]c2c1C(=O)CCC2 1772713291 CHGHKZTWYOTBHL-QLCOJLISSA-N 682.778 1.573 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)C1CCN(C(=O)N(C)C)CC1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713661 OFHCJSAUTYJGRU-OFSOJUDTSA-N 665.840 1.650 0 50 KDAA CC[C@@H]1NC(=O)CN(C(=O)c2[nH]nnc2C)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775982006 LARQZBDSQGSLNV-LITSAYRRSA-N 709.812 1.657 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCO2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857707446 SPOMZTUKGLTNLW-BZACYDOXSA-N 631.734 1.678 0 50 KDAA COC(=O)[C@](O)(c1ccc2c(c1)CCN2[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O)C(F)(F)F 245255458 IJOAIKTXOURHMD-MYSWHGEBSA-N 605.515 1.055 0 50 KDAA 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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O 585672778 AYWNHWGQTMCQIV-HKEICIROSA-N 827.018 1.295 0 50 KDAA biogenic CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)CN(C(=O)C(c2ccccc2)c2ccccc2)CCNC1=O 1772713418 KZGOPEYMXCQFBW-HHPBIKOWSA-N 632.718 1.090 0 50 KDAA Cc1cccc(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)CCc4c[nH]c5ccccc45)C(=O)N3C2)n1 1857704239 JXCATFHDOPEUQD-DRBLOIPVSA-N 659.744 1.338 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)CCCn2cncn2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940195530 VPGIXTXJMWGKRA-XMMPIXPASA-N 550.664 1.880 0 50 KDAA C[C@H]1O[C@@H](O[C@H]2CC[C@@]3(C)[C@@H](CC[C@]4(C)[C@@H]3C=CC3=C5CC(C)(C)CC[C@]5(CO)[C@@H](O)C[C@]34C)[C@]2(C)CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 85643348 WRYJYFCCMSVEPQ-MNIDVGFKSA-N 780.993 1.681 0 50 KDAA biogenic,in-vitro CCOC(=O)C1CCN([C@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](N5CCC(C(=O)OCC)CC5)C4=O)cc3)C2=O)CC1 100764433 FRNQDCCUPUQVLG-PSWAGMNNSA-N 582.654 1.501 0 50 KDAA 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)c(O)n1 952857070 WMGLBXZFKVYKAE-RZLJKOCPSA-N 699.209 1.634 0 50 KDAA COc1cc(C(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)ccn1 1772702732 CZQFZDINOISNMR-IRPSRAIASA-N 618.739 1.973 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(c1cc[nH]c(=N)n1)CCNC2=O 1875242645 WIXCUGREPWXBBN-GOSISDBHSA-N 557.615 1.662 0 50 KDAA COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](NC(C)=O)c2ccccc2)C1=O 1875322240 MZJGKJNAHKWAQD-XUVXKRRUSA-N 512.588 1.625 0 50 KDAA COc1cc2ccc1CNC(=O)COc1cc(ccc1C)C(=O)N[C@H]1CN(C(=O)c3ccnnc3)CC[C@H]1O2 2356161315 PIVXXUWACJEOAP-XZOQPEGZSA-N 531.569 1.894 0 50 KDAA C[C@@H](NC(=O)OC(C)(C)C)C(=O)OC[C@@H]1O[C@@H](Oc2ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc3c2)[C@H](O)[C@@H](O)[C@@H]1O 229917371 IQPQUCSPCDSVLE-ZQEUQIAXSA-N 629.615 1.874 0 50 KDAA biogenic CN(C)CC(=O)N1CCC2(CC1)Cc1cccc(c1)Oc1ccc(cc1)C[C@@H](C(=O)O)NC(=O)CCNC2=O 952855954 VYUCAWQFIOLZFD-DEOSSOPVSA-N 536.629 1.824 0 50 KDAA COC(=O)[C@@H](O)[C@H]1[C@@]2(C)[C@H]3CC[C@]4(C)C(=CC(=O)O[C@H]4c4ccoc4)[C@@]34OC(=O)[C@]3(O)[C@@H]4[C@@]2(O)C[C@]13C 1772820144 HHKXOKUGOZKYPR-LPXOYUKISA-N 514.527 1.188 0 50 KDAA CC[C@]1(c2ccc(NC(=O)COc3cccc4c3C(=O)N([C@H]3CCC(=O)NC3=O)C4=O)cc2)CCC(=O)NC1=O 2325899083 MOFQSZUZPOZUEK-XDBZFTIUSA-N 546.536 1.190 0 50 KDAA CC(C)(C)OC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)OC(C)(C)C)CCN(CC(=O)OC(C)(C)C)CC1 71788591 RVUXZXMKYMSWOM-UHFFFAOYSA-N 572.744 1.318 0 50 KDAA in-vitro CCCCN1[C@H]2OC([C@H]3O[C@H]4[C@@H](O3)N(CCCC)S(=O)(=O)N4CCCC)O[C@@H]2N(CCCC)S1(=O)=O 245236324 RHDVHUPVZSQBQH-UERWRGBPSA-N 554.732 1.962 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(C(=O)Cc3c(Cl)cccc3Cl)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1615711348 SLZNZMTZTMECIZ-ZHRRBRCNSA-N 572.453 1.629 0 50 KDAA CCCn1cc(S(=O)(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)cn1 1704321462 PUBRFUYGUWHKSJ-DHLKQENFSA-N 569.640 1.561 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1cccnc1)CCCNC(=O)[C@@H](C)NC2=O 1704325179 YSTXBPFLOJSOKH-LJQANCHMSA-N 505.579 1.731 0 50 KDAA COc1ccc(C2=NO[C@@H](CO[C@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)C2)cc1 1857524910 IXGOAUDJFVQZQQ-YZMREBHCSA-N 537.518 1.288 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1nonc1C)CCCCNC2=O 1857706874 URBSIAGWYLLQIR-QLQSRUBLSA-N 723.784 1.476 0 50 KDAA COc1cc([C@@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc2c1OCCO2 409413457 FBFJWBVNTUANHB-IMFGXOCKSA-N 549.580 1.914 0 50 KDAA biogenic CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(Cc2cncn2C(C)C)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952855924 SDNKHYJMXTZGGP-MPZGHSIBSA-N 655.841 1.700 0 50 KDAA Cc1cccn2c(CC(=O)N3C[C@H]4NC(=O)[C@H](Cc5ccccc5)NC(=O)CN(CCC(C)C)C(=O)[C@H](CO)NC(=O)COc5cccc(c5)[C@@H]4C3)cnc12 952858036 ZUTVOHXICBVQDI-KMSCUOMXSA-N 751.885 1.768 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)CCC2(C)CC2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952865614 SWMXKRVNZPUKFI-AANQFLQQSA-N 549.676 1.499 0 50 KDAA O=C(O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccccc1 97945828 ISVOBOLHCFBPFZ-UHFFFAOYSA-N 575.652 1.520 0 50 KDAA in-vitro C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccccc3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772706294 PLJHLUPWNQOPFG-BYPJOIAZSA-N 685.778 1.347 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)c2cccnc2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772714274 IUHCGSRYXSZXAY-ZGOJTZKKSA-N 637.697 1.415 0 50 KDAA CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCCCCCNS(=O)(=O)c4cccc5c(N(C)C)cccc45)ncnc32)[C@H](O)[C@@H]1O 49785513 CJDPJPUVKHWZHU-YRIIQKNPSA-N 640.767 1.752 0 50 KDAA in-vitro C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 253487068 DHQFYEJMFMYGCV-NXJAXDQZSA-N 591.786 1.711 0 50 KDAA 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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O 936069006 AYWNHWGQTMCQIV-TYBZQMLOSA-N 827.018 1.295 0 50 KDAA biogenic COc1cccc2c1OCCCN(C(=O)[C@@H]1Cc3ccc(cc3)OCC(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N1)C2 952856536 LRIQTBNIVCRWDN-TXMFPYTGSA-N 663.772 1.563 0 50 KDAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)Cn1c(=O)oc3ccccc31)CCCNC(=O)CC2 952865831 WQWINJZECKTYOO-QFIPXVFZSA-N 623.707 1.707 0 50 KDAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(C)=O)CCCNC1=O 1704324287 MYVQGZBQBVABAE-QFIPXVFZSA-N 502.641 1.776 0 50 KDAA Cc1cc(C)n2nc(C(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)C4(CC4)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](C)NC3=O)cc2n1 1772713826 SWYPFBHSBCVEKD-MXSCXNJPSA-N 680.766 1.077 0 50 KDAA C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(CO)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O 1848443787 KISYRRMFQYIIFQ-PFQRQQOOSA-N 536.662 1.573 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccns2)CCNC(=O)COc2cccc(c2)C1 1857698176 GVTTYMLYMQBSEY-AREMUKBSSA-N 546.646 1.429 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@H]1CN(C(=O)c3cc4c(nc3OC)CCC4)C[C@H]1CC(=O)NCCN(C)C2=O 1616117532 CLBJBEQRWGAAGV-DVECYGJZSA-N 589.653 1.663 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(CC(C)(C)CN3CCOCC3)C[C@@H]1NC2=O 1704322900 LTPDFGZAFRUJBJ-IGKIAQTJSA-N 552.672 1.924 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ccccn3)CC2)Oc2ccc(cc2)OCCNC1=O 1772707402 SIBMYFAFCQKGBI-MOMDTQCHSA-N 656.740 1.381 0 50 KDAA COc1cc2c(cc1CN1CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C1)CCC2 952864189 YPMUNSCALBRDOS-WUFINQPMSA-N 585.709 1.626 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772816779 AODFJIMVUYELLW-CYFREDJKSA-N 664.745 1.561 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccccn2)CCNC(=O)COc2cccc(c2)C1 1775980170 TYIOFFBUMGAQPI-MUUNZHRXSA-N 540.617 1.367 0 50 KDAA 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]6CC[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[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 1857526204 YFGQJKBUXPKSAW-BQWLKIPTSA-N 969.128 1.642 0 50 KDAA COc1nc2c(cc1C(=O)N[C@H]1Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@H](CO)NC1=O)CCC2 1857704653 AONCBGPFRNAAST-IZKCBNJNSA-N 696.765 1.042 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1cc3c(nc1OC)CCC3)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740185 BYSXSGDMCLBOKT-MUAVYFROSA-N 730.819 1.599 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1onc3ncccc13)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740287 LZFJZAUBCYJHSR-SQJMNOBHSA-N 701.737 1.243 0 50 KDAA Cn1cc(C(=O)N(CCCC[S@@](C)=O)[C@H](C(=O)NCC2CC2)c2cn3ccccc3n2)n(C)c1=O 2325839031 HAIMREHLOIQIBM-AAKBJARWSA-N 500.625 1.240 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(c3cc(N)ncn3)C[C@@H]1NC2=O 2356162657 NZSCBHHIYLOYKN-VQTJNVASSA-N 504.547 1.532 0 50 KDAA C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4C[C@H]31)[C@]2(C)O 253527823 DHQFYEJMFMYGCV-LAXCOSGMSA-N 591.786 1.711 0 50 KDAA biogenic,in-vitro CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC(C)C)NC1=O 257373283 UMKHUVRCCMAOBN-GLHZCIEFSA-N 612.728 1.125 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)[C@@H](OC)c1ccccc1)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952869676 YGGGMLXRZLHEBR-AQADHKRESA-N 727.819 1.461 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CCc2nc3ccccc3s2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704327218 PLXPSFFJOFGDAF-INJHZYCUSA-N 691.855 1.455 0 50 KDAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)C4(CC4)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](C)NC3=O)CC2)c1 1772714145 BYQVGDVTWWYWJO-KNLGHYOJSA-N 782.895 1.673 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(Cc1cnc(N(C)C)nc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952857483 ZPTOYTGHPWFYTC-HAFIXEQPSA-N 708.865 1.534 0 50 KDAA Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CCCNC(=O)CN(C)C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC3=O)cc2)n1 1704321661 FIWODNGJQGRNKG-CLKFXOROSA-N 714.868 1.388 0 50 KDAA CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nccn4C)cn3C)cn2C)cn1C 4243202 HJTFBSLLPXIUSQ-UHFFFAOYSA-N 576.662 1.874 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@@]4(C)O 257520560 QFIYSPKZWOALMZ-FAPSMDMGSA-N 857.815 1.750 0 50 KDAA biogenic CC(C)C[C@@H]1NC(=O)CN(C(=O)c2scc3c2OCCO3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O 952857484 ZTVIXMVGTIQDNE-BVSLBCMMSA-N 613.737 1.197 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2cc3cc(F)ccc3[nH]2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704318051 NUXUKEOEIXQCLZ-CANOJOKDSA-N 663.751 1.147 0 50 KDAA COC(C)(C)C(=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 1704323892 JKHWXKXIKSJPOJ-WDDWZANVSA-N 738.912 1.858 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)Oc2ccc(cc2)OCCNC1=O 1772704464 RLEASRHSMSHNCI-QRQMUESOSA-N 713.788 1.644 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](Oc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857524762 NOKCKQRHADLYOG-UGPSEWTQSA-N 565.572 1.398 0 50 KDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(F)cc1)CCCC(=O)NCCO2 1857705203 XPHPDQPKEWNVFB-XMMPIXPASA-N 553.635 1.372 0 50 KDAA CN1C(=O)/C(=c2\sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)c2ccccc21 1065549 SVXIMYXNJTVBOR-PGXSHFROSA-N 536.617 1.965 0 50 KDAA O=CC(=O)c1ccc(-n2cc(COCCOCCOCCOCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn2)cc1 103621620 KYCJOMMRJCOZMY-YIOBJHAYSA-N 632.740 1.057 0 50 KDAA CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)C1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)CC1)C(=O)NCC(N)=O 150413492 XEAWOUKSJONZAU-OCBJUFRSSA-N 676.815 1.886 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CCN(Cc3cccnc3)CC2)CNC1=O 952869615 WSLDRUAYRCBWFD-JPBZRQQJSA-N 636.794 1.268 0 50 KDAA Cc1ccc(CCC(=O)N2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)c(C)c1 1616094332 UJKVKFOMVNNNQX-RDGATRHJSA-N 545.644 1.329 0 50 KDAA COCCC(=O)N[C@H]1CCCNC(=O)COc2cc(ccc2OC)CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O 1704324229 ZCLKBKQQJAKDIZ-KWHBQZNLSA-N 667.804 1.422 0 50 KDAA COc1ccc(C(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(c(OC)c4)O[C@H]3C2)c(OC)n1 2356162061 VWNNRGAWEQTPEM-CPJSRVTESA-N 592.605 1.827 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(C)C)NC1=O 26263996 UMKHUVRCCMAOBN-CLVXWKCZSA-N 612.728 1.125 0 50 KDAA biogenic C[C@H](O)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)CC1)C(=O)O 252694991 SSMKLDJJCIRAMZ-MQBSTWLZSA-N 505.612 1.995 0 50 KDAA biogenic COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(Cc3c(C)nn(CCO)c3C)C[C@@H]1NC2=O 1704333032 VNTKBBJUEWZSBQ-IGKIAQTJSA-N 549.628 1.571 0 50 KDAA COc1ccccc1CC(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1772703110 BRBNPKPNDVKNBL-WTWMYVDVSA-N 655.752 1.355 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cc3c(nc2O)CCCC3)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772704847 UCYVAUZPDSFQJL-SXDGJLEOSA-N 701.829 1.800 0 50 KDAA Cc1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)c2c(C)nn(C)c2n1 1772714314 KWGLSEKRPQEKJT-GDKKVTFASA-N 685.786 1.722 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccns2)CCNC(=O)COc2cccc(c2)C1 1857698177 GVTTYMLYMQBSEY-SANMLTNESA-N 546.646 1.429 0 50 KDAA C[C@@H]1C(=O)Nc2cc(C(=O)N3CCOC[C@@H]3c3cn(CC(=O)NCc4ccccc4)nn3)ccc2N1C 2325851195 RKDUMMLTQMVIPW-UZUQRXQVSA-N 503.563 1.585 0 50 KDAA CC1(C)O[C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 229930083 GECFLNOUXIAXFR-NSOKGPEJSA-N 568.630 1.395 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)CCC(=O)c2ccc(F)cc2)C[C@H](Cc2ccccc2)NC1=O 1704324862 WLGDUZPATJUWRZ-YPAMBENBSA-N 635.737 1.995 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)Cn2cccn2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704327335 RRFXILLWPSBMGF-MXSCXNJPSA-N 746.895 1.329 0 50 KDAA Cc1ccc(-c2cc(C(=O)N3CCNC(=O)[C@H](C(C)C)NC(=O)c4cc(ccn4)NCCNC(=O)C3)n[nH]2)s1 1857741596 ZYUZKCFPKQTAIC-QHCPKHFHSA-N 552.661 1.396 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1ccc3ncnn3c1)CCCNC2=O 2356133940 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COC(=O)[C@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@@H](C(=O)OC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)CC[C@@]5(C)[C@@H]4[C@H](O)C[C@@]23C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257350131 UYXUPMIOZXMSKD-NAZLHDSSSA-N 983.023 1.973 0 50 KDAA Cc1nc(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)cs1 952862411 JMCUCXGMVIUTCA-IGKWTDBASA-N 584.743 1.058 0 50 KDAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)CN3C(=O)CNC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)C1 1615710221 IZZWTOXHZKGUOB-RPBOFIJWSA-N 609.680 1.494 0 50 KDAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)Cn3cc(C)c(O)nc3=O)CC(=O)N1CC2 1704319386 VUZDMGMROOZUAT-NDEPHWFRSA-N 578.622 1.686 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(S(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)CCNC(=O)COc2cc(ccc2OC)C1 1775979797 MUDGZGAKUXTTDZ-XIFFEERXSA-N 737.898 1.902 0 50 KDAA CC(C)=CCC[C@@](C)(O)[C@@H]1C(=O)C[C@@]2(C)[C@H]1CC[C@@H]1[C@]2(C)CC[C@@H]2C(C)(C)[C@@H](O[C@H]3O[C@@H](CO)[C@H](O[C@H]4OC[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)CC[C@]21CO 2084072810 LKCTWIIDXXXXAR-NOPCSFCISA-N 768.982 1.969 0 50 KDAA O=C1NCCN(C(=O)c2ccc3ncsc3c2)CCCOc2cccc(c2)[C@H]2CN(C(=O)CCn3cnnn3)C[C@H]12 2100533329 KLVQDBNEGNQEPE-PKTZIBPZSA-N 574.667 1.956 0 50 KDAA 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 5273908 RMRFSFXLFWWAJZ-SGNDLWITSA-N 507.543 1.213 0 50 KDAA CO[C@H]1C[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@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 79216652 KWBPKUMWVXUSCA-AXQDKOMKSA-N 696.831 1.079 0 50 KDAA biogenic,in-vitro COc1ccc2c(c1)c(C(=O)N1C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C1)c(C)n2C 952857798 XVWKNZIALSQDNT-REWPJTCUSA-N 531.573 1.714 0 50 KDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1 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COc1ccccc1-c1noc(CCC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC3=O)n1 1772700929 JYJKSHOCTXRXDT-YKTXNGGMSA-N 797.866 1.336 0 50 KDAA Cc1ocnc1C(=O)N1CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1 1772713866 USKPQYHJQKWJDC-MIZPHKNDSA-N 635.726 1.117 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@@H]2CCCN2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772816973 FGXQINZPCXMAIX-SKPFHBQLSA-N 593.710 1.982 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)c1cc3n(n1)CCNC3=O)CCCCNC2=O 1857704016 ZZSJNJLLPPNJQA-SSEXGKCCSA-N 675.743 1.859 0 50 KDAA O=C1CN(C(=O)c2ccc3c(c2)CCO3)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857740422 ILFFGBYKSRSUQO-VWLOTQADSA-N 574.638 1.233 0 50 KDAA COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@]2(O)CC(=O)Nc3ccc(Br)cc32)C1=O 2325851133 PYJUIJBVTQHNAX-VBKZILBWSA-N 508.350 1.749 0 50 KDAA Cc1c(NC(=O)CSCC(=O)NCC2=Nc3ccccc3S(=O)(=O)N2)c(=O)n(-c2ccccc2)n1C 2325853161 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Cn1cnc2cc(C(=O)N[C@H]3CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]4C[C@@H](NC(=O)C(C)(C)c5ccccc5)CN4C3=O)ccc21 1857713781 NPIZTTXNBRXXFZ-RBOWJBJUSA-N 673.771 1.385 0 50 KDAA Cc1cnc(C(=O)N2CCCOc3cccc4c3OC[C@@]3(CNC(=O)C2)CN(C(=O)c2cc(C)n(C)n2)C[C@@H]43)cn1 1875240522 WSERPGLUKBOZSP-KCWXNJEJSA-N 559.627 1.486 0 50 KDAA C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@@]54C)[C@@H]3CC[C@H]1[C@]2(C)O 253487065 DHQFYEJMFMYGCV-DUZXIANGSA-N 591.786 1.711 0 50 KDAA O=C1N[C@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952864947 RWIDAAUJBXWKJJ-FPOVZHCZSA-N 511.970 1.766 0 50 KDAA CC(=O)NCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704319464 WABYWJGIIYSHER-LDVROUIZSA-N 634.778 1.438 0 50 KDAA O=C1CN(C(=O)[C@@H]2CC(=O)N(Cc3cccnc3)C2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857699447 PTBBABQVVVCGOX-GOSISDBHSA-N 513.982 1.241 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)CN(C(=O)c2ccccn2)CCCOc2cccc(c2)-c2nccn2CCCNC1=O 2100533760 ZCGZMPWHIWSHRM-DVECYGJZSA-N 520.590 1.242 0 50 KDAA C[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O 252346934 KISYRRMFQYIIFQ-LAAMDIEPSA-N 536.662 1.573 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(S(=O)(=O)c3ccc4oc(=O)n(C)c4c3)C[C@@H]1NC2=O 1704323255 FEJNBFIPOWVOSH-LVXARBLLSA-N 608.629 1.399 0 50 KDAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)c1cc(C)nc(C)n1)CCN(C(=O)CN1C(=O)CN(C)C1=O)CCC(=O)NC[C@H]1CCCN3C1 1857724915 RXNILACLOIUXBI-XMMPIXPASA-N 745.838 1.769 0 50 KDAA CCCn1c(CCC(=O)Nc2cccc(OCC(N)=O)c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 1875257628 CWIOIUTVLKYOSN-UHFFFAOYSA-N 529.619 1.903 0 50 KDAA Cc1ccccc1N1CCN(S(=O)(=O)C[C@@]23CC[C@@H](C[C@@H]2NC(=O)[C@@H](N)CCS(C)(=O)=O)C3(C)C)CC1 6199057 MWIASLNTAGRGGA-NTPMPWFXSA-N 554.779 1.520 0 50 KDAA biogenic,in-vivo CC[C@H]1CN(Cc2ccccn2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704340883 WPABRFCNBXLECO-KCQQGECQSA-N 550.704 1.555 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)Cc2cccs2)C[C@H]2OCC[C@H](NC1=O)[C@@H]2O 1704343732 MWVQCCCYDZNVIG-LKHPHCFMSA-N 706.866 1.498 0 50 KDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCCC(=O)NCCOc2ccc(F)cc2C(=O)N[C@@H](CCC(N)=O)C(=O)NCC1 1857706101 KGQUWSMBSATIHD-DEOSSOPVSA-N 636.681 1.629 0 50 KDAA COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952857694 LOGYVMDACITHAZ-SGGJORCASA-N 605.696 1.372 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)C2CC2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704322568 JCVUIQZWXYWSIA-NJTBCWBZSA-N 706.870 1.843 0 50 KDAA Cc1cc(CC(=O)N2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)on1 1772700647 BNMJIPFSSYVPQP-SGIRGMQISA-N 649.753 1.046 0 50 KDAA C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@H]1OC[C@@]31OC(C)=O 1772820288 YAOWLIDDDUBAEI-FNMVCAJHSA-N 921.990 1.281 0 50 KDAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccno2)CCCNC(=O)COc2ccc(cc2)C1 1775981165 PWQKGKLWXPIGKT-NDEPHWFRSA-N 558.632 1.741 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)Cc2c(C)nc(C)nc2O)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775981728 DIVCXVOVBLIYGY-VKGTZQKMSA-N 636.754 1.877 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1800430510 PERPGVQJZLSIIG-WXWREJFYSA-N 715.808 1.657 0 50 KDAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)[C@@H]1CC(=O)Nc3c(OC)cccc31)CCCNC2=O 1857672430 CNOQFYHHMRIRFK-LJQANCHMSA-N 510.547 1.287 0 50 KDAA COC(=O)c1ccc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3ccc(C(=O)OC)cc3)CC2)cc1 19782353 AFZYPTAGRSUKTR-FGZHOGPDSA-N 502.564 1.057 0 50 KDAA C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]43C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O)[C@H](O)[C@H]1O 253387890 JBGYSAVRIDZNKA-NKECSCAMSA-N 801.024 1.359 0 50 KDAA biogenic,in-vitro C[C@@H]1CCCCCCCCCCCCCC[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)O[C@H](C)[C@H](C)[C@@H]1O 253487391 JQOLDMSUMCLTRF-WIULMKAMSA-N 942.235 1.706 0 50 KDAA biogenic CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@]1(O)CC[C@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@H](C3=CC(=O)OC3)CC[C@@]12O 257357075 LWEDMLOAXCZSBB-CFTBHUKOSA-N 606.665 1.916 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)Cn2cccnc2=O)CCCCNC(=O)[C@@H](C)NC1=O 1704317108 GBORFLOXZXXDFY-TZFWCWEWSA-N 671.799 1.559 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)Cn1cnc3ccccc3c1=O)CCCNC(=O)[C@@H](C)NC2=O 1704321399 MTEOAIAUPNCIEX-OAQYLSRUSA-N 586.653 1.433 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)CC2CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772702306 VLJSFYVSUWSPLP-JHFJJOSTSA-N 688.826 1.847 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)c2cnc3ccccn23)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713454 KBMUWUQYSRRYJA-JBRSBNLGSA-N 706.830 1.016 0 50 KDAA CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@]1(O)CC[C@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@H](C(=O)O)CC[C@@]12O 257348607 HIWAUMHEHZRTHX-ATBMPOFTSA-N 568.616 1.518 0 50 KDAA COc1ccc([C@@H](CC(=O)NC2CCN(CC(N)=O)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263586811 YEIWCFPXBQSECZ-QGZVFWFLSA-N 503.552 1.268 0 50 KDAA biogenic COCCN1CC(=O)N[C@H]2CN(CC(=O)N3CCOCC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952867477 NNHFGSVZXRJAHG-WNJJXGMVSA-N 610.708 1.453 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccoc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704319935 ZADRLZHXEHLQSR-SVAWTBLWSA-N 665.817 1.874 0 50 KDAA COC(=O)c1cccc(CN2C[C@@H]3c4cccc(c4)OCCN(C(=O)CCNS(C)(=O)=O)CCCNC(=O)[C@H]3C2)c1 1875240004 CYQFSCXHUSJNIO-FTJBHMTQSA-N 586.711 1.355 0 50 KDAA COCCN1CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCCCN(C(=O)COc3cccc(Cl)c3)CCCC1=O)C2 1875242719 YRPYJTKRHHVUBF-NRFANRHFSA-N 603.120 1.343 0 50 KDAA NC(=O)CN1CCN(C(=O)[C@@H]2Cc3ccccc3CN2S(=O)(=O)c2c(Cl)cccc2Cl)CC1=O 1875322428 SLCZHRXDTASLES-SFHVURJKSA-N 525.414 1.265 0 50 KDAA 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]6CC[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[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2080911059 YFGQJKBUXPKSAW-PBLWAZJLSA-N 969.128 1.642 0 50 KDAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c1 2325843989 VJHQZTVLJNFUHB-RPWUZVMVSA-N 510.660 1.842 0 50 KDAA CCCCN(CCCC)CCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc21 9963108 DVRXFUVDTMVGLY-UHFFFAOYSA-N 510.657 1.451 0 50 KDAA COc1ccc([C@@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263585835 NCQPUBLBVNVUNF-QGZVFWFLSA-N 524.592 1.742 0 50 KDAA biogenic COc1cc(C)c(CN2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)cc1C 1615702601 GOFILPKJIOHBKX-QPPBQGQZSA-N 533.633 1.379 0 50 KDAA 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)C3CC3)C[C@H]2C(=O)N1 1704316723 BVMIGAXTORHGIS-WCBOWUMYSA-N 597.757 1.772 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2(c3ccc(Cl)cc3)CCC2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704321140 DZKNNDIZTZYUSC-FNWWCKPFSA-N 695.261 1.988 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cn3nc(C)cc3C)C[C@@H]1NC2=O 1704322431 HWTIAPIEVJQCTP-DHLKQENFSA-N 533.585 1.606 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3nnc4nc(C)ccn34)C[C@@H]1NC(=O)CC2 1772817743 QVHOLABLWASKPO-DHLKQENFSA-N 585.621 1.471 0 50 KDAA COCCc1noc(CCNC(=O)[C@@H]2Cc3cc(NC(C)=O)ccc3N3C[C@H]4C[C@H](c5cccc(=O)n5C4)[C@H]23)n1 1848443394 NZSBRJYIGRLQED-GMDVJGGNSA-N 546.628 1.902 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)Cc2cc[nH]n2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533552 UTPDYXZDLXBQPS-HSZRJFAPSA-N 521.622 1.774 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)Cn1nc(C)cc1C)CCCNC2=O 2356135582 KWTCOGZCKMUAAC-MHZLTWQESA-N 580.690 1.963 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ccoc3C)CN2C(=O)[C@H](C(C)C)NC1=O 952862194 MQUKADVJKAXDOY-BNOTWRJDSA-N 668.817 1.432 0 50 KDAA C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@H](O)C[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 1775966468 GHUUTEXYFBCKSM-LDQREQPMSA-N 738.912 1.361 0 50 KDAA OCCN(CCO)c1nc(N2CCCCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCCCC3)c2n1 28710624 KXOCTHJHIGLQKJ-UHFFFAOYSA-N 560.744 1.543 0 50 KDAA in-vitro O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1 59829378 OBYOXBUTCLVLMG-UHFFFAOYSA-N 562.648 1.915 0 50 KDAA Cc1cnc(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)cn1 1704317902 KJNXBMWTHKDUCC-MXSCXNJPSA-N 758.906 1.845 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc(OC)nc2OC)CCNC(=O)COc2cccc(c2)C1 1857702823 PXUBVGWXXXKHTF-PMERELPUSA-N 600.669 1.385 0 50 KDAA O=C(CN1CCOCCOCCN(CC(=O)NCCCC(=O)OCc2ccccc2)CCOCCOCC1)NCCCC(=O)OCc1ccccc1 4577554 DAIJGQBPXQGZOH-UHFFFAOYSA-N 728.884 1.950 0 50 KDAA CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 97972774 HWXKKVLJPWMVLL-FGGUPADCSA-N 725.674 1.601 0 50 KDAA in-vitro 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 100686812 RMRFSFXLFWWAJZ-WXFUMESZSA-N 507.543 1.213 0 50 KDAA CC(=O)NCCCC(=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 1704324756 RHEAYZOMOHDJRX-WTWMYVDVSA-N 765.938 1.349 0 50 KDAA CNC(=O)c1ccc2oc(C(=O)N[C@H]3CCCN(CC(=O)Nc4ccc(S(N)(=O)=O)cc4)C3)cc2c1 2325899798 XTOICDDKHMYGMZ-SFHVURJKSA-N 513.576 1.273 0 50 KDAA COc1cc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OCc2ccccc2)cc(OC)c1OC 9974822 FLOAHUVLQGNUGR-KRWDZBQOSA-N 501.561 1.661 0 50 KDAA CC1(C)O[C@@H]2O[C@H](C(=O)NCC(=O)Nc3ccc(S(=O)(=O)Nc4ccccn4)cc3)[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2O1 229930118 NEZKPXFSPBYPFW-KPUUQYQLSA-N 562.601 1.334 0 50 KDAA Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cn3nn2)c(C)o1 952861521 CEYQPIKPHBGVMJ-VHXCZSFDSA-N 561.643 1.442 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)CCc3cc(Cl)no3)C[C@@H]1NC2=O 952863628 XZPHEIUVEQSODP-PXNSSMCTSA-N 516.942 1.479 0 50 KDAA CCCC[C@@H]1NC(=O)c2ccc(C)c(c2)OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCNC1=O 1704321934 DWHCGBQQPWXSLV-LYIXOJIKSA-N 704.829 1.073 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2nc3ncccn3n2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775980440 XORDJAKPUOVOBN-CYFREDJKSA-N 618.699 1.273 0 50 KDAA COc1ccc2cc1OCCCNC(=O)[C@H](C(C)C)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1857708230 WQAAPODMUYWCEK-OFVILXPXSA-N 524.618 1.582 0 50 KDAA CC(C)c1cc(C(=O)N2CCCCN(C)C(=O)[C@H](C)NC(=O)COc3cc(O)cc(c3)C(=O)NCCC2)on1 952864352 UYZUQUYIYBMAMA-SFHVURJKSA-N 543.621 1.902 0 50 KDAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)CN2CCOCC2)CCNC(=O)COc2ccc(cc2OC)C1 1775983311 VPDARBUDYDTQSU-YTTGMZPUSA-N 618.772 1.789 0 50 KDAA O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)C1=NC2=NS(=O)(=O)c3ccccc3N2N1 2325871256 DTSJRNKUYVVCSE-UHFFFAOYSA-N 522.996 1.935 0 50 KDAA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@@H](O)COc1ccc(I)cc1 633342 FXRMKIZRHCWMNZ-SECBINFHSA-N 521.109 1.230 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccc3c(c2)OCC(=O)N3)CCNC1=O 952862445 NRZCGXDIZNEOEL-XMMPIXPASA-N 607.643 1.786 0 50 KDAA COc1ccc(C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccc(OC)c4OCc4cn(nn4)[C@@H]3C2)c(OC)n1 952864654 JRQXZWHGOZNHMA-LAUBAEHRSA-N 579.614 1.183 0 50 KDAA Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC1=O 1704319598 XZLUAOGTPNUDLQ-BAECYATFSA-N 687.798 1.490 0 50 KDAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)COC)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322640 KRZBJQUNGWETCE-QSTVZNNWSA-N 637.778 1.957 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(S(=O)(=O)c3cnc4ccccn34)CC2)Oc2ccc(cc2)OCCNC1=O 1772714561 XEOAMVUZFPVHOJ-QEMZJVQQSA-N 731.832 1.182 0 50 KDAA Cc1cc(C)n2nc(C)c(C(=O)N3CCCNC(=O)c4nn(C)c5c4C[C@@H](CC5)N(C)C(=O)CCC3)c2n1 1857725268 ZENSCXRFOFETNP-LJQANCHMSA-N 520.638 1.760 0 50 KDAA Cc1ncnc(C)c1C(=O)N1CCCNC(=O)[C@H]2CN(C(=O)C(C)(C)N3CCOCC3)C[C@@H]2c2cccc(c2)OCC1 1875242091 NCKDNDBDJUNUGI-FTJBHMTQSA-N 578.714 1.787 0 50 KDAA COCC[C@]1(C(=O)NCc2cccnc2)CNC(=O)CCCN(C(=O)c2cnccn2)CCCNC(=O)COc2ccc(cc2)C1 1875242262 PZFHBWYUJFYFGE-MGBGTMOVSA-N 631.734 1.691 0 50 KDAA CCN1CC(=O)N[C@H]2CN(S(=O)(=O)N(C)C)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952862804 LTSYQFOICJTXQL-ZEQRLZLVSA-N 530.647 1.766 0 50 KDAA CC[C@H]1CN(C(=O)c2cc[nH]c2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704321510 RHRBWCJYCPRNCV-DLTYFMDKSA-N 552.676 1.128 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)Cc3cccc(F)c3F)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713433 LXFGYUHXIRBJJT-VQODHXCYSA-N 735.785 1.554 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3ccc[nH]3)CCCC1=O)C2 1857724566 HWPDQFLHKONMBA-IBGZPJMESA-N 525.654 1.215 0 50 KDAA Cn1ccnc1CN1CCCOc2cccc3c2OC[C@@]2(CNC(=O)C1)CN(C(=O)Cc1cccnc1)C[C@@H]32 1875240571 DFSCIWGMSUPIDA-MUAVYFROSA-N 530.629 1.763 0 50 KDAA Cn1cncc1C(=O)N1CCCNC(=O)[C@H]2CN(C(=O)CCc3ccnn3C)C[C@@H]2c2cccc(c2)OCC1 2100534008 PHSYSNMQLSQPJX-RPWUZVMVSA-N 533.633 1.370 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)CCn1cncn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952862224 MXYXDTIFWHJUOQ-SANMLTNESA-N 615.695 1.280 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2nonc2C)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713521 KLGISLUJBQEPEP-AXTPWFNZSA-N 667.768 1.728 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)[C@H]1COCCN1C)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775976544 BGRAFLXWNVDVRP-AOYPEHQESA-N 605.692 1.944 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)CO)CCNC2=O 1875241619 UQLAYIPREOYMCC-RUZDIDTESA-N 550.616 1.410 0 50 KDAA CCOC(=O)C(C(=O)OCC)=C1OC(=O)c2cc3c(cc21)C(=O)OC3=C(C(=O)OCC)C(=O)OCC 9730951 MZQFFBVTDLZZAH-UHFFFAOYSA-N 502.428 1.702 0 50 KDAA CCn1c(S[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccccc1 249690751 KTNMCEHJGUQNFK-RBRWEJTLSA-N 534.591 1.713 0 50 KDAA COc1ccc([C@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)cc(C)oc2=O)c(OC)c1OC 263585834 NCQPUBLBVNVUNF-KRWDZBQOSA-N 524.592 1.742 0 50 KDAA biogenic COc1ccc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)c(OC)c1 1772713170 GMJZCRZSPYSZGF-PWUSVURUSA-N 671.751 1.435 0 50 KDAA CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](C2)C[C@H]2O[C@H]4C[C@H](C5=CC(=O)OC5)[C@]5(C)C(=O)[C@H](O)[C@@H]3[C@@H]2[C@]45O)O[C@@H](C)[C@H]1O 257347188 XYPIGUUTGMMFPH-LFCQEPDBSA-N 562.656 1.276 0 50 KDAA COCCN1CC(=O)N[C@H]2CN(CC(=O)NC3CC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952856018 BXFVJAKSJASYMT-LSYYVWMOSA-N 580.682 1.873 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N(C(C)=O)CC[C@H]2CC=C(CCn3cc(nn3)CNC1=O)C2(C)C 952861771 GUEVLYVBCBFIST-WNMFUDOWSA-N 591.779 1.001 0 50 KDAA COc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)c3cc(=O)n(C)c(=O)n3C)C[C@H]1NC(=O)CC2 1616118699 UYRSFYLQFDERQP-GGAORHGYSA-N 548.596 1.747 0 50 KDAA Cc1cc(C)n(CC(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]2C)n1 1704322280 LSQKNJVFCNCLMS-YENCJLLLSA-N 654.772 1.288 0 50 KDAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3cncn3C)CCCNC2=O)N(C(=O)Cn2c(=O)oc3ccccc32)C1 1704336596 YLBYDWSSDYMYSG-ZCYQVOJMSA-N 673.727 1.557 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)CCCn1cnc3ccccc3c1=O)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772707157 TTYDWEXBNJIAEQ-MTCZNSJKSA-N 754.893 1.561 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)Cc3c(C)nc(C)nc3O)C[C@@H]1NC(=O)CC2 1772713145 GEKXNGZROZAWMW-IGKIAQTJSA-N 589.649 1.766 0 50 KDAA Cc1cc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@H](CO)NC2=O)c2c(C)noc2n1 1857706868 UNRZZXKDEQBOTN-PUUVEUEGSA-N 695.737 1.302 0 50 KDAA CC(=O)c1c(C)nn(CCC(=O)N2CCCNC(=O)c3nn(C)c4c3C[C@@H](CC4)N(C)C(=O)CCC2)c1C 1857725884 RBIMEBVYIVYJRW-HXUWFJFHSA-N 525.654 1.584 0 50 KDAA O=C1NCCCN(C(=O)CCn2cnnn2)CCOc2cccc(c2)[C@H]2CN(C(=O)c3cnc4ccccc4n3)C[C@H]12 1875251656 USBMWRBPBUFCPJ-PKTZIBPZSA-N 569.626 1.290 0 50 KDAA CCCCn1c(SCC(=O)Nc2cc(OC)c(OC)cc2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C 10003447 YSHUVWXIEWPYDX-UHFFFAOYSA-N 519.580 1.768 0 50 KDAA CC(=O)O[C@H]([C@@H]1C[C@@H](C)C(=O)O1)[C@@H](C)[C@@H]1[C@@H]2[C@]3(O)O[C@@]4(CC[C@@]21C)[C@H](O)[C@]12OC(=O)C[C@H]1OC(C)(C)[C@@H]2CC[C@H]4C3=O 252587386 XVOAOTAZULSEBL-UAALQDDJSA-N 590.666 1.829 0 50 KDAA biogenic CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(CO2)[C@H]2[C@@H](OC(C)=O)[C@]3(O)C[C@@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]12C)C3(C)C 256764282 LUTPIRPNUNHFEV-NHXQHAHCSA-N 652.690 1.863 0 50 KDAA biogenic CC(C)(C)c1cc(CN2CCN3C(=O)[C@H](Cc4ccccc4)NC(=O)CCCn4cc(nn4)CNC(=O)[C@H]3C2)[nH]n1 952865244 OBXWIZWKJBGOSV-BJKOFHAPSA-N 561.691 1.149 0 50 KDAA CC[C@H]1CN(C(=O)CN2CCc3ccccc3C2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704316495 RQVJEYVAZKTGID-GKIXMTHWSA-N 632.806 1.545 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704321708 WIWFLFBWDJBKPH-BQUCCUTGSA-N 678.831 1.138 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)CCCN1CCCC1=O)CCCNC(=O)[C@@H](C)NC2=O 1704321913 ICPAINMSAJKBAI-OAQYLSRUSA-N 553.664 1.425 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2ccc(N(C)S(C)(=O)=O)cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714161 COBLOCBPYOIPLG-MWVDVNALSA-N 709.826 1.219 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)CN)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775982816 SNTZRUGFCXSZMI-OAQYLSRUSA-N 535.601 1.572 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)CCC(C)C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857739145 DMPYIIWWNPLZQH-JYFHCDHNSA-N 653.777 1.829 0 50 KDAA C[C@@H]1NC(=O)CN(C(=O)[C@H]2CCC(=O)N2)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356139463 YBUPZPNTROYQNK-WMZHIEFXSA-N 559.627 1.442 0 50 KDAA CCCCCCCC(=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 96014502 KQMZYOXOBSXMII-DVVHSBIUSA-N 893.740 1.025 0 50 KDAA CC1(C)CC[C@@]2(C(=O)O)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O 255280348 XFVGJHHHDVZQFB-FWVVSBQTSA-N 666.849 1.972 0 50 KDAA biogenic,in-vitro COCCOCC(=O)N[C@H]1CCCNC(=O)COc2cc(ccc2OC)CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc2ccccc2)NC1=O 1704316497 RWVLQLCJCQFLKB-NTBNWUQQSA-N 697.830 1.049 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cc1cccnc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704316567 VEVWEFQECIETRR-AREMUKBSSA-N 534.617 1.674 0 50 KDAA COc1ccc(Cl)cc1C(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC2=O 1772701374 KOAHYCMEOPBUTP-GSEMILKTSA-N 736.222 1.620 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2nnc3n2CCCCC3)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772817542 ONZCEWNPISUTOT-JBRSBNLGSA-N 689.822 1.138 0 50 KDAA CC(C)CCN1C(=O)CN(C(=O)c2ccncc2)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857739465 KYNOYSGJEQRXOG-OAQYLSRUSA-N 537.665 1.281 0 50 KDAA COCN1c2ccccc2S[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O 229791559 VKCGIKJXWXVQAJ-DXVXXHEXSA-N 541.575 1.819 0 50 KDAA CC(C)(C)OC(=O)N(CCOCCOCCOCCOCCC(=O)O)CCOCCOCCOCCOCCC(=O)O 606303063 FKLCISHEONZNFI-UHFFFAOYSA-N 613.698 1.306 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(n3c(O)nc4ccccc43)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952864042 XEGMDHOKBVFRRD-BEXBOKMPSA-N 687.798 1.662 0 50 KDAA Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c3csc4ccccc34)C(=O)N2C1 1857697820 NOLZLTGAGBAVBH-FBZFJNBBSA-N 731.836 1.422 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1ccccc1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857741215 JCYGCQJKAROLGE-WNCULLNHSA-N 659.740 1.707 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O 4245621 VJJPUSNTGOMMGY-OGFDTQLUSA-N 588.562 1.339 0 50 KDAA biogenic,in-vitro CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 248005112 GDZJPAKEKJDVRZ-SKFMWMRISA-N 564.617 1.451 0 50 KDAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@@]23CCCC/C=C\CCCC[C@@]12[C@@H](C(=O)OC)C(=O)[C@@H]3C(=O)OC 257355685 BYXGTOLZSAQYLZ-ZZXKPBQOSA-N 506.548 1.972 0 50 KDAA CC(C)(C)OC(=O)CCOCCOCCOCCOCCS(=O)(=O)CCOCCOCCOCCOCCC(=O)OC(C)(C)C 575440708 QXUPWBDVXWAANP-UHFFFAOYSA-N 674.847 1.998 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CN3CCCN(C)CC3)C[C@@H]1OCc1cccc(c1)O2 952869342 HMNDTPFSHHGDLH-KYJUHHDHSA-N 638.766 1.670 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@H]1CN(C(=O)c3ccc4c(c3)CCO4)C[C@H]1CC(=O)NCCN(C)C2=O 1615712787 YLLVZQLJNAGXIJ-OFNKIYASSA-N 560.611 1.706 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CN(C(=O)c3ccnn3C)C[C@@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 1704316883 DCJAXQLSRFQLPL-ITGKQZKFSA-N 701.825 1.270 0 50 KDAA CC(C)c1cc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)no1 1772713540 OZWBDAWOMAWYAY-OUIFVKKZSA-N 644.729 1.529 0 50 KDAA CC(C)CCN1C(=O)CN(C(=O)C(C)C)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1875242537 SHINUZZNZIXQIZ-LJQANCHMSA-N 502.660 1.229 0 50 KDAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)C(=O)NC[C@@H](c2ccccc2)N2CCc3sccc3C2)C1 1875351253 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0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)N2CCCC[C@@H]2c2cccnc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 1848442278 BPDBXEVYPPWFPU-XIOQGWQRSA-N 551.618 1.566 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2cc(C(F)F)[nH]n2)CCNC(=O)COc2cccc(c2)C1 1857702189 CVBFZNZCWRCBLZ-MHZLTWQESA-N 579.601 1.633 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CCN(CC(=O)NCc1ccccc1C)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952865663 UJAQDOXIUOCCPY-QPOMBEFOSA-N 740.862 1.172 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2cn(C)cn2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952865787 SXOONAWBTBSWBB-BHDXBOSCSA-N 669.787 1.316 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)C2CC2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713501 OHZRRTYAOSBDKJ-LZYPDUGYSA-N 600.676 1.116 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccn(C)c(=O)c2)CCNC(=O)COc2cc(ccc2OC)C1 1857707655 XSPGZTJVWKNIGW-YTTGMZPUSA-N 610.708 1.833 0 50 KDAA 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O=C1CN(C(=O)c2cnn(Cc3ccccc3)c2)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857741549 XXRVGHCOCOUMEP-NDEPHWFRSA-N 612.691 1.543 0 50 KDAA CN1CC(=O)N[C@@H]2CN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 1615705677 JRSWLTXKNSESQX-RPBOFIJWSA-N 591.665 1.816 0 50 KDAA 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)[C@H]3CCCO3)C[C@H]2C(=O)N1 1704326753 MBWYDOLAEFKGGU-HBRVAGQXSA-N 627.783 1.541 0 50 KDAA 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]6CC[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[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 254514826 YFGQJKBUXPKSAW-SFGKMZEJSA-N 969.128 1.642 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CCN(C(=O)c3nn(C)c4ccccc34)CC2)CNC1=O 952857791 XVPLBEFPQQHYMX-OVTZPUTCSA-N 703.841 1.400 0 50 KDAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)CSc3ccccn3)CC2)C(=O)N[C@H]1Cc1ccccc1 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CC(C)C[C@@H]1NC(=O)c2ncccc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc1n2 1704326587 IDBYNFOGXJBICL-IWNAYQHTSA-N 703.826 1.952 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)CCN2CCCCC2=O)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713439 JNHZNVYJFZWREC-DOUMQJFESA-N 685.782 1.109 0 50 KDAA Cc1ncc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](C(C)C)NC2=O)cn1 1857700085 MAKHCHFTOYBCQZ-DGYBNRFQSA-N 653.744 1.911 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3cc(C)on3)C[C@@H]1NC2=O 2356161941 QPJPQESKFFSPPI-CYFREDJKSA-N 536.541 1.711 0 50 KDAA O=C(/C=C/c1ccc(O)c(O)c1)O[C@@H]1C[C@](O)(C(=O)O)C[C@H](O)[C@H]1OC(=O)/C=C/c1ccc(O)c(O)c1 33830675 UFCLZKMFXSILNL-BMPVICKZSA-N 516.455 1.030 0 50 KDAA biogenic CC(=O)N[C@@H]1[C@H](OC[C@@H]2O[C@@H]3OC4(CCCCC4)O[C@@H]3[C@@H]3OC4(CCCCC4)O[C@H]23)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 244998716 KQPACFUEGAAHNG-GLSMKZBUSA-N 669.721 1.904 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(=O)COc2ccc(Cl)cc2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 245225833 RWHQILFVSQZCFE-ZSLQJQOZSA-N 529.926 1.227 0 50 KDAA CC(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CC1 952864996 KLWAZLQWIPULJR-MFMCTBQISA-N 603.724 1.289 0 50 KDAA Cc1nc2ncnn2c(C)c1CCC(=O)N1C[C@@H]2NC(=O)c3cc(cc(C(=O)NC(C)C)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713677 OOCDCGLUEPCHGV-VMPREFPWSA-N 654.728 1.909 0 50 KDAA Cc1cccc(OCC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC3=O)c1C 1772714362 NHPKTLVDZUFPCB-OOCAJSIRSA-N 729.831 1.340 0 50 KDAA C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C 1775966420 CQGUDVRRZKLXFR-LCYRHMHJSA-N 756.971 1.203 0 50 KDAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cn2cnnc2)CCNC(=O)COc2ccc(cc2OC)C1 1857703491 RWUNLLADNJLCHH-SSEXGKCCSA-N 600.717 1.749 0 50 KDAA Cc1nnnn1-c1ccc(CC(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]3C[C@@H](NC(=O)c4cc5ccccc5s4)CN3C2=O)cc1 1857705283 AOHSNORCGHBHGA-BDGPUAICSA-N 729.820 1.262 0 50 KDAA Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2C[C@@H](O)COc1ccc(I)cc1 628054 MSGDDDIFNUAXNO-OAHLLOKOSA-N 539.374 1.848 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253531034 NOKCKQRHADLYOG-SLGMYHMGSA-N 565.572 1.398 0 50 KDAA CC(=O)c1cc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cn3nn2)cs1 952857215 JPZMCLTTYVBRMI-AANQFLQQSA-N 591.694 1.496 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952857612 RLWCLRYUTMRYTK-YPAVDLOZSA-N 654.168 1.768 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)CCc3n[nH]c4c3CCCC4)C[C@@H]1NC2=O 952864205 YUYDXHREAXGKEL-DHLKQENFSA-N 535.605 1.440 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(-c4ccccc4)n(C)n3)CN2C(=O)[C@H](C(C)C)NC1=O 952868955 FJIKOBXEFUTTKV-DHBSUCORSA-N 744.919 1.931 0 50 KDAA COCC1CCN(S(=O)(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)CC1 1704318836 RGSDKVMYLCOGMS-OZXSUGGESA-N 588.683 1.169 0 50 KDAA CO[C@H](C(=O)N1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C)c1ccccc1 1704322841 PBKMUHZPRSKTCZ-VUFXOVIRSA-N 593.725 1.438 0 50 KDAA Cn1cccc1C(=O)N1CCCC(=O)N(CCc2ccccc2)CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCC1)C2 1857726045 UTGQHBYCOHPNKQ-QHCPKHFHSA-N 573.698 1.469 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)C1CCN(C(C)=O)CC1 2100533872 JJEBDBVJULBQCV-BJKOFHAPSA-N 542.677 1.823 0 50 KDAA CC(C)OC(=O)[C@H](C)N[P@@](=O)(Oc1ccccc1)O[C@@H]1[C@@H](CO)O[C@@H](n2ccc(=O)[nH]c2=O)[C@]1(C)F 199980371 IBMLPFZASPUMOW-YBSJRAAASA-N 529.458 1.657 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 230029817 VOEBONRNAWTOGV-NZURDFQBSA-N 564.617 1.451 0 50 KDAA C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 253506281 SKHJNNFXCKTDBG-HQEYFLFZSA-N 708.886 2.000 0 50 KDAA biogenic CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)Cn2cccnc2=O)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704316729 BXSUZDCZYBXSEM-ZVUPFLOZSA-N 701.825 1.567 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cc[nH]c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704316968 FBRKMBLZYFDJAV-HSZRJFAPSA-N 508.579 1.679 0 50 KDAA COc1ccc2cc1OCCN(C(=O)[C@@H]1CCCO1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704319587 XGNUQPBLRAWADJ-NZQKXSOJSA-N 513.595 1.216 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cc(C)on1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704322190 KDJNGZQLZGYGKM-HSZRJFAPSA-N 524.578 1.647 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2n[nH]c3c2CCCC3)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704324797 UUBQEMBOKIJUNN-ONMKNKAUSA-N 715.852 1.261 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ccc(Cn4cnnn4)cc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772705483 XMJXDFNOGAZSMH-ZDQHWEPJSA-N 737.818 1.021 0 50 KDAA COCC(=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 1772714352 MYLLKATXSZJFEE-RNNJVSDQSA-N 693.842 1.763 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CCS(C)(=O)=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817502 NQPILZBCMZICIP-CYFREDJKSA-N 630.749 1.665 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(c3nc(-c4ccccc4)no3)C[C@@H](CNC1=O)O2 1857708053 ROPDATUPZWIWON-XDZVQPMWSA-N 617.707 1.157 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccccc2Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 252516015 PHDLJLBCUHARPE-FSGKZVOOSA-N 561.407 1.819 0 50 KDAA 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CC[C@@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1CCCNC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC1=O 1848442066 GEVMNTNTRNXCIJ-IDFDKPORSA-N 762.006 1.654 0 50 KDAA C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O[C@H]2C[C@]3(C)[C@H](C[C@@H](O)[C@@H]4[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)CC[C@]43C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]23)[C@H](O)[C@H](O)[C@H]1O 585672848 JBGYSAVRIDZNKA-KSQQLWMZSA-N 801.024 1.359 0 50 KDAA biogenic CC[C@H](N)C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CC1 952863074 RYUHTSQZYAFCBZ-GSBZAIBZSA-N 646.793 1.006 0 50 KDAA Cc1cc(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)c(C)o1 1704321449 PEJWNTNVQAPMLT-UOHWUTSQSA-N 668.751 1.885 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3ncc[nH]c3=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321635 CYPXEMIOFVGOSB-LVLVAWRASA-N 811.941 1.347 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3ccc(-c4nnn(C)n4)cc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323407 VITJXPQYZMFBHQ-CPJSRVTESA-N 590.685 1.202 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)CN2CCCCC2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772713360 HWGWLWBJCCPERE-DOUMQJFESA-N 657.772 1.192 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)CN2CCc3ccccc3C2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713696 QLSMECKBXFDZSP-FWGANANOSA-N 680.806 1.162 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)CCc3ccc(F)cc3F)CN2C(=O)[C@@H](NC(=O)c2cnc3ccccc3n2)CCCCN1 1857699467 PZQQJOBUMOFVOR-NABNVEFZSA-N 693.708 1.375 0 50 KDAA 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)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 253476495 WKKBYJLXSKPKSC-KQKWKDGESA-N 666.849 1.406 0 50 KDAA biogenic,in-vitro CC(C)(C)OC(=O)CCOCCOCCN(CCOCCOCCC(=O)OC(C)(C)C)C(=O)CCN1C(=O)C=CC1=O 669371047 RNNUCUOOBIVTED-UHFFFAOYSA-N 600.706 1.660 0 50 KDAA 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]n3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704326401 CDSIVEHSPNZMLO-NYHWNOQPSA-N 783.931 1.987 0 50 KDAA CCc1ncc(S(=O)(=O)N2CCCNC(=O)[C@H](CCSC)NC(=O)c3cc(ccc3C)OCCCn3cc(nn3)C2)[nH]1 1704340632 KKJXRSWXNMXEEG-QHCPKHFHSA-N 618.786 1.903 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ccncc3F)CC2)Oc2ccc(cc2)OCCNC1=O 1772713099 CRLAWTLRRQMAEV-BOSRLCDASA-N 674.730 1.520 0 50 KDAA COCCN1CC(=O)NCCN(C(=O)c2cccnc2)CCC(=O)N(CCC(C)C)[C@H]2CCc3c(c(nn3C)C1=O)C2 1857741504 VWAIHCGIIKXMDM-QHCPKHFHSA-N 581.718 1.298 0 50 KDAA COC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(C)C)C(=O)CF 78938888 MVPQJUFFTWWKBT-LBDWYMBGSA-N 630.670 1.462 0 50 KDAA in-vitro COc1ccc(C(=O)O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@@H]5[C@@]3(C[C@@]3(O)[C@@H]6CN7C[C@@H](C)CC[C@@H]7[C@@](C)(O)[C@@]6(O)[C@@H](O)C[C@@]53O)O[C@]24O)cc1OC 169716567 FVECELJHCSPHKY-DUYQDHHSSA-N 673.800 1.356 0 50 KDAA in-vitro CC(=O)OC[C@@H]1O[C@@H](Oc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253531032 NOKCKQRHADLYOG-GHPYKTLBSA-N 565.572 1.398 0 50 KDAA Cn1nc(C(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)ccc1=O 952868946 JCHJZIOULYAJBT-NSOVKSMOSA-N 603.676 1.646 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccc(N3CCCC3=O)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713551 LSOIVVPTAPATOR-BOCWGRARSA-N 713.840 1.947 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)C2(CCN(C(=O)c3cnccn3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713698 OUBLTPNYRSXTPB-SHFQUTHWSA-N 685.782 1.412 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)COc2ccc(F)cc2F)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714448 RAHWKPZMCWOMGE-YNOBPPCASA-N 677.705 1.461 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cccc(N(C)C)c1)CCNC(=O)[C@H]1CN(C(=O)CCn3cnnc3)C[C@H]21 1857724883 QVTALOZMBUBSSP-RPBOFIJWSA-N 575.670 1.636 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)CCS(C)(=O)=O)CCNC2=O 1875240019 DWMQNZBBHGMXSB-HHHXNRCGSA-N 626.736 1.853 0 50 KDAA Cc1nn(C)c(C)c1CCC(=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 1704323898 JUQQUXQXYPZYSN-GJZMQZSJSA-N 621.783 1.176 0 50 KDAA C[C@@H](OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@@H]2[C@H](NC(=O)Cc3csc(N)n3)C(=O)N12 9163585 VVFDMWZLBPUKTD-ZFUCPZCZSA-N 695.850 1.637 0 50 KDAA in-man CC1(C)[C@H](C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCc2ccccc2)N2C(=O)C[C@@H]2S1(=O)=O 252523082 BVLVIFMBEXJMPU-PUHATCMVSA-N 508.600 1.646 0 50 KDAA CC(=O)O[C@@H]1C(=O)[C@H]2[C@]34CO[C@H](O)[C@@](C)([C@@H](OC(C)=O)C[C@@H]3O)[C@@H]4C[C@@H](O)[C@]2(C)[C@@]23O[C@H]2C[C@@H](c2ccoc2)[C@@]13C 257489646 NAHTXVIXCMUDLF-ZYEJLMQGSA-N 574.623 1.466 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(C(=O)C3(c4ccc(Cl)cc4)CCC3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1615708829 YSJNAJWIOMNZDL-DVECYGJZSA-N 578.073 1.855 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(Cc2cccnc2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704321091 BIKCMLLVBMKFTL-GUFCLIDSSA-N 582.771 1.508 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cnccn2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704330872 HRBKTUHQFKGFAI-SYCKIMCQSA-N 684.798 1.010 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)CN(C(=O)c2ccc(C(F)(F)F)cc2C(F)(F)F)CCNC1=O 1772703969 HBBAULVHMAAEFW-ZVLVQXPOSA-N 678.587 1.609 0 50 KDAA CCCc1ccc(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c4ccccn4)C(=O)N3C2)cc1 1857688849 MKBLYJUZOZZUHS-DNZIZEQUSA-N 620.707 1.182 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2ncc[nH]2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100532893 IZIJHYWGRQXISC-OAQYLSRUSA-N 507.595 1.845 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3nc4ccc(C)cn4c3F)C[C@@H]1CC(=O)NCCN(C)C2=O 952858675 FXYOKCBTNFAWBY-GHTZIAJQSA-N 590.616 1.866 0 50 KDAA COc1ccccc1-c1ncc(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)s1 952862441 NJKYAUPKVIUKFL-YADARESESA-N 588.694 1.885 0 50 KDAA Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)Cn1cc(C(F)(F)F)cc(Cl)c1=O)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952862752 QRLGDLAMWLIBFJ-CJAUYULYSA-N 668.073 1.570 0 50 KDAA CCn1ncc(C(=O)N2C[C@@H]3c4cccc(c4)OCC(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N(CC4CC4)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H]3C2)c1C 1704316914 DRBJSUKFIBKZGU-KWRMZWAXSA-N 749.873 1.745 0 50 KDAA COc1ccc(-n2ccnc2CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC3=O)cc1 1772713596 MUAFEPDTAYVHTG-BIWWMPFASA-N 753.857 1.512 0 50 KDAA CC(C)=CCC[C@@](C)(O[C@@H]1O[C@H](CO)[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]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C 1772715428 YURJSTAIMNSZAE-OVQXMHPVSA-N 801.024 1.120 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc(N3CCN(C)CC3)cc2)CCNC(=O)COc2cccc(c2)C1 1857702795 CRNLNNZIKKMABO-UUWRZZSWSA-N 637.778 1.724 0 50 KDAA Cc1noc(C)c1S(=O)(=O)N1CCCC(=O)N(CC(C)C)CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCC1)C2 1857726046 UTNLJAJIWNBQDI-FQEVSTJZSA-N 591.735 1.040 0 50 KDAA O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1NC[C@H]1CCCO1)c1cccc(N=c2nn[nH][nH]2)c1 1875350792 ALXDJXJURZWONO-GOSISDBHSA-N 528.595 1.229 0 50 KDAA CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](N(C)C)[C@H]2O)[C@@H](CCO)C[C@H](C)[C@@H](O)C=CC=CC[C@H](C)OC(=O)C[C@H]1OC 936069314 CLLNLNUKYLQHCK-ODGBECRZSA-N 717.894 1.293 0 50 KDAA COc1ccc2cc1OCCN(C(=O)CN1CCOc3ccccc3C1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321718 XDRXYZJHMBUXMK-SSEXGKCCSA-N 604.708 1.931 0 50 KDAA CCCCNC(=O)NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2C)cc1 16383620 LTYJDNVKJYDVFU-UHFFFAOYSA-N 504.598 1.791 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cc(C)nc4c3c(C)nn4C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704326812 NODLIHOKCRXXSQ-FQYQUSJJSA-N 690.846 1.953 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(Cc3cncs3)CC2)Oc2ccc(cc2)OCCNC1=O 1772714436 QJQFSCVYTWKJHE-LXWOLXCRSA-N 648.786 1.802 0 50 KDAA COc1ccc2cc1OCCCNC(=O)[C@H]1CCCCN1C(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1775978636 GRMXXROWDCGECA-XZOQPEGZSA-N 536.629 1.822 0 50 KDAA COC[C@@]12CC[C@H](OC)[C@@]34[C@H]1[C@@H](OC)[C@@H]([C@H]3N(C)C2)[C@]1(OC(C)=O)[C@@H](O)[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@@H]2OC(=O)c1ccccc1 245204637 FIDOCHXHMJHKRW-GQTLHJQLSA-N 615.720 1.287 0 50 KDAA biogenic Cc1cc(C)c(CC(=O)N2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)c(C)c1 1616112609 RGQCMZNCMLIYBA-BWKNWUBXSA-N 545.644 1.247 0 50 KDAA 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](C)O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704298038 DBJDAAWZFVDFFF-JQHZHDDXSA-N 761.921 1.331 0 50 KDAA CCCn1cc(S(=O)(=O)N2CC(=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)cn1 1704322901 QCGFOQWTBBCHGP-CSZVXOJQSA-N 675.853 1.210 0 50 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CNC(=O)CCC(=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 1704340260 RSTIXUPYOMXOBQ-LDTKWQAYSA-N 802.974 1.476 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)COc1ccc3nncn3n1)CC(=O)N[C@@H](C(C)C)C(=O)NCc1nc-2oc1C 1775981333 KPQDIJIZSMKHIU-MHZLTWQESA-N 606.640 1.543 0 50 KDAA COCCN1CC(=O)N[C@H](C(=O)NC2CCCCCC2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O 952863466 BEBVCKOIWWAGEL-DQEYMECFSA-N 544.693 1.951 0 50 KDAA CO[C@@H](C(=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)c1ccccc1 1704316589 WHRBMXFSGODYDW-POPAHSKHSA-N 605.736 1.580 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)C2CCNCC2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704317085 DVWDJMJEMVHWGP-WTWMYVDVSA-N 749.939 1.432 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@H]2COCCN2C)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1775984242 KXWHETRLVULGJE-ZWSUVBHBSA-N 623.736 1.561 0 50 KDAA 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CC(C)OCCCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 12382725 YDLXRIRYJGPRTF-QFIPXVFZSA-N 509.650 1.682 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)C2CCC2)CCCNC1=O 1704321439 OTAKAJMNQGUQNO-JHMXWDHMSA-N 541.693 1.288 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NS(=O)(=O)c2ccccc2F)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704323774 UJNVXOWRCJAGCE-QDTXHQOISA-N 725.840 1.346 0 50 KDAA Cc1oc(-c2ccccc2F)nc1CN1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)C1 1772714254 HQYOGJOVOVTBQD-MZXZQTHYSA-N 627.674 1.034 0 50 KDAA 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]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@@H]4C2(C)C)OC[C@@H](O)[C@H]1O 1775966385 AYWNHWGQTMCQIV-PBJNZCPVSA-N 827.018 1.295 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CCNC2=O 1857724895 REDFYAXLDDKBFI-HXUWFJFHSA-N 675.724 1.975 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3c(Cl)c(C(F)(F)F)nn3C)C[C@@H]1NC2=O 952857532 JQHQPFDSHAVDIZ-YOEHRIQHSA-N 569.928 1.925 0 50 KDAA COCCN1CC(=O)N[C@H]2CN(C(=O)C3CCN(C)CC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952863517 BKEPFBPGUFOKTM-UIOOFZCWSA-N 551.644 1.530 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2cnn(C(C)C)c2)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952865592 SLELYSQUCJDMHH-NDBXHCKUSA-N 575.674 1.009 0 50 KDAA CCN1CCN(CC(=O)N2CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3ccc(cc3)C2)CC1 1704323397 VCYKSRVSYZPCMF-ZSUPJWAMSA-N 689.902 1.939 0 50 KDAA Cc1nn(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)c(=O)c2ccccc12 1772713188 CFABUVLMHOEWBQ-HCLMJZEPSA-N 698.781 1.228 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cccc(OCC(N)=O)c2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775981135 PLPRQKRTPXVVNK-LGGPFLRQSA-N 649.749 1.699 0 50 KDAA 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COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713495 NYEFHBDYZRPCGO-FOHSLPDOSA-N 845.976 1.655 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc3c(=O)n(C)cnc3c1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714533 VUWJQVRHGRNKNX-MVSFAKPFSA-N 669.787 1.817 0 50 KDAA C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](CO)O[C@H]2O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]5[C@H](C)[C@@]6(CC[C@@H](C)CO6)O[C@@H]5C[C@H]43)C2)[C@H](O)[C@H](O)[C@H]1O 253505459 KFYOFJUUTSALEH-VGOZSRPQSA-N 871.071 1.322 0 50 KDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@H]2CC(=O)N(C)CCNC(=O)c3cccn(c3=O)Cc3cn(nn3)[C@H]2C1 1615704149 KHXTUEDAELWFPO-BWKNWUBXSA-N 584.637 1.286 0 50 KDAA COc1cc(C(=O)N[C@H]2CCCNC(=O)CN(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC2=O)nc2ccccc12 1704321837 GQNXVZQVWWQIBJ-HVPQLXMJSA-N 687.798 1.083 0 50 KDAA Cc1cc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)c2c(C)nn(C)c2n1 1772702473 SFYYFZUSNSQTFL-WTWMYVDVSA-N 694.793 1.316 0 50 KDAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccc(N3CCOCC3)nc2)CCCNC(=O)COc2ccc(cc2)C1 1775977412 GPEAKLVLHGLFDG-UMSFTDKQSA-N 653.777 1.984 0 50 KDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCCNC(=O)c2nn(C)c3c2C[C@@H](CC3)N(C)C(=O)CCC1 1875240701 GIHUPJUKTCPSCH-LJQANCHMSA-N 569.688 1.535 0 50 KDAA CC(C)[C@@H](NS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)ccc1-2)C(=O)O 6190737 QZQJOYWSRYBHSW-WOJBJXKFSA-N 538.600 1.673 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccncc2F)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772703699 NKXNMYWOYYGRTC-BPYKYCOYSA-N 649.728 1.354 0 50 KDAA C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 1775953612 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1.945 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(C)=O)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 252460856 IPWQJEONCUFCOR-LASMWDCXSA-N 710.821 1.952 0 50 KDAA biogenic CC[C@@H]1NC(=O)[C@H](NC(=O)c2ncccc2O)[C@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@@H](Cc2ccc(N(C)C)cc2)N(C)C(=O)[C@@H]2CCCN2C1=O 256013181 YGXCETJZBDTKRY-KMSNYXIVSA-N 866.973 1.270 0 50 KDAA biogenic,in-vitro CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2cccc(N(C)C)c2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713579 LOVHNEOOBNCQTP-MWVDVNALSA-N 645.761 1.890 0 50 KDAA Cc1ccccc1Cn1c(SCC(=O)Nc2nn(-c3ccccc3)nc2C(N)=O)nc2c1c(=O)n(C)c(=O)n2C 2192707 CLBZLZUJZVRLKZ-UHFFFAOYSA-N 559.612 1.201 0 50 KDAA C[C@@]12CC[C@H]3c4ccc(O[C@H]5O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]5O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OS(=O)(=O)O 253615101 XZXBPAODZJETKT-QTCARLKPSA-N 528.576 1.002 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)C1CCC1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952864062 XOXHABDCVVKOQF-XUHJDFEOSA-N 659.825 1.448 0 50 KDAA Cc1cc(C(=O)N[C@H]2CCCNC(=O)CN(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC2=O)c2ccc(F)cc2n1 1704322399 GWALEMHXPWXPQJ-XDERILFOSA-N 689.789 1.522 0 50 KDAA CCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCNC1=O 1704324027 LMAHTXMUHIUTMZ-DDCZRDCQSA-N 711.220 1.028 0 50 KDAA Cc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC2=O 1704338034 JGHXKAWYZXRCKM-IKTSXZLFSA-N 744.894 1.854 0 50 KDAA CCc1ncc(S(=O)(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)[nH]1 1772707224 ZNVSJEKENRTPKN-LXFBAYGMSA-N 641.799 1.404 0 50 KDAA O=C(CN1C[C@H](O)[C@H](O)[C@H](O)C1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 2325860554 LELOXEYRCOQTOP-BOLBYERCSA-N 512.426 1.483 0 50 KDAA CN(Cc1cccc(OCCN2CCN(C(=O)c3cnc4ccccn4c3=O)CC2)c1)C[C@H]1CCC(=O)N1 11812765 BBEYEOXYNODSKH-JOCHJYFZSA-N 518.618 1.242 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O 255996515 QFIYSPKZWOALMZ-KTRSYFJOSA-N 857.815 1.750 0 50 KDAA biogenic,in-vitro CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)C2CCOCC2)CCNC(=O)COc2cccc(c2)C1 1775984229 KRWXHZWSRMMQLU-MUUNZHRXSA-N 547.649 1.085 0 50 KDAA COc1ccc2c(C)c(C(=O)N[C@H]3CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]4C[C@@H](NC(=O)c5cn(-c6ccccc6)nn5)CN4C3=O)oc2c1 1857706156 BTJVCLRXHGJJDZ-NABNVEFZSA-N 728.763 1.478 0 50 KDAA COCCn1cc(-c2noc([C@@H]3CCCN3S(=O)(=O)c3ccc(Br)cc3)n2)c(O)nc1=O 1875345977 ORVDWSBANVPJLQ-HNNXBMFYSA-N 526.369 1.934 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1nsnc1C)CCCNC(=O)[C@H]1CN(C(=O)CCn3cnnc3)C[C@H]21 1940197871 YDOXDEIRSLRJSN-UXHICEINSA-N 568.660 1.120 0 50 KDAA NC(=O)COc1cccc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)c1 2356135106 PSFCILDGTJUJIB-ANFGNJKFSA-N 545.640 1.629 0 50 KDAA CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C 256013134 YGLOALWHJIANIH-HOOFQYAASA-N 665.700 1.098 0 50 KDAA COCC(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)C2(CC2)NC(=O)c2cncc(c2)-c2cc(cc(OC)c2OC)C1 1772706139 OYICSHYDQFVNLP-HSZRJFAPSA-N 581.670 1.664 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3csc(-c4ncccn4)n3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713178 BUWTVNUPMZROKL-UFPVPOCKSA-N 770.869 1.260 0 50 KDAA Cc1c(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)cnn1C 1772714042 ZNLYKVHUIWDKHW-JYUFKMNQSA-N 659.788 1.388 0 50 KDAA CC(C)=CCC[C@](C)(O)[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]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C 1772820172 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TUXUPDLOZNLLPH-NRFANRHFSA-N 540.642 1.640 0 50 KDAA Cc1cc(CC(=O)N2CCCCOc3cccc(c3)[C@H]3CN(C(=O)c4cnccn4)C[C@@H]3NC(=O)C2)on1 2100533443 PIZZFLVRPVUDQW-VWNXMTODSA-N 518.574 1.741 0 50 KDAA COC(=O)CCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C 4557168 CMEUDEVBFFPSEI-DNYKVHSOSA-N 627.695 1.134 0 50 KDAA CC(C)[C@]1(O)NC(=O)[C@H](C[C@@]2(O)c3ccccc3N3C(=O)C(C)(C)N[C@H]32)n2c1nc1ccccc1c2=O 225458941 ZCTHXQVUJKDGDA-RJEIYNTCSA-N 503.559 1.201 0 50 KDAA biogenic CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2cccc(OCC(N)=O)c2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952861791 BBXZLIUSNTUZDP-MSEJLTFDSA-N 738.846 1.447 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)CN(Cc2ccccc2-c2ccccc2)CCNC1=O 1772706793 XXQXUAIDONVXPP-HHPBIKOWSA-N 604.708 1.598 0 50 KDAA COC(=O)[C@@H]1[C@H](O)[C@]2(O)c3c(OC)cc(O[C@@H]4O[C@H]([C@H](O)CO)CO[C@@H]4OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1 257429886 GVKXFVCXBFGBCD-URAZADFSSA-N 654.665 1.573 0 50 KDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc(on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c2cccc(c2)[C@@H]2N(C(=O)CNS(C)(=O)=O)CC[C@]23C(=O)N(CC1=O)c1ccccc13 952856697 FQVOTIBBNZTCNW-AZGAKELHSA-N 526.615 1.035 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2cscn2)CCNC1=O 952857157 PANGEAOGVGRXCN-HXUWFJFHSA-N 543.625 1.912 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)c2[nH]nnc2C)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704319245 SSTDBJHNIVVWED-OEKXEMMHSA-N 768.967 1.517 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2ccccc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704323425 VWPWLHCDAKOULJ-XZQSQWLPSA-N 689.839 1.921 0 50 KDAA CCc1noc(C)c1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772703339 FLANTUYXGUUFMX-TXQOIQMMSA-N 669.739 1.879 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2csc(-c3ncccn3)n2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772704135 MFZPYPBNIKNUNE-WMTXJRDZSA-N 715.841 1.734 0 50 KDAA O=C1CN(C(=O)c2cc3ncccn3n2)CCNC(=O)Cn2cnc3c2CCN(C(=O)c2cncc(Cl)c2)[C@H]3c2cccc(c2)OCCCN1 1775983887 UXSNMVZUGNUIBH-YTTGMZPUSA-N 697.156 1.919 0 50 KDAA CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)CSCc2cc(=O)n3ccsc3n2)C1=O 1875351235 PBAHONCVYJQEOS-UHFFFAOYSA-N 500.562 1.121 0 50 KDAA COc1cc2cc(OC)c1OCCCn1cc(nn1)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952856238 UFMHNHIGMNEOOX-WTWMYVDVSA-N 683.766 1.968 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC1=O 952862570 BIFUWYCQSANERZ-UXHICEINSA-N 529.001 1.235 0 50 KDAA 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)n(C)n1 1704318014 MMENLPAFMWRUMH-MXSCXNJPSA-N 760.922 1.788 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)CN2CCOC2=O)CCNC(=O)COc2cc(ccc2OC)C1 1857702669 GJBHHLMFGICBQC-PMERELPUSA-N 602.685 1.273 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1cc[nH]c1)CCNC2=O 2100534224 YRYWDRYCGLLKFB-QFIPXVFZSA-N 569.707 1.108 0 50 KDAA CC[C@H](C)[C@H](NC(=O)[C@H]([C@@H](C)CC)N(C)C(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1)[C@@H](C)O 3927842 DOGIDQKFVLKMLQ-JTHVHQAWSA-N 554.729 1.165 0 50 KDAA in-vitro COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]1NC2=O 952862468 OGEQENMTOBAHHM-URXFXBBRSA-N 527.603 1.282 0 50 KDAA CC(C)Oc1cccc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C2)c1 952864837 QWOQSOXJPAHORD-SPIXWDJSSA-N 708.816 1.944 0 50 KDAA CC(C)CCC(=O)N[C@H]1CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 1704344051 NBKQBBCADJEFOJ-YUKAWCOESA-N 709.889 1.414 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCCO3)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772701998 QDAUSHLKGZLMNY-QLCOJLISSA-N 669.735 1.189 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(Cc2ccc(OCCN3CCOCC3)cc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772817452 PSUYLIHSCVAOBC-FISMMAAMSA-N 745.926 1.891 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cc1ccccc1Cl)CCCNC(=O)[C@H]1CN(C(=O)CNC(C)=O)C[C@H]21 1875242301 RHRCVMHMPSMIEL-PKTZIBPZSA-N 571.074 1.997 0 50 KDAA CCCCC[C@H](O)[C@@H]1C(=O)O[C@H](C)[C@H](O)C=CC=CC=CC=CC=C(C)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@H]1O 253637625 IMQSIXYSKPIGPD-KKZREOCMSA-N 654.838 1.888 0 50 KDAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cc(-n4cnnn4)ccc3O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321122 CZJDGJHDPJPWMU-YFZVMGGLSA-N 878.004 1.945 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCCc3cn[nH]c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323392 URJDBAXXKLETAS-CSZVXOJQSA-N 639.798 1.487 0 50 KDAA COc1cccc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC3=O)c1OCCN1CCOCC1 1772713294 IVRBCDMOSCFJHB-DQDKLZPJSA-N 816.953 1.038 0 50 KDAA COc1c(F)cccc1C(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC2=O 1772714082 AAJPBUXQGSPQQF-GSEMILKTSA-N 719.767 1.106 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)CN2CCCCC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772817929 URJIWNHARFNAHB-UEMWQVMZSA-N 731.895 1.533 0 50 KDAA C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@@H]5[C@@H]4CC[C@@]4(C)[C@@H]5C[C@@H]5O[C@]6(CC[C@@H](C)CO6)[C@@H](C)[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 245224355 VNONINPVFQTJOC-AAFQKFBTSA-N 869.055 1.242 0 50 KDAA biogenic,in-vitro C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2nc3ccccc3[nH]2)NC1=O 952857456 IDGSNICIESZBMS-UISMFSQSSA-N 679.778 1.565 0 50 KDAA COc1ccc2cc1OCCN(Cc1nccn1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321711 WKCYLHFFCFBHOC-XMMPIXPASA-N 509.611 1.444 0 50 KDAA Cc1nn2ncccc2c1C(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc(on2)C1 1772713121 DWGKITZKLUWWGG-NQHRYMMQSA-N 657.732 1.175 0 50 KDAA CC(=O)OC[C@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857524759 NOKCKQRHADLYOG-CPSRQQAUSA-N 565.572 1.398 0 50 KDAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2ccccn2)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857705355 DGJGSTJEFGJYOX-AMGIVPHBSA-N 698.781 1.903 0 50 KDAA COc1cc([C@H]2c3cc4c(cc3[C@H](O[C@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O 226546606 VJJPUSNTGOMMGY-IJRFTVKOSA-N 588.562 1.339 0 50 KDAA in-vitro C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 255195042 AMXYFWUYMQOLRN-UHJUGBTBSA-N 913.108 1.345 0 50 KDAA Cc1cc(C)c2c(CC(=O)N3C[C@@H]4CC(=O)NCCN(C)C(=O)c5cccn(c5=O)Cc5cn(nn5)[C@@H]4C3)coc2c1 952865304 VXJFCLHUQKPOJT-GBXCKJPGSA-N 571.638 1.685 0 50 KDAA CCN1CC(=O)N[C@H]2CN(C(=O)Cc3cnc(O)n(C)c3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952865494 ZJZQGWSSTDJNGG-UIOOFZCWSA-N 589.649 1.528 0 50 KDAA Cc1oc(-c2ccccc2Cl)cc1C(=O)N1CCNC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)C1 1772713824 SVBCQSMRTRANJC-FLCRCLQTSA-N 657.124 1.793 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cnn3cccc(C)c23)CCNC(=O)COc2cccc(c2)C1 1857698933 BAIYIVIICGERLF-WJOKGBTCSA-N 593.681 1.929 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2CCOCC2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857705191 XJSLDGQNYBQJPH-DETITRACSA-N 645.761 1.926 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1n1nc(-c2ccncc2)n(C(C)C)c1=S 334161034 RNSUCGKBHJJDII-WKHGPKRUSA-N 549.606 1.886 0 50 KDAA CCCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952855969 XLTYLEBEGDCUHA-UTPIKVEBSA-N 654.168 1.912 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CCN(Cc1cc3c(cc1C)OCO3)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952862934 NTVZQAGESXZDRU-BXMJOFTNSA-N 727.819 1.784 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1ccc(-n3cnnn3)cc1)CCCCNC2=O 1857702312 IDNFMOPMBJMSSO-ADRJNJHWSA-N 785.859 1.760 0 50 KDAA CCn1nc(C)cc1C(=O)N1CCCOc2cccc3c2OC[C@@]2(CNC(=O)CCC1)CN(C(=O)CN1CCOC1=O)C[C@@H]32 1875242399 QJRCMTLHKXBOAY-GTYOFVGBSA-N 608.696 1.790 0 50 KDAA COc1ccc(OCc2ccc(C(=O)N[C@H]3C(=O)N4C(C(=O)O)=C(COC(C)=O)CS[C@@H]34)o2)cc1 15947430 JSTZNMSVBVDXIM-AVRDEDQJSA-N 502.501 1.783 0 50 KDAA CSCC[C@@H]1NC(=O)c2ccc(C)c(c2)OCCn2cc(nn2)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC1=O 952857645 QIXHRKNKRHDFBV-BVYCBKJFSA-N 573.720 1.182 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(C(=O)CCc3cccc(Cl)c3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952862310 LDHZSWJWYLMVAI-WMZHIEFXSA-N 552.035 1.366 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCCNC(=O)[C@@H](C)NC1=O 1704315676 BHDKFOYENXYFAC-AYYXBPQESA-N 675.831 1.845 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)C2(CCCC2)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 1704318056 NYRQEFQESXBRBI-WMBPSLEXSA-N 652.152 1.666 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(C)=O)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704321565 UMBODRFOHPEGQL-AMDXRBSFSA-N 559.708 1.249 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc(Cn4cnnn4)cc3)C[C@@H]1NC(=O)CC2 1772714576 XUKFGVNTKJPOLU-WNJJXGMVSA-N 611.659 1.760 0 50 KDAA Cc1noc(C)c1C(=O)N1CCCNC(=O)[C@H]2CN(C(=O)CCCn3cncn3)C[C@@H]2c2cccc(c2)OCC1 1875241344 BBEIXRNJPCTOEK-RPWUZVMVSA-N 549.632 1.946 0 50 KDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N[C@@H]3C[C@H]4C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)CCc5ccccc5)C(=O)N4C3)cc2n1 1857697589 XYSHKMFHTVFXOO-FVEXOFTDSA-N 728.729 1.523 0 50 KDAA O=C1Cn2cnc3c2[C@@H](c2cccc(c2)OCCCN1)N(C(=O)CCN1C(=O)c2ccccc2S1(=O)=O)CC3 1857702960 KFPNKNRPGHNHAF-RUZDIDTESA-N 549.609 1.491 0 50 KDAA Cc1nccc(-c2ccccc2)c1C(=O)N1C[C@@H]2CNC(=O)[C@H](C(C)C)NC(=O)CN(C)C(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](C1)O2 1857709917 XZEUWWXYGBTWLD-XKNALMRJSA-N 654.768 1.723 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)c1cccnc1N1CCN(CCO)CC1 2100534249 ZNRSJBPLQMDLLY-IZZNHLLZSA-N 622.767 1.388 0 50 KDAA Cc1nc(CN2CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)Cc3cccc(c3)OCC(=O)NCCC2)c2ccccn12 952855894 NRCFBMTVQZXGRB-TVYLWUJTSA-N 677.847 1.879 0 50 KDAA CC(C)C[C@H]1NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952857183 ISIVVLUBVUPHIP-CECRCILSSA-N 654.168 1.768 0 50 KDAA Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)CCc1c(C)nn(C)c1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952857517 JKHGJLFPTKKZJB-DFHRPNOPSA-N 594.717 1.019 0 50 KDAA CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@H]1[C@]3([C@@H](OC)C[C@H]2OC(C)=O)[C@@H]1C[C@]2(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccccc1 169722594 RIPYIJVYDYCPKW-AOGBQMGBSA-N 687.783 1.219 0 50 KDAA biogenic CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCNC1=O 952865467 YKIXZSDJJPWYAX-RKYHASQBSA-N 750.261 1.130 0 50 KDAA CC[C@H]1CN(C(=O)c2ccc(OC)nc2OC)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704323362 GNIUNSMZAAJCGL-VQPAQMSKSA-N 624.739 1.213 0 50 KDAA CCOc1ncccc1C(=O)N[C@H]1CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 1704338794 GHVBRYZCVDBCGX-ZJLONZNESA-N 760.893 1.085 0 50 KDAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)c1cn2cccnc2n1)CCNC3=O 1775977094 GUZHLXJCGRBKFD-IRPSRAIASA-N 720.835 1.902 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCc1nc(-c3cccnc3)no1)C2 1857707417 RIYDWECDENFYHV-WJOKGBTCSA-N 605.696 1.780 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@H]1CN(C(=O)c3nc4ccc(C)cn4c3F)C[C@H]1CC(=O)NCCN(C)C2=O 1616093515 FXYOKCBTNFAWBY-NQIIRXRSSA-N 590.616 1.866 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(Cc3cc(O)nc(O)n3)C[C@@H]2Oc2ccc(cc2)CN1 1772713343 JSAZNWRCWBHSFA-DQEYMECFSA-N 561.595 1.747 0 50 KDAA CCn1c(O)nc2cc(C(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)CC34CCS(=O)(=O)CC4)ccc2c1=O 2325864326 MHGYMQLISGVJKW-GOSISDBHSA-N 520.608 1.666 0 50 KDAA COc1cc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)CCC(=O)O)cc2ccccc12 4545932 PBDYNZJYYRZOFV-FCHUYYIVSA-N 506.559 1.823 0 50 KDAA in-vitro CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccccc2Br)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 252516017 PHDLJLBCUHARPE-UTBUEMAESA-N 561.407 1.819 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@H]1[C@@](O)([C@@H](OC)[C@H]23)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@@H]1[C@H]2OC(C)=O 252694314 IPWQJEONCUFCOR-JLYGCHLFSA-N 710.821 1.952 0 50 KDAA 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](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 257349231 MPNVERPXYCHWMG-IIXYTWCISA-N 724.797 1.941 0 50 KDAA CC(C)CCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3ccccn3)C[C@H]2c2cccc(c2)OCC(=O)N[C@@H](CO)C1=O 952857817 VIGFYWGOLUNGDJ-JWBWZKDWSA-N 684.794 1.278 0 50 KDAA COc1cc(C)c(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1C 952861746 GOFILPKJIOHBKX-XUZZJYLKSA-N 533.633 1.379 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2cn3ccsc3n2)CCNC1=O 952865172 OWKGPSXIMDEXCM-SGGJORCASA-N 714.249 1.935 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)CCc2ccnn2C)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704323199 AWMBVPVAYBAEJO-QZFRTWIZSA-N 774.949 1.799 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc4nn[nH]c4c3)C[C@@H]1NC(=O)CC2 1772705247 LTNZUKIDHIGLHP-IGKIAQTJSA-N 570.606 1.996 0 50 KDAA COc1cc(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)ccc1F 1772713612 MTHQIYIWJQZIIR-VVZHRXSXSA-N 678.766 1.968 0 50 KDAA COc1ccccc1-n1cc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@H](CO)NC2=O)cn1 1857699713 WHAFRNCNVOEPGU-OIFPXGRLSA-N 721.775 1.344 0 50 KDAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cn2cnnc2)CCNC(=O)COc2ccc(cc2OC)C1 1857703490 RWUNLLADNJLCHH-PMERELPUSA-N 600.717 1.749 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cnc5ccccn5c4=O)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100532821 BJEHJQSDSRPNTG-PTMODEPLSA-N 584.677 1.400 0 50 KDAA CC(=O)OC[C@]1(O)[C@@H](O)C[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]12 261492887 LUDMVJVLHCEECS-HXTWUXIJSA-N 558.621 1.379 0 50 KDAA biogenic O=C(COC(=O)c1nnc(O)c2ccccc12)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 952961835 MFNRNTNPRZMSTR-UHFFFAOYSA-N 506.924 1.805 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@H]1CN(C(=O)Cc3ccc4c(c3)OCO4)C[C@H]1CC(=O)NCCN(C)C2=O 1615710490 MQYVZROBXAZMRA-KNQAVFIVSA-N 576.610 1.429 0 50 KDAA Cc1sc2ncn(CC(=O)N3CCN(c4ccccn4)CC3)c(=O)c2c1S(=O)(=O)N1CCC(C)CC1 3650621 YRBRHTTZVGUDSB-UHFFFAOYSA-N 530.676 1.931 0 50 KDAA Cc1cccc(CN2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)n1 1772703582 MSMRCXGSZJCMBC-CLCZQPDDSA-N 631.782 1.883 0 50 KDAA CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@H]3[C@H](O)[C@@H](O)[C@]3(C)[C@H]([C@@H](C)O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 1772820187 ITPJPPQJMRCTTO-AKDCWOOBSA-N 815.007 1.940 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cn1cnnn1)CCCNC(=O)[C@H]1CN(C(=O)c3cc(C(C)C)on3)C[C@H]21 1875240464 TVIBITKUZHRIIY-UXHICEINSA-N 566.619 1.076 0 50 KDAA C[C@@H](C(=O)N1CCC[C@H](N2CCN(C(=O)C3=C4CCCN=C4NN3)CC2=O)C1)c1ccc(Cl)s1 2325842572 AWRZHMQILPPJIN-CABCVRRESA-N 505.044 1.721 0 50 KDAA CC(=O)OCCCN1C(=O)c2ccc(S(=O)(=O)c3ccc4c(c3)C(=O)N(CCCOC(C)=O)C4=O)cc2C1=O 2949930 CVYGGBHANYRYOO-UHFFFAOYSA-N 556.549 1.618 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](O[C@H]2[C@H](COC(C)=O)O[C@@H](Nc3ccc(C)cc3)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 254319745 ZQXSFOAPFLRFGY-VVKXAGDHSA-N 725.697 1.027 0 50 KDAA COc1cccc(OCC(=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)c1 952864522 WXULCPYUFCCYDO-RKYHASQBSA-N 728.247 1.999 0 50 KDAA CC[C@H]1CN(C(=O)CCN2CCCCCC2=O)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704321630 CVNZRBKMHGEUMZ-BDGPUAICSA-N 626.799 1.279 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cnccn3)C[C@@H]2Oc2ccc(cc2)CN1 1772701320 KWANEQLMBMVMIC-UIOOFZCWSA-N 543.580 1.976 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CCCS(N)(=O)=O)CCCCNC2=O 1857699677 YVELBBRTZFZOOH-GDLZYMKVSA-N 661.778 1.674 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1nnc3n1CCCC3)CCCCNC2=O 1857702799 CVAPKYMKVUCKDV-RUOFSAEFSA-N 762.865 1.713 0 50 KDAA COc1ccccc1OS(=O)(=O)CCN1CCN(CCS(=O)(=O)Oc2ccccc2OC)CC1 22576914 BPNBLOGDTPAUNC-UHFFFAOYSA-N 514.622 1.439 0 50 KDAA O=C1CCNC(=O)C2(CCN(C(=O)CN3CCOC3=O)CC2)Cc2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)O)N1 952857245 SGWVCDNIALJSEW-DEOSSOPVSA-N 578.622 1.714 0 50 KDAA CN1CCNC(=O)c2cccn(c2=O)Cc2cn(nn2)[C@H]2CN(C(=O)CCc3nc4ccccc4s3)C[C@H]2CC1=O 1615708259 HNMBSTQUJOASRI-GCJKJVERSA-N 574.667 1.322 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccccc2C(F)(F)F)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704324063 WAFKVQQLKBRCAQ-AESDOZTDSA-N 674.721 1.545 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)CN3CCCC3=O)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772700654 BWWNKWZUODFBRV-NGTAJDMZSA-N 746.906 1.739 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1ccccc1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714504 UBBJAULMUBAPQI-JBXWGSRRSA-N 644.777 1.684 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c2ccc(F)c(F)c2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857705315 BTIJSACROXJYSR-DOYMOWJKSA-N 661.666 1.428 0 50 KDAA COc1ccc2cc1OCC(=O)NCCN(C(=O)c1cnc[nH]1)CCCC(=O)NC[C@](CC1CC1)(C(=O)NC1CCC1)C2 1875241564 UELUTAQRSCKEKJ-WJOKGBTCSA-N 594.713 1.963 0 50 KDAA O=C1CC[C@H](N2C(=O)c3cccc(NC(=O)CN4CCN(Cc5ccc(Cl)cc5)CC4)c3C2=O)C(=O)N1 2325900449 ZHSHHQOZGLTZIC-FQEVSTJZSA-N 523.977 1.498 0 50 KDAA O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1 114628162 RMYVVSKNFAMRGJ-ZEQRLZLVSA-N 608.608 1.063 0 50 KDAA in-vitro C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2cccnc2)NC1=O 952856692 LAMSRWZTWXCPTD-IUFAUYNMSA-N 640.741 1.383 0 50 KDAA O=C1NCCCn2cc(nn2)CC2(CCN(Cc3cnc(N4CCCC4)nc3)CC2)C(=O)N[C@H]1Cc1ccccc1 952856820 GLVWPRFXWSGBBR-SANMLTNESA-N 557.703 1.741 0 50 KDAA COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)c3cc(=O)n(C)c(=O)n3C)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952863933 DWJKVPCTTQRQOW-CUBQBAPOSA-N 631.686 1.348 0 50 KDAA COc1cccc2c1OCc1cn(nn1)CCOc1ccc(cc1)CC(=O)NC[C@H]1CN(CCO1)C2=O 1704321974 JMSRWEVKMQZULW-NRFANRHFSA-N 507.547 1.458 0 50 KDAA C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 4099050 VRMSCBRLZUCJBX-QXYWQCSFSA-N 528.576 1.002 0 50 KDAA endogenous,world COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)c1ccc(cc1)CNC2=O 1616068277 ZBDDHZSZFLMOTI-CPJSRVTESA-N 605.696 1.965 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2ccccc2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322810 PFACFXFBLCCRFQ-GUFCLIDSSA-N 595.766 1.753 0 50 KDAA Cc1c(S(=O)(=O)N2CCCOc3cccc(c3)-c3nccn3CCNC(=O)[C@@H](CC(C)C)NC(=O)C2)cnn1C 1940197080 QSMLIMYCDGUBRH-HSZRJFAPSA-N 571.704 1.713 0 50 KDAA CC(=O)OC[C@@]12[C@H]3[C@H](OC(C)=O)C[C@]4(C)[C@@H](C5=CC(=O)OC5)CC[C@]4(O)[C@@H]3CC[C@@]1(O)C[C@@H](OC(C)=O)C[C@H]2O 257348939 KESMJXVKHKQATP-ASJGXHEBSA-N 564.628 1.346 0 50 KDAA Cc1cc2occ(CC(=O)N[C@@H]3C[C@H]4C(=O)N[C@@H](C)C(=O)N[C@@H]5CCC[C@H]5C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N4C3)c2cc1Cl 952861639 GKRSONQBDJEXML-LGHFLBCKSA-N 749.265 1.419 0 50 KDAA COc1cccc(OC)c1C(=O)N[C@H]1Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC1=O 1704316922 DUMHNSUFQPQEBE-HDDCPXQRSA-N 731.847 1.676 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(Cc3cccnc3N)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704319408 VEPODLKPSQIBPU-NVSKSXHLSA-N 609.772 1.392 0 50 KDAA Cc1cc(CC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)on1 1772714410 PFYYFPBNXXAFNS-MOMDTQCHSA-N 674.755 1.211 0 50 KDAA COCCC[C@@]1(C(=O)N2CCOCC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857699373 OGYOIDZEHFUGJN-PMERELPUSA-N 563.655 1.789 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCc1nnnn1-c1ccccc1)C2 1857704868 IUKKCIDKUSRUSB-HKBQPEDESA-N 604.712 1.311 0 50 KDAA C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2coc(n2)[C@@H](Cc2ccccc2)NC(=O)c2cc(on2)CN(C(=O)c2ccccc2)CCNC1=O 1857740362 GJCPDNLJVLMEQL-ABNZCKJZSA-N 657.684 1.133 0 50 KDAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(C(=O)Cn2nc(C)c3ccccc3c2=O)CC(=O)N[C@H]1C 2356162238 CPYRNSQTZRXCDY-DUAIZULJSA-N 607.664 1.435 0 50 KDAA COC(=O)CNC(=O)CNC(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1 100814634 CFHDKMPMUFCZIC-JOCHJYFZSA-N 542.589 1.784 0 50 KDAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O 110715659 POILRVKYUGIPHY-UHFFFAOYSA-N 629.741 1.152 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3ccc4c(c3)CCO4)C[C@@H]1CC(=O)NCCN(C)C2=O 952865946 YLLVZQLJNAGXIJ-NZQKXSOJSA-N 560.611 1.706 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CCC(=O)c2ccc(F)cc2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704318593 PNWDYJWTCNDRTF-YKCNMNDFSA-N 680.778 1.015 0 50 KDAA COc1ccc(OC)c(S(=O)(=O)N2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)c1 1772714007 YFOHMYJTMLUHKW-PPJWLVRDSA-N 726.857 1.386 0 50 KDAA COCCCNC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cnc(C)nc2)CCNC(=O)COc2cc(ccc2OC)C1 1857690829 NMQFVYKMGVXGQP-MGBGTMOVSA-N 638.766 1.823 0 50 KDAA COc1ccc2cc1OCC(=O)NCCN(C(=O)c1cnc[nH]1)CCCC(=O)NC[C@@](CC1CC1)(C(=O)NC1CCC1)C2 1875241560 UELUTAQRSCKEKJ-HKBQPEDESA-N 594.713 1.963 0 50 KDAA CS(=O)(=O)N1CCC(c2cn([C@H]3C[C@H](C(=O)N4CCc5c(C(=O)O)ccc(F)c5C4)C3)nn2)CC1 1875324611 FQBCPKJZWCADRA-WKILWMFISA-N 505.572 1.790 0 50 KDAA C[C@H](CCC(=O)NCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 118912753 URJQSMIFSMHWSP-VVHBOOHCSA-N 572.765 1.484 0 50 KDAA in-vitro CC(=O)N[C@H]1[C@H](Oc2ccc3c(c2)Oc2cc(O)ccc2[C@@]32OC(=O)c3ccccc32)O[C@H](CO)[C@@H](O)[C@@H]1O 137203825 YHERABVROCVWLO-DDMGVCGZSA-N 535.505 1.283 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253531033 NOKCKQRHADLYOG-ONNWQCEZSA-N 565.572 1.398 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 253531035 NOKCKQRHADLYOG-VYKNZLCBSA-N 565.572 1.398 0 50 KDAA COc1ccnc(C(=O)N2CCCNC(=O)Cn3nc(C)nc3[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)CCC2)c1 1772702756 VHJBHSAZAYVKHO-IRPSRAIASA-N 618.739 1.973 0 50 KDAA CC(=O)c1c(C)nn(CCC(=O)N2CCCC(=O)NCCNc3ccnc(c3)C(=O)N[C@@H](Cc3ccccc3)C(=O)NCC2)c1C 1857739038 AOSMPGJWPOGGOX-NDEPHWFRSA-N 630.750 1.796 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)Cc3cnc4c(C)cccn34)C[C@@H]1NC2=O 952857436 GZBGVXWZOOTWAC-URXFXBBRSA-N 531.573 1.404 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(Cc3nc4ccccc4[nH]3)CC2)Oc2ccc(cc2)OCCNC1=O 1772702898 BEYYEONYOINKOK-IFDYJGHISA-N 697.793 1.194 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(S(=O)(=O)N(C)Cc3ccccc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772714558 WZLARKWZEMLMCB-IUEKTVKYSA-N 734.876 1.522 0 50 KDAA COCCC[C@@]1(C(=O)N2CCC(C(N)=O)CC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857702585 DHEGQYKVIAZYQI-YTTGMZPUSA-N 604.708 1.654 0 50 KDAA Cn1nc(C(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]3C[C@@H](NC(=O)c4cc5ccccc5s4)CN3C2=O)c2ccccc21 1857706254 MOMHZORADUCREU-GIQJJWITSA-N 687.779 1.936 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)c2cc(S(N)(=O)=O)ccc2F)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533069 YFIIVDIWGTYRMZ-RUZDIDTESA-N 614.700 1.909 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3cc(C)nn3C)C[C@@H]1NC2=O 2356160528 WNLPOWJLEGZFAZ-DFBJGRDBSA-N 549.584 1.456 0 50 KDAA CN(Cc1cccc(OCCN2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)CC2)c1)C[C@@H]1CCC(=O)N1 12279052 NVXFIVPMXFNSEZ-QHCPKHFHSA-N 521.662 1.801 0 50 KDAA C[C@H]1O[C@@H](O[C@H]2CC[C@]3(CO)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C[C@H](O)[C@@H]1O 252346933 KISYRRMFQYIIFQ-FETDUAMYSA-N 536.662 1.573 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)Cn2ncc3ccccc32)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713330 DAABOKBYMILPFP-CLCZQPDDSA-N 684.802 1.556 0 50 KDAA C[C@H](C(=O)N1CCCNC(=O)c2ncccc2OCCNC(=O)CCC1)N(c1ccccc1)S(C)(=O)=O 1857705261 ZWSKMAMOCVZEQA-LJQANCHMSA-N 531.635 1.174 0 50 KDAA O=C1CN(C(=O)C2CC2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1875241532 FEIDLVPVKOXBHA-DEOSSOPVSA-N 545.644 1.581 0 50 KDAA COC(=O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[C@H](C)O 252327527 LZGFTUHZKYUTCB-MPKDPQEWSA-N 577.634 1.996 0 50 KDAA C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 253504924 GHUUTEXYFBCKSM-FASZIISRSA-N 738.912 1.361 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)Cc2c(F)cccc2Cl)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704318843 RQZJTKNQWZROOZ-OCKSICBNSA-N 702.224 1.604 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CCc2nc(-c3ccccc3F)no2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704323023 SFYTVCGGJSWKJZ-YKCNMNDFSA-N 720.803 1.035 0 50 KDAA CS(=O)(=O)CCC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713530 OXMGEINJSFSFKW-DQEYMECFSA-N 571.652 1.307 0 50 KDAA 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]6CC[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[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 1857526206 YFGQJKBUXPKSAW-MBIYJQEBSA-N 969.128 1.642 0 50 KDAA COCC[C@]1(C(=O)NC2Cc3ccccc3C2)CNC(=O)CCCNCCCNC(=O)COc2ccc(cc2)C1 1940194795 RUFGEZMEQIBMCQ-WJOKGBTCSA-N 550.700 1.920 0 50 KDAA CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)Cn2nc3ccccc3n2)C1 14742066 ZVDIDTXVLIKRRP-JOCHJYFZSA-N 506.607 1.598 0 50 KDAA O=C1N[C@H]2CN(C(=O)Cc3cc4c(cc3Cl)OCCO4)C[C@@H]2OCc2cn(nn2)CCOc2cccnc21 952865852 WWBATGLFJNWGRU-AVRDEDQJSA-N 540.964 1.259 0 50 KDAA Cc1ccc2c(c1)C(=O)NCCN(C(=O)C[C@H]1C(=O)NCCN1Cc1ccc(F)cc1)CCCC(=O)NCCO2 1857705202 XPHPDQPKEWNVFB-DEOSSOPVSA-N 553.635 1.372 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(=O)c2ccc3ccccc3c2O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 253476093 YRCXXSRBHWKKJC-JMNORXHVSA-N 517.487 1.358 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(S(=O)(=O)c3cc(C)sc3C)C[C@@H]1NC2=O 952864245 NEPYXCBYZNBVMA-RXVVDRJESA-N 533.632 1.746 0 50 KDAA COc1ccc(CC(=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)cc1OC 1704322080 FDQITOIXGNDXMK-JXXDWEOVSA-N 635.762 1.453 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)CCc2ccccc2)C[C@@H](c2ccccc2)NC1=O 1704329049 SIWHMQWAAFBMOH-QPUNSIDKSA-N 678.790 1.994 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(Cc1cn(CCO)nc1C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772704070 FZTDHVGBCLEDNB-OFSOJUDTSA-N 621.787 1.427 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1cnn(-c3ccccn3)c1C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857741409 QWUNMPWOWVILPG-PWUYWRBVSA-N 740.818 1.596 0 50 KDAA Cc1cn(CC(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)c(=O)nc1O 952864472 WIACAOVSGGMRTM-NSOVKSMOSA-N 633.702 1.509 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)COc2cccc(c2)[C@H]2CN(Cc3ccncc3)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC2CC2)C1=O 1704321617 CBLYROVFUHVKIZ-JHCMFPCLSA-N 668.795 1.390 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)CCc3nc4ccccc4[nH]3)C[C@@H]1CC(=O)NCCN(C)C2=O 1704324035 USOYKCRZOAMKOF-YADARESESA-N 586.653 1.966 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(Cc3ccccc3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713986 WALAJNHGVJAWRB-VCOLMLNVSA-N 671.795 1.707 0 50 KDAA O=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)C1=NC2=NS(=O)(=O)c3ccccc3N2N1 2325871634 STFSWEWAWMLBRX-UHFFFAOYSA-N 515.577 1.358 0 50 KDAA CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](C)n3nc(C(F)(F)F)c(Br)c3C)[C@@H]2SC1 226595937 OQNVHIFZVHJAFW-GJCVFUNYSA-N 555.329 1.836 0 50 KDAA CC(=O)O[C@H]1C2=C(C)[C@H](OC(C)=O)C[C@@](O)([C@H](OC(C)=O)[C@@H]3[C@]4(CO4)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]3(C)[C@H]1OC(C)=O)C2(C)C 256764287 LUTPIRPNUNHFEV-PJTJHMMXSA-N 652.690 1.863 0 50 KDAA biogenic COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)[C@H]1CCCO1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952859415 WUOSNIUUIAFWJM-AHKZPQOWSA-N 590.681 1.777 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952864177 MHQXXHBBVOFTCP-GASGPIRDSA-N 686.810 1.865 0 50 KDAA CSc1ncccc1C(=O)N[C@H]1Cc2ccc(cc2)OCC(=O)NCCN(C)C(=O)[C@H](CC(C)C)NC(=O)CCCNC1=O 1704322653 KWVPOJVOZAHMBQ-DQEYMECFSA-N 626.780 1.539 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3cccn(Cc4c(Cl)cccc4Cl)c3=O)C[C@H](CNC1=O)O2 1857707885 OGKUPDYLKVWHNO-NRVUPYDWSA-N 739.657 1.870 0 50 KDAA COc1ccc2cc1OCCCN(c1cc[nH]c(=N)n1)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533325 KKYHWUVEHOBFQK-QHCPKHFHSA-N 570.654 1.894 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)Cc1csc(C)n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952865518 ZJHKEZBHMKEKOD-OTEOEGHSSA-N 716.902 1.656 0 50 KDAA CN1CCN(CC(=O)N2CC[C@]34C(=O)N(CC(=O)NCCCOc5cccc(c5)[C@H]23)c2ccccc24)C1=O 952868442 OSPZOTRDOYFTMK-LBNVMWSVSA-N 517.586 1.511 0 50 KDAA Cc1cccc(C)c1CN1C[C@H]2CC(=O)NCCN(C)C(=O)c3cccn(c3=O)Cc3cn(nn3)[C@H]2C1 1616107709 CNRSOARDSPGJMP-YKSBVNFPSA-N 503.607 1.370 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2cn(-c3ccccc3)nn2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704318684 QYGNJIFLHBZGOP-GEHYGMCHSA-N 662.817 1.334 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(S(=O)(=O)Cc2ccccc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713146 AGQISODFDRPMAM-GDKKVTFASA-N 652.774 1.513 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(on2)CN(C(=O)[C@@H]2CCCO2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714043 XKZVNVDEPVTGHX-KWOQKUFVSA-N 606.684 1.592 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)CCn1cnnn1)CC(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc-2oc1C 1775979218 GVYDVCMOOCRURN-HSZRJFAPSA-N 602.652 1.690 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)c3ccncc3Cl)CN2C(=O)[C@@H](NC(=O)CCOc2ccccc2)CCCCN1 1857706217 LAJMWIHOMSUQFF-RYCFVGSHSA-N 657.124 1.038 0 50 KDAA Cc1noc(C)c1S(=O)(=O)N1CCCC(=O)NCCNc2ccnc(c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC1 1857741242 KIMLCDHKFXMYRY-DEOSSOPVSA-N 597.698 1.157 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(C)=O)c(OC)c1 2709324 LRXLTPMROXTZJP-RKKARLDVSA-N 533.562 1.689 0 50 KDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)Cc1ccc(O)cc1 71766838 UXCUYXDJYCOPDL-SDHSZQHLSA-N 521.570 1.301 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 150663654 OJVHDCHVHOISBO-MMXCIQNPSA-N 728.722 1.398 0 50 KDAA CC(=O)O[C@]12CO[C@@H]1C[C@H](O)[C@]1(C)C(=O)[C@H](O)C3=C(C)[C@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@@H]12)C3(C)C 245190607 YWLXLRUDGLRYDR-XEZDBOFKSA-N 544.597 1.082 0 50 KDAA biogenic COc1cccc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)c1OC 263586229 RMFKOAZRDBNMJJ-PKOBYXMFSA-N 508.575 1.564 0 50 KDAA biogenic CCN1CC(=O)N[C@H]2CN(C(=O)CN3CCOCC3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952857452 YYWJMZOHFUCLAQ-SVBPBHIXSA-N 550.656 1.818 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)CCc3c(C)nn(C)c3C)C[C@@H]1NC2=O 952858043 UCYINMAZAKFXBI-URXFXBBRSA-N 523.594 1.188 0 50 KDAA Cc1nc2sccn2c1C(=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 1704317929 LESGXOCDLPFIIA-FVJFVQOASA-N 749.920 1.939 0 50 KDAA 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)no1 1704324774 SWJCAHINTUEDTI-BFBLZOHCSA-N 638.766 1.973 0 50 KDAA O=C1COc2cc(C(=O)O)cc(c2)C(=O)N[C@H]2CN(C(=O)C3CCOCC3)C[C@@H]2Oc2ccc(cc2)CN1 1772702125 UTTVEWWEWSGGQK-GOTSBHOMSA-N 523.542 1.208 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)CCCN2CCCC2=O)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704316976 FOLXDDKDCQNLFQ-JPHFWNGBSA-N 791.976 1.835 0 50 KDAA CCc1oc(C(=O)N[C@H]2CCCNC(=O)CN(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC2=O)cc1CN1CCCC1 1704319607 YFYTWZHUSZJUHF-WYUKLCAOSA-N 707.873 1.278 0 50 KDAA CCOC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cc2c(cc1Br)OCO2 12413411 QDMVYAQSVSSBMW-UHFFFAOYSA-N 511.354 1.628 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CN2CCCC2=O)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817070 GDVDVTAJIZDCHH-FNZWTVRRSA-N 621.720 1.853 0 50 KDAA Cc1cccc(N(CC(=O)N2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)S(C)(=O)=O)c1 1772817935 JSDUSNCUUGDMBW-IWVFXYMLSA-N 751.911 1.281 0 50 KDAA CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@@H]1[C@@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@]2(O)[C@@H](OC)C[C@@]4(O)[C@H]1[C@H]2OC(=O)c1ccc(OC)cc1 1772820408 DHVYLCVNTWPXSI-ZSQVVGEPSA-N 617.736 1.115 0 50 KDAA CCn1c(S[C@@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2NC(C)=O)nnc1-c1ccncc1 334160905 OJEBQBHXKXOIPU-RHFRXIPYSA-N 535.579 1.108 0 50 KDAA CC(C)=CCN1CCC2(CC1)CNC(=O)[C@@H](C(C)C)NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc1cccc(c1)C2 952855846 HLFDOXMPEHHDCT-OTEJSBPHSA-N 613.800 1.639 0 50 KDAA CCOc1ncccc1C(=O)N1CCCNC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CCC1 1704328033 WHMNMBAGCYZSHG-RDPSFJRHSA-N 553.660 1.806 0 50 KDAA Cc1ccc2c(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)cnn2c1 1772713205 CSRKSGVAZRKZFN-MEIPAHJSSA-N 645.761 1.519 0 50 KDAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(S(C)(=O)=O)CCNC(=O)COc2cc(ccc2OC)C1 1857702134 AXXGPPQSLNWCBK-AREMUKBSSA-N 553.678 1.254 0 50 KDAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)CCCn4cncn4)C3)CN2C1=O 2100533428 OOHMRDCRLDTWBT-PKSHOOMXSA-N 563.703 1.540 0 50 KDAA Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1 59620374 NAFWMADSTBGBMT-PSWAGMNNSA-N 562.714 1.542 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](Oc2cccc(OC(C)=O)c2C(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 100815778 NFBYQOQQDWPIBN-MENZVKOBSA-N 524.475 1.276 0 50 KDAA C[C@@H]1N[C@]2(C(=O)N(CC(=O)N3CCOCC3)c3ccccc32)[C@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]12 247968371 RGAWAAOOJBIBGY-GHFBWSRJSA-N 508.962 1.538 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)C2(C(N)=O)CC2)CCCCNC(=O)[C@@H](C)NC1=O 1704317257 GQQPINLVGBRVSQ-KEKPKEOLSA-N 646.789 1.567 0 50 KDAA CC(C)=CCN1CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC1 1704319630 YWHOYTDIQJNBFU-KTIWRFAQSA-N 527.710 1.928 0 50 KDAA CC(C)C[C@@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)CCNS(C)(=O)=O)CCNC(=O)c2csc1n2 1772713933 XLXSSXIQJCNTNV-SFTDATJTSA-N 659.791 1.560 0 50 KDAA Cc1nn(C)cc1C(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](C(C)C)NC1=O 1857705534 LJOOLSABQQSGCL-DETITRACSA-N 655.760 1.855 0 50 KDAA O=C1CCCN(C(=O)c2cscn2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857739906 YHKBNXPWEAGAAT-QFIPXVFZSA-N 549.657 1.460 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3scc4c3OCCO4)C[C@@H]1CC(=O)NCCN(C)C2=O 952863481 PLHGVYVKIWXUMN-QFBILLFUSA-N 582.639 1.604 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CCN(Cc3ccc4c(c3)CCO4)CC2)CNC1=O 952864857 RFQIEHNKSOJVQZ-YGVXONAESA-N 677.843 1.808 0 50 KDAA O=C1NCCCN(C(=O)CCS(=O)(=O)c2ccccc2)CCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 1875241533 FINFECWCBIVHGI-RPFOIHMYSA-N 550.681 1.925 0 50 KDAA CC(C)[C@@H]1NC(=O)c2cc(-c3ccc4c(ccn4C)c3)ccc2OCCNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](C)NC1=O 2100533152 CEZVYKXOASXENL-JBIYOUNMSA-N 575.666 1.575 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4ccc[nH]4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533307 JUNBLPQEZHFCQC-GQKBUPLISA-N 505.619 1.720 0 50 KDAA COC(=O)[C@@H]1O[C@H](OCC(=O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)[C@@H](O)[C@H](O)[C@H]1O 257348789 IVTQNSRENYRSBR-CYQVOCDPSA-N 524.651 1.573 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1cn3ccc(C)cc3n1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952862326 OAYSUKROJYPYIU-PITFEWNVSA-N 735.883 1.918 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)CCC2CCCC2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704319567 XEKOQSHVXTVWRX-YPAVNQPMSA-N 682.863 1.221 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)COc2cccc(c2)[C@H]2CN(C(=O)c3cccnc3)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC2CC2)C1=O 1704324309 NFYOZONYOSRVEX-RXSCUPRHSA-N 682.778 1.030 0 50 KDAA C[C@@H]1NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)C2CCCCC2)C[C@@H](c2ccccc2)NC1=O 1704334451 JATBLXHWNBKGNZ-BOAFFTEWSA-N 656.784 1.942 0 50 KDAA O=C1CCCN(C(=O)c2cnnn2-c2ccccc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857741478 UVDIVTVAPPTCEE-MHZLTWQESA-N 609.691 1.584 0 50 KDAA CC(C)(C)OC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc2c1CN([C@H]1CCC(=O)NC1=O)C2=O 2325898871 AYSPWKCLTSTGOO-PMACEKPBSA-N 543.598 1.385 0 50 KDAA NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 253370062 LNEUAIUQRAFMSN-QIJUGHKUSA-N 549.671 1.786 0 50 KDAA Cc1nc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N2)nc2c1CCCC2 952863410 ITHZDVRCSUDLOV-SDIAACPYSA-N 647.777 1.036 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704324818 VEZPUQROPVHBBT-VVLRAHEASA-N 749.887 1.062 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CCn2cnc3ccccc32)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713809 SVLVJKNZGZHNQD-BXTSTYNKSA-N 698.829 1.946 0 50 KDAA O=C1CCCN(C(=O)Cn2cnc3ccccc3c2=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857740840 OVUCFZPGMWMOMK-NDEPHWFRSA-N 624.702 1.100 0 50 KDAA Cc1cc(C(=O)N2CCCCNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(n3)NCCNC(=O)C2)no1 1875240425 RZCSQFYUEGHQHY-DEOSSOPVSA-N 586.653 1.781 0 50 KDAA CCOc1ccc(Cn2c(SCC(=O)N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC 720782 KNWYTGWFFMKLTI-UHFFFAOYSA-N 517.608 1.230 0 50 KDAA NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 14951658 ZEXLJFNSKAHNFH-SYKYGTKKSA-N 610.715 1.675 0 50 KDAA endogenous,in-man C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O 255219109 IAGSHEHQJJTLLR-YJDNEIJNSA-N 883.082 1.984 0 50 KDAA COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](NC(=O)N3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(C)C)CC2)cc1 263586246 RQRGENXAQWWVTN-UZINWLIJSA-N 571.700 1.543 0 50 KDAA biogenic CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N(C)Cc2n[nH]c3c2CCCCC3)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952861975 JQSQYHAZSHINQA-UNHVDRLTSA-N 649.793 1.393 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704330145 XAYDYCQZLIQLOY-FNZWTVRRSA-N 590.681 1.259 0 50 KDAA C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 1772820014 MMTWXUQMLQGAPC-AWTANZEUSA-N 740.928 1.442 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)C(C)C)CCNC2=O 2100533690 FEIQOJKJPIQFBU-NRFANRHFSA-N 546.713 1.122 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)CN(Cc2cccnc2)CCCOc2cccc(c2)-c2nccn2CCCNC1=O 2356160309 MCWAVDFESGWDDU-NLFFAJNJSA-N 506.607 1.602 0 50 KDAA Cc1cc2cc(C(=O)N[C@H]3CCCNC(=O)CN(C)C(=O)[C@H](Cc4ccccc4)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC3=O)ccc2o1 1704317440 IELLZZPSVDEBBW-BAECYATFSA-N 660.772 1.581 0 50 KDAA Cn1cnc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)c1 1772713510 KBVLIYAXZISTMU-AHWVRZQESA-N 545.596 1.920 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(S(=O)(=O)c1ccc3c(c1)c(=O)n(C)c(=O)n3C)CCNC2=O 1875251662 XGEOGHJREXNEPP-WJOKGBTCSA-N 744.831 1.831 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)[C@H]2CCCO2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533369 LYRKICMZYYAIOD-DHIUTWEWSA-N 511.623 1.987 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4cccnc4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533991 OOJXPTQRUICKSO-HKGUVJOISA-N 517.630 1.787 0 50 KDAA CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(N)c(Cl)c1)C(C)(C)C 3963010 SJDDOCKBXFJEJB-MOKWFATOSA-N 509.003 1.852 0 50 KDAA in-man CC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@H](C)C(=O)N[C@H](CC(=O)O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C 256013133 YGLOALWHJIANIH-DAWVAOFFSA-N 665.700 1.098 0 50 KDAA CCc1c(C)nn(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3cc(on3)C2)c1C 1772701850 PEGTVAZTPAWOTH-IFDYJGHISA-N 696.809 1.782 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3ccccc3-n3cncn3)CCCC1=O)C2 1857726379 OBWGETFARGHFHO-QFIPXVFZSA-N 603.728 1.467 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(c1nccc(=N)[nH]1)CCNC2=O 1875240356 BCQZEWCLDKYWSU-GOSISDBHSA-N 557.615 1.662 0 50 KDAA CCOC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)C[C@H](O)[C@]4(COC(C)=O)[C@@H]3[C@H](OC(C)=O)C[C@@]12C 257349980 TVKZNMSOZWTGQU-UBAAWCOMSA-N 554.633 1.426 0 50 KDAA CCCCC[C@H](O)[C@@H]1C(=O)O[C@H](C)[C@H](O)/C=C/C=C/C=C/C=C/C=C(/C)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H]1O 257354994 IMQSIXYSKPIGPD-WSQQZELWSA-N 654.838 1.888 0 50 KDAA Cc1noc(C)c1CC(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1772701370 FKYHPSLGONEDKE-JYUFKMNQSA-N 688.782 1.520 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(C(=O)CCc3nc4ccccc4s3)CC2)Oc2ccc(cc2)OCCNC1=O 1772702567 CTQRSEHFIGHRSD-RVQNBHMFSA-N 756.882 1.887 0 50 KDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC2=O 1772702915 XEUIPYRBNKIUHW-WCUSUSPOSA-N 766.852 1.851 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)Cn3cccnc3=O)C[C@@H]2Oc2ccc(cc2)CN1 1772714052 ZTVABKVBAIEEIE-UIOOFZCWSA-N 573.606 1.129 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)C(C)(C)OC)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1800430766 YSKPENGLDFXSJR-CYFREDJKSA-N 572.707 1.946 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cocn1)CCCNC2=O 2356135075 OVPPYGGPVHCESS-QHCPKHFHSA-N 539.593 1.751 0 50 KDAA CCN(CC)C(=O)CO[C@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)Cn2nc3ccccc3n2)C1 14742067 ZVDIDTXVLIKRRP-QFIPXVFZSA-N 506.607 1.598 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(C(=O)c2ccncc2)CCNC1=O 952865125 NXNZFPXTQUXSCD-HSZRJFAPSA-N 537.596 1.850 0 50 KDAA CC(C)C[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCNC1=O 1704316917 BQPNGSMXKKPPKL-HGMGHHOWSA-N 725.247 1.274 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)C1(CCCC1)NC2=O 1704323026 NUNOINWUDBFODU-RMXYQJDTSA-N 647.733 1.021 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)c2ccncc2)CCCNC1=O 1704330448 CJRFPWPIOYAWNC-LJGDZFJRSA-N 564.687 1.197 0 50 KDAA COc1ccc2cc1OCCCNC(=O)[C@H](C)N(C)C(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1772713107 DDSLYHKVOBONOY-RXVVDRJESA-N 510.591 1.288 0 50 KDAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(C(=O)C2CCOCC2)CCCNC(=O)COc2ccc(cc2)C1 1857700742 KXWAXYXPJCSTGX-PMERELPUSA-N 575.703 1.865 0 50 KDAA COCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2coc(n2)[C@@H](CC(C)C)NC(=O)c2cc(on2)C1 1857741336 NWZWEBLMMVCLDP-RBBKRZOGSA-N 566.615 1.626 0 50 KDAA O=C(CC[C@@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NC[C@H](O)COc1ccc2c(c1)CCC(=O)N2 2325872577 DTNAIOISTYSOKY-PXNSSMCTSA-N 500.939 1.986 0 50 KDAA O=C1c2cccc(c2)S(=O)(=O)NCC=CC[C@]2(CNCCO2)C(=O)NC[C@@H]2CN1C[C@H]2c1ccccc1 2325894033 LZOITWKKPICMTC-SHQBLQIYSA-N 524.643 1.255 0 50 KDAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3nn(C)c(=O)c4ccccc34)cc2)nc(OC)n1 2922842 STQBESBIWHLGJY-UHFFFAOYSA-N 510.532 1.723 0 50 KDAA Cn1c(=O)c2c(nc(Sc3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccc(F)cc3)n2Cc2ccc(F)cc2)n(C)c1=O 5358228 DHHPJYRSYXPMIS-UHFFFAOYSA-N 606.615 1.707 0 50 KDAA CCOC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@H]3[C@H](OC(C)=O)C[C@@]12C 257348001 AMRMTJOEQNHFBE-DBVKYTMUSA-N 596.670 1.996 0 50 KDAA COc1cc(CC2(CN3C[C@@H]4C[C@H](C3)c3cccc(=O)n3C4)C(=O)N(C)C(=O)N(C)C2=O)cc(I)c1O 263585607 KPTJPGDTFBINCW-DLBZAZTESA-N 620.444 1.866 0 50 KDAA biogenic CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C2CCN(Cc3ccco3)CC2)C[C@H](Cc2ccccc2)NC1=O 1704322669 OIOLNGDMHSNYKC-ZCNVUBGVSA-N 620.795 1.924 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2cn(-c3ccccc3)nn2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713505 KAYLBLYSFHHMGP-GDKKVTFASA-N 669.743 1.404 0 50 KDAA CCN1C[C@]2(COC)CC[C@H](O)[C@@]34[C@H]2[C@@H](O)[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@H]1[C@H]2OC(=O)c1ccccc1 1772820217 DQTNVONSIQDYGN-IWLXBXICSA-N 527.658 1.713 0 50 KDAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2cnn3ccn(C)c23)CCCNC(=O)COc2ccc(cc2)C1 1857704019 ACZLAQQGIDKIKH-WJOKGBTCSA-N 610.712 1.739 0 50 KDAA Cn1cc(CC(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)/C=C/c4ccccc4)C(=O)N3C2)c2ccccc21 1857740327 NNXCNJOVEHYQTA-FXZNNEFNSA-N 670.767 1.654 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)Cn1nc(C)c3ccccc3c1=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740340 FPDHKIKKMACJMU-SETSBSEESA-N 755.829 1.112 0 50 KDAA CC(C)CCN1C(=O)CN(C(=O)c2c[nH]c(=N)nc2-c2ccccc2)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857741189 HONGUVWZLNVYGK-HSZRJFAPSA-N 629.766 1.756 0 50 KDAA Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C 4396151 DLMSSSQJGLDVPL-UHFFFAOYSA-N 510.396 1.966 0 50 KDAA CC(=O)OC[C@@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O 96086252 PBFGAFDJVQAMRS-MNPNNVDDSA-N 805.783 1.034 0 50 KDAA CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@H](CCSC)C(N)=O)C(C)C 98052863 FMBGOORJEKQQLG-JUZZZACGSA-N 856.129 1.187 0 50 KDAA in-vitro 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]6CC[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[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 254514835 YFGQJKBUXPKSAW-XDSOWQQVSA-N 969.128 1.642 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)CCc3ccccc3)CN2C(=O)[C@H](C(C)C)NC1=O 952862889 SANFWNHTWOPNTL-FADNGTKDSA-N 692.883 1.850 0 50 KDAA CCn1nc(C)c(C(=O)N2C[C@@H]3c4cccc(c4)OCC(=O)N[C@@H]([C@@H](C)O)C(=O)N(CC4CC4)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H]3C2)c1C 1704321361 KMRLJYJZUGKPJE-XBAJDOGRSA-N 727.863 1.468 0 50 KDAA COCCn1ccnc1CN1CCCCNC(=O)[C@@H]2C[C@@H](CN2)Oc2ccc(cc2OC)CCC(=O)NCCC1 1704322681 OVCYBHAWKLTJNW-ZEQRLZLVSA-N 556.708 1.499 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CCCn2cncn2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857702020 WKWJTLMPWVPSGB-DCABOPQKSA-N 670.775 1.571 0 50 KDAA O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)NS(=O)(=O)Cc1cccc2ncccc12 1875321995 FFBPDSRLDBHACC-UHFFFAOYSA-N 548.618 1.633 0 50 KDAA CCN(CC)C(=O)CO[C@@H]1CN(CCc2ccccc2)C(=O)CN(C(=O)Cc2ccc(N3CCNC3=O)cc2)C1 101874067 OWDOUDLAXDTGJU-AREMUKBSSA-N 549.672 1.926 0 50 KDAA O=C1CCNC(=O)C2(CCN(C(=O)CCCn3cnnn3)CC2)Cc2cccc(c2)Oc2ccc(cc2)C[C@@H](C(=O)O)N1 952856200 AHJKASLEJWAIEM-VWLOTQADSA-N 589.653 1.729 0 50 KDAA Cc1nc(C)c(CC(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)c(O)n1 952861834 IBEHGFXMRAXVPJ-XMMPIXPASA-N 596.664 1.497 0 50 KDAA C[C@@H]1NC(=O)CCCN(C(=O)c2n[nH]c3c2CCC3)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1704321094 BMTYDVZVUFFABS-GAJHUEQPSA-N 533.633 1.354 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704332550 RWBNUFFPZWNINT-OXWNUDICSA-N 664.848 1.429 0 50 KDAA Cc1cccc(N(CC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)S(C)(=O)=O)c1 1772714249 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CC(C)[C@@H]1NC(=O)CN(C(=O)CCO)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817260 ADPBSUDJDCLWDR-MBSDFSHPSA-N 568.656 1.613 0 50 KDAA Cc1c(C(=O)N2CCCCNC(=O)[C@H](Cc3cnc[nH]3)NC(=O)c3cccc(c3)OCCNC(=O)C2)cnn1-c1ccccn1 1857739687 OKUAEIROHRMULK-SANMLTNESA-N 613.679 1.187 0 50 KDAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(=O)O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 2704597 RVDNLGOMRQIRTF-VFJWVMJUSA-N 533.562 1.608 0 50 KDAA C[C@H]1CC[C@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 255273352 VNONINPVFQTJOC-SXCAMOPPSA-N 869.055 1.242 0 50 KDAA C[C@@H]1NC(=O)c2cc(on2)CN(C(=O)CN2CCCCCC2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772714294 JUSCOERTGICYAL-LQJQRVQGSA-N 671.799 1.582 0 50 KDAA COC(=O)[C@@H](O)[C@@H]1[C@@]2(C)[C@H]3CC[C@]4(C)C(=CC(=O)O[C@H]4c4ccoc4)[C@@]34OC(=O)[C@]3(O)[C@@H]4[C@@]2(O)C[C@]13C 1772820143 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Cc1ccc2nc(C)c(C(=O)N[C@H]3C[C@H]4C(=O)N[C@@H](C)C(=O)N[C@H](c5ccccc5)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N4C3)cc2c1 952865052 MZANZSSCOMBLFS-VOKUGIOESA-N 713.836 1.325 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cc(C)on3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321968 FSFWTZQLDBEUEI-IQMDFIRISA-N 612.728 1.351 0 50 KDAA COc1ccc(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)cc1F 1772702175 QAWPOJRDTFFSHI-VVZHRXSXSA-N 678.766 1.968 0 50 KDAA Cc1ccc2cc1OCCNC(=O)CN(C(=O)c1c(-c3ccccc3)noc1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 1857708778 MULTTZATZHRJSO-CJAUYULYSA-N 563.611 1.205 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3ccccn3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323283 FQZLQHJDJXTNCY-LBNPDIFZSA-N 622.767 1.938 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cnn(Cc3ccccc3)c2)Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C1=O 1772700365 CHNYIWOJQRSTNF-CTZUUEIXSA-N 671.799 1.808 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)C2Cc3ccccc3C2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772817016 DPPSOVLUJRVSBZ-CTVOUCONSA-N 670.815 1.921 0 50 KDAA Cc1ccc2c(C(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)Cn4nc(-c5ccccc5)nc4[C@H](C)NC(=O)[C@H](CO)NC3=O)cnn2c1 1857701581 RABQHGUGKXEDOT-FAQZDJIUSA-N 679.738 1.105 0 50 KDAA Cc1ccc(C(=O)N[C@@H]2C[C@H]3C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c4ccccc4C(F)(F)F)C(=O)N3C2)cc1N1CCNC1=O 1857705057 QNYAMFAGRQJQTO-BQXMOOCUSA-N 743.740 1.691 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(Cc3cnn4c(C)cc(C)nc34)C[C@@H]1CC(=O)NCCN(C)C2=O 952858967 KNZQPXYSMUUVTL-GBXCKJPGSA-N 573.658 1.790 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(Cc2ccc(OCC(=O)N3CCOCC3)cc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772700583 ASMPJGUQNGCSDP-RJHDZTQMSA-N 731.851 1.421 0 50 KDAA COc1ccc2c(c1)OCCNC(=O)CN(S(=O)(=O)c1ccc3c(c1)OCCCO3)CCCNC2=O 1857690850 OKALIFSHDWBMLT-UHFFFAOYSA-N 519.576 1.176 0 50 KDAA CON(C)CCN(C(=O)[C@H]1CCC(=O)N1)[C@H](C(=O)NCC(=O)N(C)C)c1cc(-c2ccccc2)cs1 2325823522 VUYNKQAQZRTHFM-XXBNENTESA-N 515.636 1.261 0 50 KDAA NS(=O)(=O)c1ccc(NC(=O)CN2CCC[C@H](NC(=O)c3cc4c(C(=O)O)cccc4o3)C2)cc1 2325899426 DJYMIFYXMLXSTD-HNNXBMFYSA-N 500.533 1.611 0 50 KDAA CCN1C[C@@]2(COC)[C@H](O)C[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 253387907 LLEMSCWAKNQHHA-RWHLGACXSA-N 659.773 1.686 0 50 KDAA biogenic CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccn2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704317117 GITXRQXOBALCJM-VDEDJVCCSA-N 672.783 1.054 0 50 KDAA Cc1ccnn1CCC(=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 1704325195 ZSRUOSPUYPDCOH-LWYAIONJSA-N 721.885 1.203 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2-c2nc[nH]n2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704341186 QWMLCTQYIUFEBU-ZGYLAXOKSA-N 782.903 1.076 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(C(=O)CCc3ccc(F)cc3F)CC2)Oc2ccc(cc2)OCCNC1=O 1772713859 UNOCHBFNPQVPDK-MAPBSZMLSA-N 735.785 1.556 0 50 KDAA COc1ccc2cc1OCCN(C(=O)COc1ccc(-n3cnnn3)cc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704316697 AUUAJBZKMHCSNO-MUUNZHRXSA-N 617.667 1.091 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(C(=O)Cn3ccc4ccccc43)CC2)Oc2ccc(cc2)OCCNC1=O 1772713285 GCUIDHYYNJDAQI-YKTXNGGMSA-N 724.815 1.299 0 50 KDAA CCc1noc(C)c1C(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1775983395 LPMJKPIFJKZVTC-SQMFLSJESA-N 644.729 1.276 0 50 KDAA O=C(Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1)C(=O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1 1875350976 HADXVNWMYFDXEC-UHFFFAOYSA-N 506.548 1.333 0 50 KDAA CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)Cn2ccnc2C)CCCNC1=O 1704321985 AEHQWTSLBUERPN-VWLOTQADSA-N 582.731 1.961 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)COc1ccc(-n3cnnn3)cc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714243 HDJPPVHGCVMDOI-NSJVFKKDSA-N 685.790 1.311 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(Cc1cccnc1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857739090 CTTCJMMNGFKCCC-WNCULLNHSA-N 646.745 1.462 0 50 KDAA O=C(N=c1[nH]nc(SCC(=O)N2Cc3ccccc3C2)s1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 1857800201 BYAVZVKJLWVHFE-UHFFFAOYSA-N 545.668 1.868 0 50 KDAA CC(=O)NCCN(CC(=O)c1c(O)nc(=O)n(CC(C)C)c1N)Cc1ccc(Br)s1 2325826226 USSPAJRPUNZXOB-UHFFFAOYSA-N 500.419 1.832 0 50 KDAA O=C1CC[C@H](N2Cc3c(cccc3S(=O)(=O)N3CCC(Oc4ccc(F)cc4)CC3)C2=O)C(=O)N1 2325898877 BAPMLEAUTOMYGC-FQEVSTJZSA-N 501.536 1.819 0 50 KDAA CCN1C[C@@]2(COC(=O)c3ccccc3NC(=O)[C@H](C)CC(N)=O)CC[C@@H](OC)[C@@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC)[C@@](O)([C@@H](OC)[C@H]32)[C@@H]14 257361239 NXAZXMKMGPWXII-XMMPMGOKSA-N 699.842 1.586 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cscn1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704318761 RPURVOPCKDOSDX-JOCHJYFZSA-N 526.619 1.807 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cccn1C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714555 WXJDMWNCZWBVQY-YWEHKCAJSA-N 590.729 1.908 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cnn3ccn(C)c23)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775981293 JHRIXDIIWURNGK-FNZWTVRRSA-N 619.727 1.821 0 50 KDAA Cn1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCCCN(C(=O)CCn4cnnn4)CCNC(=O)[C@H]3C2)c2ccccc21 1875240225 NCOSGILKDFKCLQ-RPBOFIJWSA-N 570.654 1.838 0 50 KDAA CC(=O)O[C@@H]1C(=O)[C@H]2[C@]34CO[C@H](O)[C@@](C)([C@@H](OC(C)=O)C[C@@H]3O)[C@@H]4C[C@@H](O)[C@]2(C)[C@@]23O[C@H]2C[C@H](c2ccoc2)[C@@]13C 257489643 NAHTXVIXCMUDLF-PZLCIGPUSA-N 574.623 1.466 0 50 KDAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1C[C@H]2C(=O)N[C@@H](C)C(=O)N[C@H](c3ccccc3)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N2C1 952862537 AWMPHRGNCHROSM-KXUKMEJOSA-N 729.835 1.052 0 50 KDAA CN(C)C(=O)N1CCC[C@@H](C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCOc2ccc(cc2)CCNC3=O)C1 952863255 HHTCIMFFSQOUKY-HSZRJFAPSA-N 551.692 1.964 0 50 KDAA CSCCCNC(=O)[C@H]1Cc2ccc(cc2)OCC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N1 952865604 SNLRVLZELLREKG-IZIBRLFBSA-N 623.776 1.199 0 50 KDAA Cc1cccn2cc(C(=O)N[C@H]3Cc4ccc(cc4)OCCNC(=O)C4(CC4)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@H](C)NC3=O)nc12 1772705854 SKEWZHMTIOKNOL-MXSCXNJPSA-N 665.751 1.373 0 50 KDAA COc1ccccc1-c1ccc2c(c1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCCO2 2100534247 ZNDPDQNZZJTRCZ-NHGJLWFOSA-N 552.628 1.092 0 50 KDAA COc1ccnc(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)c1 1772702618 HUXDARQHFJSXHR-SGIRGMQISA-N 661.764 1.224 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(CC(=O)O)CCNC(=O)COc2cc(ccc2OC)C1 1857704506 VGYZITUBQQLAPJ-MHZLTWQESA-N 533.622 1.379 0 50 KDAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@@H](CCO3)NC(=O)CCN(S(=O)(=O)N(C)C)CCNC(=O)CC2 1857723906 BQTUPVKKBCFFEK-JOCHJYFZSA-N 560.673 1.872 0 50 KDAA C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@]45CO)C3(C)C)OC[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 299817749 RNHLYDFRRIHVAM-YUSSBOCDSA-N 913.108 1.345 0 50 KDAA biogenic,in-vitro COc1nc2c(cc1C(=O)N1C[C@@H]3C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cn3nn1)CCC2 952862264 NRECMGLDIVNYCR-MKKUMYSQSA-N 614.707 1.124 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(C(F)F)[nH]n2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714268 IJSPUISLJDTRGT-GKVQRAMASA-N 651.671 1.078 0 50 KDAA C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@H]4CC=C5C[C@@H](O)C[C@@H](O[C@H]6OC[C@@H](O)[C@@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 1848443719 SKHJNNFXCKTDBG-ALMLMGSXSA-N 708.886 2.000 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccccc3-c3nc[nH]n3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1857701584 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CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)CCOc2ccccc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713438 MAFQBIUBVMXCCR-BXTSTYNKSA-N 674.803 1.976 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3n[nH]c(O)n3)C[C@@H]2Oc2ccc(cc2)CN1 1775978005 OHJNNIZSWDYDHA-VXKWHMMOSA-N 548.556 1.010 0 50 KDAA CC(=O)N1CCOc2ccc(S(=O)(=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)cc21 2100533721 XEYNQAOJUSFFEQ-IAAUAWTHSA-N 651.786 1.686 0 50 KDAA CCCCCCCCCC(=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 261516804 CNKJPHSEFDPYDB-DQNCQMSJSA-N 921.794 1.805 0 50 KDAA CCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)NCC(=O)NCC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)ccc12 951727055 WRRALPZPVSHMKU-BSSDTTEXSA-N 527.618 1.817 0 50 KDAA Cc1cccc(OC(C)(C)C(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)c1C 952859634 ZDRJZOGOFIGBTQ-XUZZJYLKSA-N 575.670 1.554 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)COCc2ccccc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713958 VMEBWAXPPFIPQA-XTBZXYEFSA-N 646.745 1.727 0 50 KDAA Cc1cc(C(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]3C[C@@H](NC(=O)CCc4nc5ccccc5s4)CN3C2=O)no1 1857706024 GXZDTEYKIMTVRS-ANZJIFDASA-N 667.745 1.059 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)Cc1cc(C)no1)CCCNC2=O 2356134503 PPRJQMVDONTJQF-SANMLTNESA-N 567.647 1.989 0 50 KDAA COC(=O)C1=C(C(=O)OC)S[C@@](Br)(C(=O)OC)[C@](Br)(C(=O)OC)S1 4065113 NNFVUXRTJJBEKW-RYUDHWBXSA-N 508.162 1.552 0 50 KDAA CN1C(=O)N(C)[C@@]2(c3ccccc3)Nn3c(s/c(=C4\C(=O)Nc5ccccc54)c3=O)=N[C@]12c1ccccc1 33355405 XQIRFNMJKOFJIP-OUCHELEDSA-N 522.590 1.941 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 254468461 ZBYDOGVAOZEPSJ-AMWBNRJOSA-N 532.498 1.744 0 50 KDAA Cc1cc(Cn2c(=O)n(Cc3cnc(C)s3)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)n(C)n1 685965980 IFWUBRBMMNTBRZ-UHFFFAOYSA-N 514.633 1.897 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)C3CCC3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704319341 UVOIDCAGXZTYFJ-IFKAHUTRSA-N 585.746 1.541 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)COc2cccc(c2)[C@H]2CN(C(=O)c3ccncc3)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC2CC2)C1=O 1704323663 XPFLWZKCVUYTPS-RXSCUPRHSA-N 682.778 1.030 0 50 KDAA CCc1nc(C)c(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)[nH]1 1772701044 BETUKIBBUQWZQG-NQHRYMMQSA-N 620.755 1.777 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(S(C)(=O)=O)CCNC(=O)COc2cc(ccc2OC)C1 1857702135 AXXGPPQSLNWCBK-SANMLTNESA-N 553.678 1.254 0 50 KDAA CN1C[C@@H]2C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cn(nn1)CCCOc1ccc(cc1Cl)C(=O)N2 952862086 KJPANMXRKUVXQE-OYDLWJJNSA-N 566.062 1.560 0 50 KDAA Cc1nnnn1CCC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713039 AENGRLSWVLAUPA-UIOOFZCWSA-N 575.626 1.257 0 50 KDAA COC(=O)[C@H](C)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 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CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2c[nH]c3cc(C)nn3c2=O)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775977447 ILIQMFZMMRJXOA-PPHZAIPVSA-N 647.737 1.480 0 50 KDAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)[C@H]1CC(=O)Nc3c(OC)cccc31)CCCNC2=O 1857672428 CNOQFYHHMRIRFK-IBGZPJMESA-N 510.547 1.287 0 50 KDAA COCCC[C@@]1(C(=O)NCc2nnc3n2CCC3)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857703111 UFEVOUHIILWTEA-YTTGMZPUSA-N 614.707 1.785 0 50 KDAA CC(=O)N[C@@H]1[C@H](Oc2ccc3oc(=O)sc3c2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 242701921 WSIIBQIRXPPYHU-KYHREEPGSA-N 511.505 1.198 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)CN2CCCN(C)CC2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321952 JCNRRUZYYOOXLA-TWZYGINSSA-N 719.928 1.948 0 50 KDAA Cc1nn[nH]c1C(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1775980880 KDCQNJLGCWSSDM-AVRDEDQJSA-N 605.681 1.971 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cn3cccnc3n1)CCCNC2=O 2356136484 WRXFEKOCIOIFSK-VWLOTQADSA-N 589.657 1.806 0 50 KDAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccccc2)NC1=O 952869194 YJASTTOUSZPSHP-IUFAUYNMSA-N 625.726 1.646 0 50 KDAA COc1nc2c(cc1C(=O)N1CC(=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)C1)CCC2 1704321733 XNXDCRWSBZASLD-ISTKSAHJSA-N 666.845 1.646 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)c4ccccn4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100532902 KCJKZDXHKFYRDJ-ORYNDBQLSA-N 517.630 1.787 0 50 KDAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(S(=O)(=O)c2cn(C)cn2)CC1=O 2356137643 TUARVSKINIGZAW-MUUNZHRXSA-N 572.732 1.544 0 50 KDAA COc1ccc(OC[C@H](O)Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1 5356798 QHHGLEGYJAHVKF-HXUWFJFHSA-N 520.590 1.209 0 50 KDAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 585662043 RDDPDJYPEFICFA-FIXSFTCYSA-N 606.783 1.436 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cncn2C)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704317916 KZIHSBLOVRWVIJ-WDDWZANVSA-N 746.895 1.480 0 50 KDAA CCCn1ncc(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)c1C 1704321283 HBWZBJSVCVFZGE-AGPWEBJKSA-N 607.756 1.421 0 50 KDAA CCn1nc(C)cc1C(=O)N1CC(=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 1704327333 RQRFUXHMKWHJLC-LHIMOPHOSA-N 639.798 1.580 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)c3cc4n(n3)CCNC4=O)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713767 RKTMXWZHTIAFON-KYVYNOIWSA-N 784.915 1.370 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cn(C)cn2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775976845 AJADAHRAWLZCRY-DFBJGRDBSA-N 580.690 1.569 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)Cc2ccccc2)CCNC(=O)COc2cccc(c2)C1 1775978745 CEKZOOOBAMFUMW-PMERELPUSA-N 553.656 1.901 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)[C@@H]1COC(=O)N1)CCCCNC2=O 1857698520 VXLPCCHPJNDHDB-KDYSTLNUSA-N 625.679 1.714 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1cnn(Cc3ccccc3)c1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740633 MYCCKJWNVZRNIC-SUYBVONHSA-N 739.830 1.952 0 50 KDAA CN1CC(=O)N(CC(=O)N2C[C@@H]3c4cccc(c4)OCCCCN(C(=O)c4ccc5ncsc5c4)CC(=O)N[C@H]3C2)C1=O 2100533248 HKFYWSCQGJYIIM-VWNXMTODSA-N 604.689 1.916 0 50 KDAA CCCCC[C@@H](O)[C@H]1C(=O)O[C@H](C)[C@@H](O)/C=C/C=C/C=C/C=C/C=C(\C)[C@@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H]1O 49949635 IMQSIXYSKPIGPD-YQRUMEKGSA-N 654.838 1.888 0 50 KDAA in-vitro CC(=O)O[C@@H]1[C@H](O)CO[C@@H](O[C@H]2CC[C@]3(C)[C@H]([C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C[C@H]4[C@H]3CC[C@@]3(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@H](O)C[C@]43C)C2(C)C)[C@@H]1O 253610339 SGWGNFPPYZHYQH-GIQXDTNJSA-N 829.034 1.541 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)c1cccnc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952863645 REAVVRDFCPLXMF-RNHDNODOSA-N 682.819 1.357 0 50 KDAA Cn1cc(S(=O)(=O)N2CC[C@@H]3OCc4cccc(c4)Oc4ccc(cc4)CCC(=O)N(CCCO)CC(=O)N[C@H]3C2)cn1 952865039 MOSRFBGLAAPLJB-NSOVKSMOSA-N 611.721 1.834 0 50 KDAA Cc1cc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)on1 1772713056 AZLMTZYZDZSUIX-NIJXNBFTSA-N 621.695 1.049 0 50 KDAA Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)N2CCCNC(=O)c3cc(Cl)ccc3OCCNC(=O)C2)cc1 1857674179 VVUXJCCVSSZPGK-QHCPKHFHSA-N 556.063 1.496 0 50 KDAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCC[C@H](N3CCNCC3=O)C2)c1 2325843987 VJHQZTVLJNFUHB-BJKOFHAPSA-N 510.660 1.842 0 50 KDAA COc1cc(OC)cc(OC[C@H](O)CN2CCN(C[C@@H](O)COc3cc(OC)cc(OC)c3)CC2)c1 23078721 YSGGRWAARWCTOF-WOJBJXKFSA-N 506.596 1.518 0 50 KDAA O=P(O)(O)[C@]1(Cc2cccnc2)O[P@](=O)(O)[C@@](Cc2cccnc2)(P(=O)(O)O)O[P@@]1(=O)O 97976252 SEZUEFYYUDYBTC-OKILXGFUSA-N 530.196 1.342 0 50 KDAA COC(=O)C[C@H](c1ccc(OC)c(OCC(N)=O)c1)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 225416215 YWQSVDOSVIYZLD-SLYNCCJLSA-N 579.606 1.694 0 50 KDAA biogenic COc1cc(N2C(=O)N[C@H](CC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@@H]43)C2=O)cc(OC)c1OC 888089155 LSNVPVBFLLTPQS-ATLSCFEFSA-N 500.552 1.387 0 50 KDAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCN(c3ccncc3)CC2)NC1=O 952862201 MUQXQLBBAVVTIB-SPJMRJSYSA-N 681.794 1.073 0 50 KDAA C[C@H](CC[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O)[C@@H]1CC[C@@]2(C)[C@@H]3CC=C4[C@H](CC[C@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 1565750578 KQTZVENXVUVZFB-YBRCNTBPSA-N 799.008 1.328 0 50 KDAA biogenic,in-vitro CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccc3scnc3c2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322618 NALUNRBHDGTNTM-GIZCSYNHSA-N 723.922 1.868 0 50 KDAA CC(=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 1704323599 WUAMIAIAHKIKSZ-YMSRPXOMSA-N 680.832 1.453 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1ccccn1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772704115 RSKAKTPPYAJOAR-FATZWSQISA-N 645.765 1.079 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)CCCn3cncn3)C[C@@H]2Oc2ccc(cc2)CN1 1772713582 MPFRSVYZECLWQE-SVBPBHIXSA-N 574.638 1.944 0 50 KDAA COCC[C@@]1(C(=O)NCc2cnn(C)c2)CNC(=O)CCCN(C(=O)c2cc(C)on2)CCCNC(=O)COc2ccc(cc2)C1 1875242393 QCPDJUCIBDUYLL-YTTGMZPUSA-N 637.738 1.536 0 50 KDAA Cc1nc(O)nc(C)c1CCC(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 952864694 LHTZJSIUEBWCBO-GMAHTHKFSA-N 556.023 1.985 0 50 KDAA COc1ccc(C(=O)N2CC(=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](Cc3ccccc3)C2)cc1F 1704317159 HDOSWPUBYRUWHM-OOCPIJPSSA-N 714.861 1.406 0 50 KDAA O=C1CC[C@H](N2C(=O)c3ccc(NC(=O)CN4CCC(C(=O)c5ccc(O)cc5)CC4)cc3C2=O)C(=O)N1 2325899871 BTUJNNCQFGJUKD-NRFANRHFSA-N 518.526 1.327 0 50 KDAA Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4nn(C)c(C)c4Br)[C@H]3SC2)s1 2752104 UKQNDAIMFCSTHH-XHDPSFHLSA-N 545.466 1.795 0 50 KDAA NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1 14951634 XIJHWXXXIMEHKW-LJWNLINESA-N 571.678 1.193 0 50 KDAA endogenous,in-man COC[C@@]12CC[C@H](OC)[C@@]34[C@H]1[C@H](OC)[C@@H]([C@H]3N(C)C2)[C@]1(OC(C)=O)[C@@H](O)[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 245204635 FIDOCHXHMJHKRW-FSEUZKIHSA-N 615.720 1.287 0 50 KDAA biogenic C[C@@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@@]8(CC[C@@H](C)CN8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 936069009 KRQDMAXNTWLTDZ-NXGCOUNSSA-N 721.929 1.963 0 50 KDAA biogenic CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2scc3c2OCCO3)CCN(C)C(=O)[C@@H](C)NC1=O 1704324242 ZQDBXSIJTUVWCJ-VBXWPYOKSA-N 753.904 1.754 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)[C@@H]3CCCO3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704325188 ZFUYKMOXHPLBQM-MKKUMYSQSA-N 615.772 1.408 0 50 KDAA Cc1nonc1CC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713607 NAVGPHWWLCRCSK-UIOOFZCWSA-N 561.595 1.806 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H](C)N)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772817207 ISUBFUUGYQFYAM-LVPHCDGDSA-N 692.858 1.464 0 50 KDAA CC(C)[C@@H]1NC(=O)C(C)(C)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](C)NC1=O 952864202 MQRAWCXWHPJYET-QRWLVFNGSA-N 548.044 1.184 0 50 KDAA O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(C(=O)C34CC5CC(CC(C5)C3)C4)CCN2C(=O)[C@H](Cc2ccccc2)N1 952864474 HVNWSWUCEJONOM-SXRQFHBZSA-N 587.725 1.671 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)CN2CCCC2=O)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704324443 QQGQDJNIUXYEQT-QNBMNEBMSA-N 785.006 1.400 0 50 KDAA CN(C)S(=O)(=O)CCCN1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772713127 FDLQRFZWZFCGPS-SVBPBHIXSA-N 586.711 1.627 0 50 KDAA O=C(Cc1ccc(N2CCNC2=O)cc1)N1CCN(CCOc2cccc(CN3CCOCC3)c2)CC1 14884436 ZFOJHPDXRFGUNI-UHFFFAOYSA-N 507.635 1.814 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O 242688176 VJJPUSNTGOMMGY-XQCCWJFOSA-N 588.562 1.339 0 50 KDAA biogenic CC(=O)N[C@@H]1[C@H](Oc2ccc(Br)cc2)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 245225802 QBFVABHSGIIDPA-LCWAXJCOSA-N 502.314 1.484 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1n1nc(-c2ccccc2)oc1=S 334160763 LTFACHGUFVRXCD-TYZHSBRISA-N 507.521 1.701 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)Cn3cc4ccccc4n3)CN2C(=O)[C@H](C(C)C)NC1=O 952864594 JRWRNFBEUMLFGK-XPDXHJRPSA-N 718.881 1.267 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(Cc2ccc3c(c2)CCO3)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952866577 CYAYRLVJMLJEBR-DFLRLQOUSA-N 665.832 1.858 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccccc3-c3nc[nH]n3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1857701587 WGTARERHQOJLPS-GLGRRZRYSA-N 752.829 1.132 0 50 KDAA O=C(N[C@H]1CCn2nnnc2C1)c1ccnc(N2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)c1 1875360950 NADVCVIBZCLFJK-HNNXBMFYSA-N 537.433 1.631 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)C1CCS(=O)(=O)CC1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100534065 RXVKISQHMQBVPO-AREMUKBSSA-N 603.742 1.642 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)Cc4ccc(S(C)(=O)=O)cc4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100534120 UWOWTBMEQQYJAB-IAAUAWTHSA-N 608.761 1.724 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952866038 XPULYZRJIASPKG-OYRYQELPSA-N 682.218 1.906 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)COCc2ccccc2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704321872 HETZXHLVBNHURZ-FHYLVXSLSA-N 639.819 1.656 0 50 KDAA 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)nn1C 1704329346 RTVNTQQAQYJVNI-MXSCXNJPSA-N 760.922 1.788 0 50 KDAA COCC(=O)N1CCCC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c2nc(-c3ccccc3)nn2CC(=O)NCC1 1772713314 CSSFAKUSXHHSBL-PZJWPPBQSA-N 541.653 1.038 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3cc(-c4ccccn4)[nH]n3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713934 WPFBXDZWGOUOFY-KXNDQVQMSA-N 752.829 1.132 0 50 KDAA C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@@H](C)[C@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O 1772820046 VNONINPVFQTJOC-OVRNZWPDSA-N 869.055 1.242 0 50 KDAA O=C1CN(C(=O)CCS(=O)(=O)c2ccccc2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857706743 PHAFCJBHNKNCRE-UHFFFAOYSA-N 507.996 1.661 0 50 KDAA C[C@H]1CC[C@@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4C[C@H]31)[C@]2(C)O 255205636 DHQFYEJMFMYGCV-RRIRULBESA-N 591.786 1.711 0 50 KDAA CCc1ocnc1C(=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 1704318829 SBJCCLFCOHBAJR-ZNNUDVHBSA-N 580.686 1.057 0 50 KDAA Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H]2NC(=O)c3cc(cc(C(=O)O)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772705989 NXINYOIHCWMOEM-UIOOFZCWSA-N 575.622 1.765 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3cc[nH]n3)C[C@@H]2Oc2ccc(cc2)CN1 1772713041 AHJSJKSSZKIUOC-DQEYMECFSA-N 531.569 1.909 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2cnc(O)c(Cl)c2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713435 JFQGAXSDXAZBNW-DCLXLUIPSA-N 682.182 1.574 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)[C@@H]2CCCN3CCCC[C@H]23)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714127 BDPZJAJNGTUCIV-CAMSERHBSA-N 691.878 1.771 0 50 KDAA COCCC[C@]1(C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857688771 OZXJBUOFTYDTKR-PSXMRANNSA-N 682.782 1.773 0 50 KDAA O=C1CN(C(=O)c2ccccc2)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857741098 CLQYPOQSCDRFRZ-DEOSSOPVSA-N 532.601 1.298 0 50 KDAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(N)=O)c4ccccc43)c(=O)n2[C@@H]1c1ccccc1Cl 2063920 IKRREFCMGYDKTH-SADKCHQCSA-N 536.997 1.654 0 50 KDAA O=C(O)COCCOCCNC(=O)COCCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 104841201 DYLGYEMUUDYFSV-UHFFFAOYSA-N 530.574 1.792 0 50 KDAA Cc1nnnn1CCC(=O)N1CC[C@]23C(=O)N(CC(=O)N(C)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952861545 ALSGWXRXWSBCDT-XTEPFMGCSA-N 529.601 1.871 0 50 KDAA Cc1ccc2nc(C(=O)N3CC(=O)N[C@H](Cc4c[nH]c5ccccc45)C(=O)N4CCC[C@@H]4C(=O)N[C@H](CC(C)C)C(=O)N[C@H]4CCO[C@H](C3)[C@H]4O)c(F)n2c1 1704323527 QQUWVHUTCSBGIQ-YTZAACTGSA-N 758.852 1.603 0 50 KDAA CCOCC(=O)N1CCC(C(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)CC1 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C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2cccnc2)NC1=O 952865627 TYUDJSQGKVAVMU-IUFAUYNMSA-N 640.741 1.083 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772701815 BOGVYELIBVUASP-OFSOJUDTSA-N 701.872 1.522 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(Cn3cnnn3)cc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857707084 YVVLFCPPMFUMGA-WJIXKWODSA-N 719.807 1.848 0 50 KDAA CN1CCN(CCc2cn(-c3ccccc3CCC(=O)N[C@H](C(N)=O)c3ccc(Cl)cc3)nn2)CC1 2325851079 OQNHCFWXCWLCLG-VWLOTQADSA-N 510.042 1.986 0 50 KDAA C[C@H]1O[C@@H](O[C@H]2CC[C@]3(C)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@H]5[C@H]4C[C@H](O)[C@@]3(O)C2)[C@H](O)[C@@H](O)[C@H]1O 257346909 DVTBKGKMSDFCAF-IOWSFQCVSA-N 536.662 1.427 0 50 KDAA O=C(O)CCOCCOCCOCCN(CCOCCOCCOCCC(=O)O)Cc1ccccc1 585672547 YQSOIFQMGAZDSN-UHFFFAOYSA-N 515.600 1.538 0 50 KDAA C[C@@H]1NC(=O)COc2cc(O)cc(c2)C(=O)NCCCN(C(=O)CCCn2ccnc2)CCCCN(C)C1=O 952855813 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1.282 0 50 KDAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(C(=O)Cn3cc(C)c(O)nc3=O)CC[C@@H]1OCc1cccc(c1)O2 1616107651 CPZMFOZPUGETCV-FTJBHMTQSA-N 605.648 1.836 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccoc2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704319395 VCLMGGLZRMQMEH-CIEKJZLMSA-N 661.756 1.252 0 50 KDAA Cc1nc(CC(=O)N2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCC2)cs1 1704321486 QLVLNPFIPOKEGB-WMVAVLGLSA-N 598.770 1.496 0 50 KDAA 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 5273910 RMRFSFXLFWWAJZ-SMIHKQSGSA-N 507.543 1.213 0 50 KDAA COc1ccc(N2C(=O)C[C@H](N3CCCN([C@@H]4CC(=O)N(c5ccc(OC)cc5)C4=O)CC3)C2=O)cc1 100176741 HTTCOCLRQAUGKU-ZRZAMGCNSA-N 506.559 1.676 0 50 KDAA CCOC(=O)[C@@H]1CC[C@]2(O)[C@@H]3CC[C@]4(O)C[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]4(COC(C)=O)[C@@H]3[C@H](OC(C)=O)C[C@]12C 257348002 AMRMTJOEQNHFBE-IWDTZRGLSA-N 596.670 1.996 0 50 KDAA CCCCC[C@H](O)[C@@H]1C(=O)O[C@H](C)[C@H](O)/C=C/C=C/C=C/C=C/C=C(/C)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@@H](O)C[C@@H]1O 257354993 IMQSIXYSKPIGPD-WPRHZCQLSA-N 654.838 1.888 0 50 KDAA CSCC[C@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952859228 PNIYYHDRWKJVAK-FTFYMLIESA-N 672.208 1.475 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(Cc1ccccn1)CC(=O)N[C@H]2Cc1ccccc1 1704323853 HOYZZISGSSHSRL-DCEDVJGZSA-N 546.676 1.543 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccn(C(C)C)n2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704324428 QBBKZKWFCJVQFV-DSBYRVASSA-N 581.718 1.141 0 50 KDAA Cc1c(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)cnn1-c1ccccn1 1772714060 XWKFTJVZYAOOLF-MWVDVNALSA-N 683.770 1.713 0 50 KDAA CCc1noc(C)c1C(=O)N[C@@H]1C[C@H]2C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c3cc4cccc(Cl)c4n3C)C(=O)N2C1 1857697499 WRBXWUJFVWUPQC-SXPAWZJZSA-N 698.177 1.838 0 50 KDAA CC(C)CCN1C(=O)CN(C(=O)C(C)(C)C)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857739058 BJJSEHTWRVPGNX-LJQANCHMSA-N 516.687 1.619 0 50 KDAA 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 100686810 RMRFSFXLFWWAJZ-TZRRMPRUSA-N 507.543 1.213 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 242688177 VJJPUSNTGOMMGY-YAPYHVAXSA-N 588.562 1.339 0 50 KDAA biogenic,in-vitro Cc1nc(C(C)C)sc1C(=O)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 952864670 KYDJLISBKATJOP-XZOQPEGZSA-N 592.726 1.657 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)CCC(C)(C)C)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704322081 FDXSRQWYJQLMIO-JJTGBXKASA-N 557.736 1.876 0 50 KDAA CCn1ccc(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)n1 1704330956 INCSUHPFVGLODG-WTWMYVDVSA-N 760.922 1.963 0 50 KDAA Cc1ccccc1CNC(=O)CN1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc(on2)C1 1772702123 BOEVZQSBTKAQIU-SUHSUELASA-N 659.788 1.608 0 50 KDAA CC(C)C(=O)N1CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCNC(=O)C1 1857740131 JJYGOXNIRFBLSX-DEOSSOPVSA-N 547.660 1.827 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3cccnc3)C[C@@H]1NC2=O 2356161119 GVJPPGDWLLYKNU-CPJSRVTESA-N 532.553 1.809 0 50 KDAA Cc1ccc(S(=O)(=O)N2CCN(CCNC(=O)C(=O)Nc3ccc(Br)cc3)CC2)cc1 13601362 IWRXNHBVXHNIMR-UHFFFAOYSA-N 509.426 1.819 0 50 KDAA COC(=O)[C@@H]1[C@H](c2ccc(OC)c(OC)c2)N[C@@H](c2ccc(OC)c(OC)c2)[C@@H](C(=O)OC)S1(=O)=O 19228759 CLYIEKBYARYVNJ-CMOCDZPBSA-N 523.560 1.605 0 50 KDAA CCC(CC)C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C1 952864018 KGVVDLGHYDJIPP-XIIJWGSISA-N 644.773 1.279 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2cccc(N(C)C)c2)C[C@H](Cc2ccccc2)NC1=O 1704322462 LEYMDRKZYQCJAE-ADFUGTLUSA-N 604.752 1.572 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3cccc(S(C)(=O)=O)c3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704322535 IZMRHWZGKUYAOY-NSQMQTOTSA-N 699.871 1.946 0 50 KDAA COc1ccc2cc1OCCN(C(=O)[C@H]1CC[C@H](O)CC1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704323066 SXVNTCFYIXMRLR-DZRGJMJISA-N 541.649 1.588 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CCc2nc3ccc(F)cc3[nH]2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704338563 VDSPCCPSFWZFEB-ZKWHEZEISA-N 801.921 1.626 0 50 KDAA Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2C[C@H](O)COc1ccc(I)cc1 633339 FXRMKIZRHCWMNZ-VIFPVBQESA-N 521.109 1.230 0 50 KDAA COc1cc(N2C(=O)N[C@H](CCC(=O)N3C[C@@H]4C[C@H](C3)CN3C(=O)CCC[C@H]43)C2=O)cc(OC)c1OC 888090287 PTUSGMGTMFDZOL-UKBAYJJMSA-N 514.579 1.777 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)c2scc3c2OCCO3)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952861689 FLHFMAWAZQROAV-KGSLCBSSSA-N 607.693 1.065 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1616109000 SNDIFASDRUVZNW-VGSWGCGISA-N 527.988 1.546 0 50 KDAA COCCC(=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 1772714346 MQLWXBHTWGPYQS-XKSVLSLFSA-N 649.789 1.555 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(S(=O)(=O)N(C)C)CCNC2=O 1875240503 VOFVHUQTBGMYSN-GOSISDBHSA-N 571.660 1.062 0 50 KDAA COc1ccc(OC[C@@H](O)Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1 634871 XPUQSYQHXJEOJH-IBGZPJMESA-N 506.563 1.198 0 50 KDAA Cc1[nH]c2ccccc2c1C[C@@H](NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O 150339044 RVWNMGKSNGWLOL-GIIHNPQRSA-N 887.059 1.337 0 50 KDAA in-man CCC[S@](=O)c1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 214485024 DXFXDCXSENDSIK-CJAWFVDQSA-N 538.577 1.029 0 50 KDAA in-vitro CC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)[C@H]1C[C@@H]1C(=O)N(c2ccc(S(=O)(=O)O)cc2)N=C1C 263616650 JXTPXZSBXACXHS-OALUTQOASA-N 520.545 1.948 0 50 KDAA in-vitro CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(Cc2ccccn2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322907 LWZWVBBDHDCUSU-GUFCLIDSSA-N 582.771 1.508 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)Cn1ccnc1)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100533550 UQXGOOBFAZZHCV-AREMUKBSSA-N 551.648 1.714 0 50 KDAA NC(=O)[C@@H](NC(=O)C1CCC(n2cc(C3(S(N)(=O)=O)CCC3)nn2)CC1)c1cccc(Br)c1 2325851570 CJQOZAIHLVFPDW-AUCFXJAVSA-N 539.456 1.782 0 50 KDAA Cc1nccn1CCCC(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O 952856588 AOKIMZPPMRNVRV-VWLOTQADSA-N 546.676 1.662 0 50 KDAA CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCc3c([nH]c4ccccc34)C2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952862462 OATHYTUVKSDYHK-IPEWUJQWSA-N 642.757 1.809 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3sc4[nH]cnc(=O)c4c3C)C[C@@H]1NC2=O 952865533 QDNKZBZZFCFUMT-LPHOPBHVSA-N 551.585 1.125 0 50 KDAA COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC2=O 1704322829 QBGGJCXCRGNDKQ-MFSNTFNBSA-N 760.893 1.554 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2nn(C)c(=O)c3ccccc23)CCNC(=O)COc2cccc(c2)C1 1775976622 BUOPCPHIJVIFQI-JGCGQSQUSA-N 621.691 1.219 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2c(C)cc(C)n(C)c2=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1800430447 MYXAHMMHUKGPEP-UEMWQVMZSA-N 769.900 1.676 0 50 KDAA C[C@@H]1O[C@H](O[C@@H]2CC[C@]3(CO)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@@]5(O)[C@@H]4CC[C@@H]3C2)[C@H](O)[C@H](O)[C@H]1O 1848443866 WPVGSIBYLZQSIK-MMDDMKORSA-N 536.662 1.429 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ncoc3C)C[C@@H]1NC2=O 2356160291 LHOZWELDQOGKOE-UGKGYDQZSA-N 506.515 1.702 0 50 KDAA Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@H](NC(=O)c4nn(C)c(C)c4Cl)[C@H]3SC2)s1 20602284 AOVCYMCWDYMJHB-XHDPSFHLSA-N 501.015 1.686 0 50 KDAA CCOC(=O)CNC(=O)CCCCSc1ncnc2ncn(CCCCC(=O)NCC(=O)OCC)c12 25578711 SNRVFGSRNNCOKX-UHFFFAOYSA-N 522.628 1.618 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cccnc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321319 IZLVPVLVUHILIC-XMMPIXPASA-N 520.590 1.746 0 50 KDAA O=C1CCCN(C(=O)c2ccccn2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857740718 WJGYDBWVOSQZFD-VWLOTQADSA-N 543.628 1.398 0 50 KDAA CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)O 245255261 GPOCHLQREYUIEA-UTYWTXRGSA-N 637.691 1.199 0 50 KDAA Cc1nn(C)c(C)c1CCC(=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 1704317990 MHWIYTGAHYRPLN-GHSMALOBSA-N 710.836 1.345 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)Cc1cccnc1)CCCNC(=O)[C@@H](C)NC2=O 1704321914 DLXAMFYGNYXBDU-HXUWFJFHSA-N 519.606 1.660 0 50 KDAA Cc1cnc(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)[nH]1 1704323882 IYJVCZQLVFKJCZ-TYFYUWPDSA-N 679.848 1.313 0 50 KDAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC(=O)N1CC2 1704329423 UQHSCVKYYIQBSM-MUUNZHRXSA-N 578.622 1.127 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)c2ccccc2)CCCNC1=O 1704340835 VJOMBQXHTDELQC-BUALBWRZSA-N 563.699 1.802 0 50 KDAA Cc1noc(C)c1C(=O)N1CCCOc2cccc3c2OC[C@@]2(CNC(=O)C1)CN(C(=O)CN1CCOC1=O)C[C@@H]32 1875240448 SHQVGZNPHXYYTD-WTYVLRPYSA-N 567.599 1.089 0 50 KDAA Cn1ccn2ncc(C(=O)N3C[C@@H]4NC(=O)c5ccc(Cl)c(c5)OCCCn5cc(nn5)CO[C@H]4C3)c12 952861488 BRIWEJKVBUNIPS-FPOVZHCZSA-N 524.969 1.540 0 50 KDAA NCc1nc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)co1 1772706594 TZVUBFNNLFNLBX-ZCYQVOJMSA-N 561.595 1.633 0 50 KDAA CC(C)[C@@H]1CC[C@@H](C)CC(=O)N2C[C@H]3C[C@H](CN(S(=O)(=O)c4cn(C)c(=O)n(C)c4=O)C3)[C@@H]2CCCC(=O)N1 1857739245 GDULNYIOEXXLAN-TWGBQZSLSA-N 565.737 1.053 0 50 KDAA O=C1NCCN(C(=O)CCc2nc(O)n[nH]2)CCCOc2cccc(c2)[C@H]2CN(C(=O)c3ccc4c(c3)OCO4)C[C@H]12 1875241431 ABPSKMZRIPFHTL-YADHBBJMSA-N 576.610 1.455 0 50 KDAA 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@H](C)[C@@H](O)[C@]1(C)O 94303232 HRKNNHYKWGYTEN-HOQMJRDDSA-N 734.969 1.559 0 50 KDAA O=C(CN1CCCCCC1=O)N1CCC2(CC1)Cc1cn(nn1)CCCOc1ccc(cc1)CCNC2=O 952862340 IMTHFFBPEGGVAJ-UHFFFAOYSA-N 522.650 1.973 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cn3ccsc3n2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704321528 SCLHAAMYLXVLPY-KIVQYPQWSA-N 728.876 1.929 0 50 KDAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)c3ccn(C(F)F)n3)CN2C1=O 1857700028 JPCXEJWOAOBXTJ-SWUCNREESA-N 697.700 1.124 0 50 KDAA CO[C@@H](C(=O)N1CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCNC(=O)C1)c1ccccc1 1857741412 REVCMSUKYCYODX-AHKZPQOWSA-N 576.654 1.372 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3ccc(=O)n(C)c3)C[C@@H]1NC2=O 2356161838 LZQHBQJGACYHOV-CPJSRVTESA-N 562.579 1.113 0 50 KDAA O=C(CCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CCOCCOCC1 97990148 GXOZPXLBZORBNP-UHFFFAOYSA-N 664.712 1.096 0 50 KDAA CCc1ccc(CCCC(=O)N2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1 952857813 YBVHGHANNPMFHN-JYFHCDHNSA-N 559.671 1.665 0 50 KDAA COc1cc2ccc1OCCn1cc(nn1)CCN(C(=O)CCc1c(C)noc1C)CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc1ccccc1)NC2=O 952864129 LMFJHUPGQRWJCY-JCWMKJMESA-N 730.823 1.311 0 50 KDAA COc1nc2ccccc2nc1CCC(=O)N1CCN2C(=O)[C@H](Cc3ccccc3)NC(=O)CCCn3cc(nn3)CNC(=O)[C@H]2C1 952864746 PVPAETIWJZUQLW-WUFINQPMSA-N 639.717 1.040 0 50 KDAA CC(C)c1cc(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)on1 1704324445 QTQQIWFUYINIPR-FEAPDONJSA-N 594.713 1.618 0 50 KDAA CC(=O)c1c(C)nn(CCC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3cc(on3)C2)c1C 1772714226 GRNHVAKBKVINIV-IFDYJGHISA-N 724.819 1.813 0 50 KDAA COc1c[nH]c(C(=O)N2CCNC(=O)c3ccc4nc(CC(C)C)n(c4c3)CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc3ccccc3)NC(=O)C2)cc1=O 1775980104 UNRGPRACPUQBJD-YWEHKCAJSA-N 726.835 1.556 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c2ccc3c(c2)CCCO3)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857699312 MIFVQANGCPKICD-ZRKWFTTGSA-N 681.750 1.474 0 50 KDAA O=C1CC[C@H](N2Cc3c(cccc3S(=O)(=O)N3CCC4(CC3)CC(=O)c3cc(F)ccc3O4)C2=O)C(=O)N1 2325898976 HLMNDSKXUQUYKU-IBGZPJMESA-N 541.557 1.775 0 50 KDAA CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)O)C(C)C)C(C)C 4217265 FAXGPCHRFPCXOO-LXTPJMTPSA-N 685.904 1.467 0 50 KDAA biogenic,investigational CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 8214644 NEYNJQRKHLUJRU-DZUOILHNSA-N 767.906 1.520 0 50 KDAA world COc1cc2ccc1Oc1cccc(F)c1CNC(=O)CCCN(S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCCNC2=O 1704318845 SJENFDCTIPZAQT-UHFFFAOYSA-N 617.656 1.245 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)c2c[nH]c(=O)cn2)CCCCNC(=O)[C@@H](C)NC1=O 1704328562 LUFFVGDPYNAMDL-KEKPKEOLSA-N 657.772 1.699 0 50 KDAA CCc1nc2ccccc2n1CCC(=O)N1CCNC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2coc(n2)[C@@H](Cc2ccccc2)NC(=O)c2cc(on2)C1 1857725256 YTFKEWUPIOYPBX-JKYPXVJXSA-N 753.817 1.821 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3onc4ncccc34)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356161776 JNXTWOFULBDZAR-UPVQGACJSA-N 573.562 1.951 0 50 KDAA C[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)C[C@H](C(=O)NCc2cc(F)ccc2F)NC1=O 952861927 IZMQTRYIFMIICQ-JLQLZASWSA-N 661.706 1.924 0 50 KDAA COc1ccc2cc1OCCN(S(=O)(=O)c1c(C)noc1C)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704316741 CEUXOPOSUPVTFT-HSZRJFAPSA-N 574.660 1.504 0 50 KDAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)CN3CCOC3=O)CC(=O)N1CC2 1704321307 IGBYEQYBNCCGLS-MHZLTWQESA-N 539.585 1.868 0 50 KDAA COCc1cc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC3=O)ccc1OC 1772713846 UJTZCXPEDCSKQW-MGMSZRMWSA-N 731.847 1.473 0 50 KDAA CCOC(=O)[C@]1(CCOC)CNC(=O)CCCN(S(=O)(=O)C2CC2)CCCNC(=O)COc2ccc(cc2)C1 1857690631 HXNIQCCLMKHNTN-MHZLTWQESA-N 567.705 1.404 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)[C@H]3CCCO3)CN2C(=O)[C@@H](NC(=O)C2(c3ccccc3)CCCCC2)CCCCN1 1857704797 GNVATDLQWCRWTR-NNRJALBFSA-N 653.777 1.288 0 50 KDAA CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O[C@@H]5O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]5O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5 169731132 CZULHKGIAJASAA-WWIHBJMFSA-N 643.774 1.979 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3sccc3C)CN2C(=O)[C@H](C(C)C)NC1=O 952855822 DUTHZOGIIIJRCD-OWNCGHDPSA-N 684.885 1.900 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cn3nc(C)c(C)cc3=O)C[C@@H]1OCc1cccc(c1)O2 952857273 LDQLJFLDHUGNHW-VMPREFPWSA-N 648.717 1.907 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)[C@H]2CCCN2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952864493 WSJJWGRTZGFKFK-PYPSMOBWSA-N 658.804 1.021 0 50 KDAA C[C@@H]1NC(=O)CCCN(C(=O)c2cccnc2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1704318757 QNSHCRNUVPGDDC-FDDCHVKYSA-N 504.591 1.537 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)c2cn(C)cn2)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704341348 ZKMVPSMSOLQHMR-MNWDEFRCSA-N 767.979 1.824 0 50 KDAA Cc1cc(CC(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)cc(C)n1 1772703661 PESQHNGNXGDQAC-XTBZXYEFSA-N 645.761 1.764 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cc3ccc(-c4ccccc4)cc3)CN2C(=O)[C@@H](NC(=O)C2CCOCC2)CCCCN1 1857690991 QXHNMILYRUHTCW-RYTSNQFKSA-N 675.783 1.543 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cn4cccnc4n3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162445 KCRPNHMWHNUTEF-DHLKQENFSA-N 572.578 1.457 0 50 KDAA COc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)cc(C(=O)N3CCOCC3)c2)cc1OC 8846628 BBZICIBZQDIUOU-UHFFFAOYSA-N 519.576 1.449 0 50 KDAA CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](COC(C)=O)O[C@H]1n1nc(-c2ccccc2)oc1=S 334160762 LTFACHGUFVRXCD-KWLWEVDOSA-N 507.521 1.701 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3cscn3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704335335 DIQTTXGPVINLDO-PXNSSMCTSA-N 515.636 1.468 0 50 KDAA CC(C)(C(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1)N1CCOCC1 1772713416 KYKLJWHIMDKMPJ-NSOVKSMOSA-N 592.693 1.983 0 50 KDAA CCN1C[C@@]2(COC)[C@H](O)C[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 253387906 LLEMSCWAKNQHHA-PHUXQOOTSA-N 659.773 1.686 0 50 KDAA biogenic O=C(CCS(=O)(=O)CCS[C]1NCCS1)NCCCCCCNC(=O)CCS(=O)(=O)CCSC1=NCCS1 409415903 ORKSYUYHIXXIIH-UHFFFAOYSA-N 647.978 1.742 0 50 KDAA Cc1oc(-c2ccccc2)nc1CC(=O)N1C[C@@H]2CC(=O)N(C)CCNC(=O)c3cccn(c3=O)Cc3cn(nn3)[C@@H]2C1 952862681 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CO[C@@H]1C[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@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257361057 KWBPKUMWVXUSCA-XXZLPTCUSA-N 696.831 1.079 0 50 KDAA COc1ccc(C(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C(=O)[C@H](CC(C)C)NC(=O)C2)cc1 952858021 ZOAUMFRRDSAXET-MZBJOSPHSA-N 579.698 1.373 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)CN(C(=O)c1cccnc1)CC(=O)N[C@H]2Cc1ccccc1 1704321619 CEEHQBGZJLOHQM-VEXUSMLFSA-N 560.659 1.183 0 50 KDAA COc1nc2c(cc1C(=O)N1CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]1C)CCC2 1704323110 OYAMCAPELWVWKU-WIHNBGHUSA-N 693.805 1.980 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)c2cc(C)sc2C)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704326624 JXRCIVCOVHSKBV-PPIVKMSOSA-N 736.983 1.485 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cc(-c3ccccc3)no2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704345022 SRJAXVPOXXTGNB-CSCDWVEASA-N 782.899 1.946 0 50 KDAA Cc1cc(C(=O)N2CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)c3nc(C)nn3CC(=O)NCC2)c2c(C)nn(C)c2n1 1772713925 VAOYAOLNGCPNII-PHALFPIFSA-N 727.871 1.583 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3ccc(-c4cnco4)cc3)C[C@@H](CNC1=O)O2 1857709501 AZIZWZSGVWJOCX-LLNGEMMXSA-N 644.729 1.398 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3ccc4c(=O)n(C)cnc4c3)CCCC1=O)C2 1857724550 HICZUJKTMKBVGT-QFIPXVFZSA-N 618.739 1.133 0 50 KDAA O=C1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857741639 NNMLJHNOGBWLSW-NDEPHWFRSA-N 624.706 1.038 0 50 KDAA O=C1CC[C@@H](N2C(=O)c3ccc(NC(=O)CN4CCC(C(=O)c5ccc(O)cc5)CC4)cc3C2=O)C(=O)N1 2325899872 BTUJNNCQFGJUKD-OAQYLSRUSA-N 518.526 1.327 0 50 KDAA O=C1NCCCN(S(=O)(=O)c2cccnc2)CCCN2C(=O)[C@@]3(c4ccccc42)[C@H]1C[C@@H]1CCCN13 2356134169 BRPDCFKRNPJDOA-NDIWIEOSSA-N 509.632 1.709 0 50 KDAA CCN1C[C@@]2(COC)[C@H]3[C@@H](OC)[C@H]4[C@H]1[C@]3([C@@H](OC)C[C@H]2O)[C@@H]1C[C@@]2(O)[C@@H](OC)C[C@@]4(OC(C)=O)[C@H]1[C@H]2OC(=O)c1ccc(OC)cc1 306121784 LLEMSCWAKNQHHA-KNMDRNNFSA-N 659.773 1.686 0 50 KDAA biogenic CCCC[C@@H]1NC(=O)c2cc(C)ccc2OCCn2cc(nn2)CNC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC1=O 952861858 IFLLPWZMTXWGFY-JZWVFAODSA-N 541.653 1.229 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCn3nc(C)cc3C)C[C@@H]1NC2=O 1704322349 MSIWTZIVFAEYSV-OZXSUGGESA-N 547.612 1.996 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3cccc4nccnc34)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713975 ZCEFNBYHDHIXBL-APGDKJRLSA-N 737.814 1.290 0 50 KDAA Cc1nn(C)c(C)c1CCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc(on2)C1 1772714499 TWBVTQFDRCILAF-MWVDVNALSA-N 662.792 1.493 0 50 KDAA CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCS(=O)(=O)NC(C)C)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1848443390 NNQRICKVCGKWLC-XNZYNNNKSA-N 541.674 1.415 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)CCNC(=O)COc2cccc(c2)C1 1857706880 ABYAKIKFIGNHEP-YTTGMZPUSA-N 674.773 1.266 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C)NC(=O)CN(C(=O)[C@@H]1CCCCN1)CCNC2=O 1875240489 VHOOIPGSTUCWOQ-OFNKIYASSA-N 575.670 1.924 0 50 KDAA Cc1ncc(S(=O)(=O)NC(=O)c2ccnc(-n3cccn3)c2)cc1C(=O)NCCCCN(C)C1CC1 1875342332 LLWZXYFVLQHCJE-UHFFFAOYSA-N 511.608 1.694 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1cnn(C(C)C)c1)CCNC2=O 2100533615 AZFVKAGIPADSOG-DEOSSOPVSA-N 612.776 1.557 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)Cc2ccc(Cl)cc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772817286 AZPZJRNYKYWQHX-PWUSVURUSA-N 660.171 2.000 0 50 KDAA O=C1CCCN(C(=O)c2ccc[nH]2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857740506 QGKFDYZWQWUZQA-DEOSSOPVSA-N 531.617 1.331 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)CCn4nnnc4C)C3)CN1C(=O)CC2 2356135173 RZFIIXTVRAGGJH-CAOCKLPOSA-N 581.718 1.930 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(C)cc3)n2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 248042923 VOEBONRNAWTOGV-SKFMWMRISA-N 564.617 1.451 0 50 KDAA COCC1CCN(C(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](CCc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N[C@@H](C)C(=O)N2)CC1 952856854 HYOPVGRCJOLBTN-XTPLGNKUSA-N 661.800 1.605 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccncc2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704316097 JYUBTEYITHUHIF-JOJQJIEASA-N 672.783 1.054 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(c3nnnn3Cc3ccc(-c4ccccc4)cc3)C[C@@H](CNC1=O)O2 1857708236 WYMUSTIQARBOSL-VBWFMVIDSA-N 707.836 1.809 0 50 KDAA Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 5273880 DWTAHKFEIVWFGQ-ZEQRLZLVSA-N 639.735 1.066 0 50 KDAA CC(C)=C(C(=O)O)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@H]1S(=O)(=O)CC(=O)c1ccccc1 44123696 XQKYYXJOBOVJJL-NFBKMPQASA-N 500.529 1.395 0 50 KDAA COc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C1CCCCC1)NC2=O 952856068 GRDWAUDGGSVENU-RAPHMYFOSA-N 675.787 1.657 0 50 KDAA CCc1nc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)n[nH]1 1772714250 HOHZECWCQXCFQH-WCYRKSIYSA-N 660.776 1.026 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NCCc1cnc[nH]1)C2 1857706595 MSVRSEUTRZKVGU-NDEPHWFRSA-N 540.665 1.101 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)CN(C(=O)c2ccncc2)CCCOc2cccc(c2)-c2nccn2CCCNC1=O 2100533074 YLSDDSXYIQXKCM-DVECYGJZSA-N 520.590 1.242 0 50 KDAA O=C1CC[C@H](N2Cc3c(cccc3S(=O)(=O)N3CCC(Oc4cccc(F)c4)CC3)C2=O)C(=O)N1 2325899117 OQOFSRGPTFTNBU-FQEVSTJZSA-N 501.536 1.819 0 50 KDAA C=CS(=O)(=O)c1cccc(N2C(=O)c3cc(S(=O)(=O)O)cc4c(N)c(S(=O)(=O)O)cc(c34)C2=O)c1 1585878 TXSWURLNYUQATR-UHFFFAOYSA-N 538.537 1.633 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](NC(=S)Nc2ccccc2Br)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 231426424 PHDLJLBCUHARPE-UHZRXMQZSA-N 561.407 1.819 0 50 KDAA C1CCN(c2nc(N3CCCC3)nc(N3CCN(c4nc(N5CCCC5)nc(N5CCCC5)n4)CC3)n2)C1 334160393 COTNDFKSADKDCY-UHFFFAOYSA-N 520.690 1.784 0 50 KDAA Cc1ccc2cc1OCCn1cc(nn1)CNC(=O)[C@@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC2=O 952856796 MHYQRQDIFKNBGR-JZWVFAODSA-N 541.653 1.085 0 50 KDAA Cc1ccccc1OCCC(=O)N1C[C@@H]2C[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1cn2nn1 952857371 SLLQFANFARQMTL-BVXNIFABSA-N 601.708 1.696 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713893 VOIUDQLNNFUHAJ-OFSOJUDTSA-N 669.791 1.760 0 50 KDAA COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1OC 1444052 GJUFPAZNBPFNRI-UHFFFAOYSA-N 500.595 1.806 0 50 KDAA C/C=C(\C)C(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@H]1OC[C@]13OC(C)=O 261493027 YAOWLIDDDUBAEI-ZVZSAYPQSA-N 921.990 1.281 0 50 KDAA biogenic CC[C@@H]1NC(=O)[C@@H](NC(=O)CCc2ccc(OC)cc2)Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1772702116 BNHXOMVONDSVSB-DIYJFPSDSA-N 693.842 1.640 0 50 KDAA CN1CCCN(CC(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)CC1 1772707787 YVPXONFDEVPXQT-VMPREFPWSA-N 591.709 1.510 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccccc2)Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C1=O 1772714585 YENQRMHXWVKZEY-NVSKSXHLSA-N 591.709 1.563 0 50 KDAA Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cc3ccc(F)cc3Cl)CN2C1=O 1857704873 IYBGYHXZLBKPGM-IKPAXAHWSA-N 704.200 1.225 0 50 KDAA CCN1C[C@@]2(COC)[C@@H](OC(C)=O)C[C@@H](OC)[C@]34[C@H]5C[C@@]6(O)[C@@H](OC(=O)c7ccccc7)[C@H]5[C@](OC(C)=O)([C@H]([C@@H](OC)[C@@H]23)[C@@H]14)[C@H](O)[C@H]6OC 2084072814 RIPYIJVYDYCPKW-RIRUIOQWSA-N 687.783 1.219 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1scc3c1OCCO3)CCNC2=O 2100534194 XUAFRSDMDGEAFM-NRFANRHFSA-N 644.795 1.612 0 50 KDAA CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@@H](O)[C@H]1O 2575697 IPSYPUKKXMNCNQ-ZHRONYKTSA-N 544.737 1.062 0 50 KDAA biogenic,in-vitro O=C(O)CN(CC(=O)O)Cc1ccc2c(c1CN(CC(=O)O)CC(=O)O)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21 164977204 NSKZNAHPGQNGTR-UHFFFAOYSA-N 622.539 1.608 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3csc(CN(C)C)n3)C[C@@H]1NC2=O 1704338082 LEVZJKISBQEVOY-RDPSFJRHSA-N 565.652 1.924 0 50 KDAA COc1cc(C(C)=O)ccc1OC[C@@H](O)CN1CCN(C[C@H](O)COc2ccc(C(C)=O)cc2OC)CC1 22916805 QUZKBGQFFMHUFJ-ZEQRLZLVSA-N 530.618 1.906 0 50 KDAA CC(C)OC(=O)[C@@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 64540179 TTZHDVOVKQGIBA-MOLXTFABSA-N 529.458 1.657 0 50 KDAA in-vitro CC1(C)C(=O)N(C[C@H](O)Cn2cnc3ccccc32)C(=O)N1CN1C(=O)N(C[C@@H](O)Cn2cnc3ccccc32)C(=O)C1(C)C 101655315 TWHWIJWLWZYMJB-OYRHEFFESA-N 616.679 1.851 0 50 KDAA CCOC(=O)CCN(c1ccccn1)[C@@H](c1ccc2c(c1)nc(CNc1ccc(C(=N)N)cc1)n2C)[C@@H](O)[C@H](O)[C@H](O)CO 238791081 UVDBSGYHRCOSLQ-XVVVQISBSA-N 605.696 1.440 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cc2cccs2)CCN(C)C(=O)[C@@H](C)NC1=O 1704323847 HMUQQGQDYRERQN-XGBDYCOJSA-N 709.895 1.912 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)CN(C(=O)CCn2cnc(-c3ccccc3)c2-c2ccccc2)CCNC1=O 1772705072 OXWYGKKORROGHO-VCITYQBUSA-N 712.808 1.879 0 50 KDAA COc1ccc(-n2cccn2)cc1S(=O)(=O)N1CCCC(=O)NCCOc2ccc(C)cc2C(=O)NCC1 1857708557 AAUFLXAHAFNZIU-UHFFFAOYSA-N 541.630 1.899 0 50 KDAA Cn1cnnc1C[C@]1(O)CCCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)C1 1875351255 PHANZJVUZCRAND-QFQXNSOFSA-N 508.648 1.688 0 50 KDAA CCn1c(O)nc2cc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)CC34CCS(=O)(=O)CC4)ccc2c1=O 2325864327 MHGYMQLISGVJKW-SFHVURJKSA-N 520.608 1.666 0 50 KDAA COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C4\C(=O)N(CC(=O)O)c5ccccc54)c(=O)n32)cc1 2668380 VPLBQARAWNCQMJ-UGUGFTGJSA-N 547.589 1.997 0 50 KDAA Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)CCC(=O)O)ccc12 71788394 GAQKKPHZOUJFMZ-OPXMRZJTSA-N 621.691 1.751 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)O)NC(=O)COc2cccc(c2)CC2(CCN(C(=O)c3ccccc3-c3nc[nH]n3)CC2)CNC1=O 952863251 HGBRGGQNKMVITE-OVTZPUTCSA-N 716.840 1.299 0 50 KDAA O=C1NCCCn2cc(nn2)CC2(CCN(C(=O)[C@@H](O)c3ccccc3)CC2)C(=O)N[C@H]1Cc1ccccc1 952865843 YFUSVIIZKXROOJ-DQEYMECFSA-N 530.629 1.410 0 50 KDAA COc1nc2ccccc2nc1CCC(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC2=O 1772704506 MJTBXLPACYNQJB-WCUSUSPOSA-N 781.867 1.229 0 50 KDAA COc1cccc2c1OCC(CN1CCC3(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC3=O)=C2 1772705791 WMWKLUFJSWATGX-MGMSZRMWSA-N 741.842 1.603 0 50 KDAA CC(C)Cc1nc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC3=O)no1 1772714305 KJKIYFNUYASUCT-DCQJQKIRSA-N 719.840 1.288 0 50 KDAA 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)ccn1 2100533444 PKDHOCSFFGNCPE-HKGUVJOISA-N 547.656 1.795 0 50 KDAA Cc1c(NC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OCN3C)c(=O)n(-c2ccccc2)n1C 1065004 KYURSZSJWZZCMX-UHFFFAOYSA-N 547.591 1.860 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3ccc4c(c3)nc(N3CCOCC3)n4C)C[C@@H]1NC2=O 952855862 JAUGYCJWBDRNPM-HOFKKMOUSA-N 602.652 1.242 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1ccc(N(C)S(C)(=O)=O)cc1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772702375 RPCYPIIVSJPAHQ-XXFUAGPLSA-N 751.911 1.080 0 50 KDAA Cc1cc(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)nc(-c2cccnc2)n1 1857714142 TVSFMTZZJWLNNG-JUDWXZBOSA-N 642.761 1.267 0 50 KDAA CCc1nc(C)c(CC(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CC2)c2ccccc24)c(O)n1 1875240931 JMYAVALBGBDVHJ-SFWPYAFRSA-N 532.645 1.670 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cc(C)on1)CCCNC(=O)[C@H]1CN(C(=O)Cc3cn(C)nc3C)C[C@H]21 1875242666 WXCVPECAHPHZCE-PKTZIBPZSA-N 564.643 1.859 0 50 KDAA Cc1nnc(SCC2=C(C(=O)O)N3C(=O)[C@@H](NC(=O)c4nn(C)c(C)c4Br)[C@H]3SC2)s1 2752103 UKQNDAIMFCSTHH-IAQYHMDHSA-N 545.466 1.795 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CN(C(=O)c3[nH]cnc3C)C[C@@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 1704316057 JGTHTHQBHOSEIK-ITGKQZKFSA-N 701.825 1.568 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)[C@@H]2CCCO2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704322364 NIVOVMBFHVUHOH-YNIZLYPCSA-N 676.815 1.085 0 50 KDAA COCCC[C@@]1(C(=O)NCCO)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857696513 DRAUDXLQMMYBOX-NDEPHWFRSA-N 537.617 1.039 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1ccc3c(c1)CCO3)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857741569 YUUXMPFXMJGAKV-NEKDWFFYSA-N 701.777 1.642 0 50 KDAA CC(C)(c1cn([C@@H](Cc2ccccc2)C(N)=O)nn1)N1CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)CC1 2325843452 GBTLZJXWEAJBDL-DEOSSOPVSA-N 527.633 1.750 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(c(OC)c1)O[C@H]1CN(C(=O)c3cnc4ccccn4c3=O)C[C@@H]1NC2=O 2356160491 UWCDOHVYTVOFBE-LVXARBLLSA-N 599.600 1.422 0 50 KDAA CCO[C@@H]1O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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@]3(C)[C@H]2C[C@@H]1C 253499143 RDRPORVAKXEYRR-YCEBDLOMSA-N 740.928 1.442 0 50 KDAA biogenic COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)c3ccc(Cn4cnnn4)cc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704321434 OOYAPGKEKUZMOS-RVQNBHMFSA-N 703.845 1.578 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)Cc1cn3ccsc3n1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772703700 YYTRXPAYPYDWIP-WCUBMSFQSA-N 704.858 1.323 0 50 KDAA Cn1nc(C(=O)N2[C@H]3CC[C@@H]2CNC(=O)c2cc(F)ccc2OCCNC(=O)C3)c2ccccc2c1=O 1857708110 VQVNPOOKIJIUGA-DLBZAZTESA-N 507.522 1.375 0 50 KDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1S(=O)(=O)c1cccc2c1OCCO2 1857709366 TYHLTIVAZWNYQC-RBUKOAKNSA-N 515.588 1.617 0 50 KDAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2)ncn1 3003250 NMEDATZKKJGOBU-UHFFFAOYSA-N 533.588 1.559 0 50 KDAA COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)C23CCCC/C=C\CCCCC12[C@H](C(=O)OC)C(=O)[C@@H]3C(=O)OC 34109588 BYXGTOLZSAQYLZ-FHRRDPMCSA-N 506.548 1.972 0 50 KDAA NCC(=O)N1CC[C@@H]2OCc3cccc(c3)Oc3ccc(cc3)CCC(=O)N(CCCO)CC(=O)N[C@H]2C1 952857357 SFPMCEHHURDWDZ-DQEYMECFSA-N 524.618 1.197 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(C(=O)c3ccc(OC(F)F)cc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713757 RABWEWBEZXMUBF-GSEMILKTSA-N 737.757 1.560 0 50 KDAA Cn1cnnc1C[C@@]1(O)CCCN(C(=O)C(=O)NC[C@H](c2ccccc2)N2CCc3sccc3C2)C1 1875351256 PHANZJVUZCRAND-RLWLMLJZSA-N 508.648 1.688 0 50 KDAA 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](O)[C@]1(C)O 1500979094 ULGZDMOVFRHVEP-SWJYJWKBSA-N 733.937 1.786 0 50 KDAA COCCN1CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCCCN(C(=O)c3ccc4nc(C)c(C)nc4c3)CCCC1=O)C2 1857724871 QLHVMJAAFFOMNC-QHCPKHFHSA-N 618.739 1.485 0 50 KDAA O=C(NCc1ccccn1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 6473911 IQVOYBFAXFADTF-QFIPXVFZSA-N 500.602 1.462 0 50 KDAA CC(=O)N[C@@H]1[C@H](Oc2ccc3oc(=O)sc3c2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 242701924 WSIIBQIRXPPYHU-WVXKDWSHSA-N 511.505 1.198 0 50 KDAA C[C@@H]1CCCCCCCCCCCCCC[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)C[C@H](O)[C@H](C(=O)O)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)[C@H](O)CC[C@H](O)C[C@H](O)C[C@H](O)O[C@H](C)[C@H](C)[C@H]1O 253487389 JQOLDMSUMCLTRF-JOOLHELZSA-N 942.235 1.706 0 50 KDAA biogenic COC(=O)[C@H](C)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 504414448 PVXVBVRGZUTEDV-UWVAXJGDSA-N 594.662 1.735 0 50 KDAA biogenic CCN1CC(=O)N[C@H]2CN(C(=O)CN3CCOC3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952863723 FOSVGKUCJGUNBJ-DQEYMECFSA-N 550.612 1.938 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)Cc2ccccc2F)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714215 FZVSFGODIXZNFG-QHWMMSMNSA-N 662.767 1.888 0 50 KDAA Cc1cc(C)n(CC(=O)N2C[C@@H]3c4cccc(c4)OCCCN(C(=O)CCCn4cncn4)CCNC(=O)[C@H]3C2)n1 2100533012 UPUUOHYZLVOZGP-FTJBHMTQSA-N 562.675 1.541 0 50 KDAA Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1CCC(=O)Nc1ccccc1C(=O)NCc1cn(C)nn1 2325899514 IPSXSSCAYVSWPL-UHFFFAOYSA-N 536.618 1.766 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)[C@H]4COCCN4C)C3)CN1C(=O)CC2 2356135501 HHXUEIZXWGBCMJ-RFRHCEIRSA-N 570.731 1.875 0 50 KDAA COCCN1CC(=O)N[C@H]2CN(C(=O)C3CCN(C(=O)N(C)C)CC3)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952861841 IBWJSJZQXLZQSJ-SVBPBHIXSA-N 608.696 1.582 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CCCn1cccn1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772700792 HLDFEIMIIVABKC-VIZCGCQYSA-N 619.771 1.933 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)Cc3cccnc3)CCCC1=O)C2 1857724109 MHCJGHLMNFKKDM-QFIPXVFZSA-N 551.692 1.210 0 50 KDAA COc1ccc(C(=O)O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@@H]5[C@@]3(C[C@@]3(O)[C@@H]6CN7C[C@H](C)CC[C@@H]7[C@@](C)(O)[C@@]6(O)[C@@H](O)C[C@@]53O)O[C@]24O)cc1OC 169716566 FVECELJHCSPHKY-GLGOOKKESA-N 673.800 1.356 0 50 KDAA in-vitro Cc1nc(CC(=O)N2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)cs1 1772701482 MWTMZZVIDORJPN-BPYKYCOYSA-N 665.821 1.514 0 50 KDAA COc1ccc(CCn2c3c(c(=O)[nH]c2=O)[C@](NC(=O)c2ccccc2OC)(C(F)(F)F)C(=O)N3)cc1OC 1892531 RRCMRONOXDSBAE-XMMPIXPASA-N 548.474 1.945 0 50 KDAA O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOCCOCCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CCOCCOCC1 4577279 PPOAGISAVUIAOP-UHFFFAOYSA-N 692.766 1.876 0 50 KDAA C[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](C)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O 85537068 HRNLPPBUBKMZMT-RDRUQFPZSA-N 817.992 1.754 0 50 KDAA world CSCC[C@@H]1NC(=O)c2cc(ccc2C)OCCCn2cc(nn2)CN(C(=O)[C@H]2CCCO2)CCCNC1=O 1704323809 YRXBFESJMVFTFH-BJKOFHAPSA-N 558.705 1.935 0 50 KDAA O=C1CN(C(=O)Cn2nnc(-c3ccccc3)n2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857741680 YSTCPQPKVKWRLH-NDEPHWFRSA-N 663.743 1.524 0 50 KDAA Cn1cc(C(=O)N(CCCC[S@](C)=O)[C@@H](C(=O)NCC2CC2)c2cn3ccccc3n2)n(C)c1=O 2325839033 HAIMREHLOIQIBM-QGFSVNGOSA-N 500.625 1.240 0 50 KDAA COc1ccc(OC2CCN(S(=O)(=O)c3cccc4c3CN([C@H]3CCC(=O)NC3=O)C4=O)CC2)cc1 2325898933 FPBFJOFPXLPIJA-NRFANRHFSA-N 513.572 1.688 0 50 KDAA Cn1cc(-c2ccc3oc(C(=O)N[C@@H]4CCCN(CC(=O)Nc5ccc(S(N)(=O)=O)cc5)C4)cc3c2)nn1 2325899475 GCHDDIVIENHOHZ-LJQANCHMSA-N 537.602 1.709 0 50 KDAA CC(C)Cc1cc(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)n[nH]1 1772700496 BXFPAHNRMUNLFW-PPJWLVRDSA-N 676.823 1.742 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772713713 PZVZKYSPDDMZIW-OLHXWMNZSA-N 718.896 1.869 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)CN2CCOCC2)CCCOc2cccc(c2)-c2nccn2CCNC1=O 2100533965 NJJPGXDIIMAGKI-XMMPIXPASA-N 540.665 1.141 0 50 KDAA COC(=O)CNC(=O)[C@H](C)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 253410054 MTTFSWICBFBKRV-LIRRHRJNSA-N 527.574 1.953 0 50 KDAA biogenic CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(Cc2cccc(O)c2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322384 NWVKAPPLSUMZKL-FMWRLIIDSA-N 597.782 1.819 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CCS(C)(=O)=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323402 VFCMNMUCLWHIAN-LDTKWQAYSA-N 824.014 1.385 0 50 KDAA CC(C)C(=O)N1CCCC(=O)NCCNc2ccnc(c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC1 1857740375 GZUWVCPBNXZJFV-QHCPKHFHSA-N 508.623 1.345 0 50 KDAA CCCCC[C@H](O)[C@@H]1C(=O)O[C@H](C)[C@H](O)C=CC=CC=CC=CC=C(C)[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H](O)C[C@H]1O 253637614 IMQSIXYSKPIGPD-BFRGFDNFSA-N 654.838 1.888 0 50 KDAA biogenic COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)C3CCN(C(=O)c4ccccn4)CC3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323187 ABUCJCQSHDQFOH-FIPFOOKPSA-N 620.751 1.646 0 50 KDAA CCCN1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772702186 RFHFXVKMULMYNY-BYXVTNLJSA-N 574.682 1.590 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(C(=O)Cc3cn(C)c4ccccc34)CC2)Oc2ccc(cc2)OCCNC1=O 1772713130 FJVTWFNDGXXDCW-MGMSZRMWSA-N 738.842 1.379 0 50 KDAA COc1ccc(Cc2nc3n(n2)CC(=O)NCCOc2ccc(cc2)C[C@H](NC(C)=O)C(=O)NC(C)(C)C(=O)N[C@@H]3C)cc1OC 1857705415 GOYZRFUTLUVHKI-DVECYGJZSA-N 635.722 1.214 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857705506 KHSYQIJCNTWSHB-MWYIXNDJSA-N 710.792 1.677 0 50 KDAA O=S(=O)(c1ccc(N2CCN(CCN3c4cccc5cccc(c45)S3(=O)=O)CC2)nc1)N1CCOCC1 1875313508 SSMPUFZCCFGSLG-UHFFFAOYSA-N 543.671 1.587 0 50 KDAA 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@]1(C)O 169621140 MQTOSJVFKKJCRP-PBUPPNPASA-N 748.996 1.901 0 50 KDAA O=C1N[C@H]2CN(C(=O)c3cnc(C4CC4)nc3O)C[C@@H]2OCc2cn(nn2)CCCOc2cc1ccc2Cl 952857978 YNXVYYVOEABGDB-FPOVZHCZSA-N 539.980 1.927 0 50 KDAA Cc1nc(CC(=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)cs1 952865135 NKWYHDYKEJSRCN-KJQJYJGISA-N 703.266 1.919 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1ccc(Cn3cnnn3)cc1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321585 ARTPCRJQFAJCPV-HHHXNRCGSA-N 601.668 1.385 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)[C@@H]2CCCN2C)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713358 HUVBHCHQFQTXRN-SUGCFTRWSA-N 717.868 1.141 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)Cc1csc(C)n1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714355 NBMJCTFDUTXZHZ-UEOVABOPSA-N 679.848 1.378 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)COc3ccc(F)cc3)CN2C(=O)[C@@H](NC(=O)c2cc3ccccc3cn2)CCCCN1 1857703501 SGCAAPMECZJLON-XAUNCYBDSA-N 676.702 1.287 0 50 KDAA 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CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](OC(C)=O)C[C@@]1(O)CC[C@H]1[C@@H]2[C@H](OC(C)=O)C[C@]2(C)[C@@H](C(=O)O)CC[C@@]12O 257348609 HIWAUMHEHZRTHX-PBMPQNCYSA-N 568.616 1.518 0 50 KDAA COC(C)(C)C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CC1 952865306 OXEIWRFRJGIUDP-IGYGKHONSA-N 661.804 1.694 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(C)nc3ccc(C)cc23)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704323209 BOUQOTAQOKAOEL-JQOFNKIJSA-N 741.890 1.729 0 50 KDAA CCOC(=O)CNC(=O)[C@H](CSC(=O)N(O)c1ccc(Br)cc1)NC(=O)CC[C@H](N)C(=O)OCC 26387435 PYPKSBBTQSNXLR-HOTGVXAUSA-N 577.454 1.333 0 50 KDAA Cc1ccc2c(c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)NCc1cn(nn1)CCO2 952855864 JEKZFTZKHQCXEJ-LPPUWEFUSA-N 589.697 1.672 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCCO3)Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1772703296 KOEVGQYJZJUNPW-XEMLVIOYSA-N 693.798 1.084 0 50 KDAA COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)NCC(=O)Nc3cccc4c3C(=O)N([C@@H]3CCC(=O)NC3=O)C4=O)c2)c(OC)c1 1772768785 AMOFJSISJOOLNX-WUZNFDRSSA-N 763.782 1.875 0 50 KDAA Cc1cnc(O)n1-c1ccc(C(=O)NCCCCNc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)cc1 2325899282 YNKZVESZXSVBGP-NRFANRHFSA-N 544.568 1.910 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)c3cccc4c3CCC4=O)C[C@@H]1NC2=O 952865294 VWJGLXSINBTGMV-OFVILXPXSA-N 517.542 1.648 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)Cc2c(F)cccc2Cl)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704318823 QSNRRJUTVVGMLV-BZBBWFRCSA-N 729.250 1.285 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(Cc2ccccn2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772703457 LLHHKEIDADDWCQ-LPPUWEFUSA-N 589.697 1.578 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)[C@@H](C)O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 2100533186 DYYPYQVDKFJCRR-OFNKIYASSA-N 549.628 1.394 0 50 KDAA O=C(CCN1C(=O)C=CC1=O)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)cc(F)c1F 230490992 LKZRDWRFDOPKGN-UHFFFAOYSA-N 564.485 1.036 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](NC(=O)C(C)(C)N)Cc3ccc(cc3)OC[C@H](CC(C)C)NC(=O)CN(CC3CC3)C(=O)[C@@H](C)NC2=O)cc1 1772817731 IEZVAIKLUOUDEZ-RNNJVSDQSA-N 706.885 1.854 0 50 KDAA Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@@H](C(C)C)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N2)n1 952864302 ZSVMPBBHLIBDES-JVGMMHMTSA-N 675.709 1.219 0 50 KDAA Cc1noc(C)c1CCC(=O)N1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c2cc(on2)C1 1772713832 TYUZBMDSXILFRS-SACAOSOOSA-N 649.749 1.747 0 50 KDAA COc1cccc(CC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)c1 1772714477 SKUOTMDFKAEUKL-ZDQHWEPJSA-N 699.805 1.923 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCCOc2ccccc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857706378 HURRXAIBSNGZCU-YDZBWFOPSA-N 683.766 1.695 0 50 KDAA CC(=O)Nc1ccc(S(=O)(=O)N(CCCn2cnc3c2c(=O)n(C)c(=O)n3C)Cc2ccco2)cc1 1875346123 UBAWWZXNBSTDAZ-UHFFFAOYSA-N 514.564 1.266 0 50 KDAA O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccccc1C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1 165003298 YIDJJGFGEMPGOA-NSOVKSMOSA-N 712.716 1.923 0 50 KDAA in-vitro C[C@H]1[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 253506287 SKHJNNFXCKTDBG-YNKMASSISA-N 708.886 2.000 0 50 KDAA biogenic CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)CCc2cccnc2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714408 PELQGFQILIRQEX-GDKKVTFASA-N 631.734 1.538 0 50 KDAA O=C1CCCN(C(=O)c2cccnc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857741095 CFLZFRPCCOJGRB-VWLOTQADSA-N 543.628 1.398 0 50 KDAA CN(C)CCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCCN(C)C)ccc1-2 1826275 KBZJZZSHOCEZHD-UHFFFAOYSA-N 508.666 1.358 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OP(=O)(O)O 3920020 LIQODXNTTZAGID-OCBXBXKTSA-N 668.541 1.105 0 50 KDAA in-man CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COc3cccc(-c4nnco4)c3)CC2)cc1 12364389 XNDSKDLPJWHIKL-HXUWFJFHSA-N 501.565 1.441 0 50 KDAA Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)O)ccc12 255976310 HHPVJKZZYOXPLH-SVMVAKDDSA-N 564.595 1.642 0 50 KDAA CC(C)(C)OC(=O)NCCOCCOCCN(CCOCCOCCNC(=O)OC(C)(C)C)C(=O)CCN1C(=O)C=CC1=O 725325825 YVJUWISEQMFTOR-UHFFFAOYSA-N 630.736 1.246 0 50 KDAA Cc1cc(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)no1 952863755 FWJQMPIURGPBSH-SGGJORCASA-N 673.171 1.522 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)c2ccccc2F)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714309 KQIBEXQPQONEBW-SGIRGMQISA-N 684.795 1.508 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1ccc3c(c1)OCCO3)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714547 WNGACCWRIRPHDU-NEEKEDPPSA-N 681.816 1.890 0 50 KDAA COc1ccc([C@@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)n3ccccc3nc2=O)cc1 1776111247 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686.810 1.865 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cn3cccnc3n1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714433 QFZCJXNSRVNHMN-YWEHKCAJSA-N 628.738 1.613 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)C3CCOCC3)CN2C(=O)[C@@H](NC(=O)COc2ccc(Cl)cc2Cl)CCCCN1 1857699386 ONQILXVCRNVGOD-SWUCNREESA-N 684.574 1.019 0 50 KDAA COCC[C@@]1(C(=O)NCC(C)(C)OC)CNC(=O)CCCN(C(=O)C2CCOCC2)CCCNC(=O)COc2ccc(cc2)C1 1875242437 SXBKJDTUNAEJGM-XIFFEERXSA-N 632.799 1.844 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)CCc2cnccn2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952857222 JRLYXUJSPZNNKO-HJIQQCSTSA-N 695.825 1.692 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1ccc3nn[nH]c3c1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704324758 RLYCFSVFHWZKJP-RUZDIDTESA-N 560.615 1.622 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2nonc2C)CCNC(=O)COc2cc(ccc2OC)C1 1775981975 FFXQQCZPCXFMTQ-LJAQVGFWSA-N 585.658 1.826 0 50 KDAA Cn1ccnc1[C@]1(CNC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)NC(=O)NC1=O 1875328609 BPKNOOBKFZXRLD-DEOSSOPVSA-N 508.560 1.026 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccccc3-c3nccn3C)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772702415 SIIXPVHNLLLNHW-RGNZVSRXSA-N 765.868 1.747 0 50 KDAA CC(C)Cc1nc2ccc3cc2n1CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(C(=O)[C@H]1CCCO1)CCNC3=O 1800430756 XTBPFKYHUHZDCR-SHFQUTHWSA-N 673.815 1.724 0 50 KDAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(N)=O)c4ccccc43)c(=O)n2[C@H]1c1ccccc1 2282020 VKTMRTPUPMSNAR-AGGMBTAESA-N 502.552 1.000 0 50 KDAA Cc1noc(C)c1CCC(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(O)cc(c2)C(=O)NCCC1 952857481 ZOISOJPNNFJIIQ-IBGZPJMESA-N 557.648 1.714 0 50 KDAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)Cn2cc(C)c(O)nc2=O)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704324671 CNGRBCFFBBEBHG-XEPZGSHASA-N 731.851 1.581 0 50 KDAA CC(C)C[C@H]1NC(=O)CCCN(C(=O)[C@@H]2CCCO2)CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772700656 HSNIWNRFQWWKIA-WWNPGLIZSA-N 567.691 1.571 0 50 KDAA COCCN1CCC(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)c3cc(on3)C2)CC1 1772705710 ZJVHCMGSPCASJD-RVQNBHMFSA-N 701.825 1.065 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cc2ccc(F)cc2)CCN(C)C(=O)[C@@H](C)NC1=O 1704316398 OIJVAHHCJSYYIY-HFIHNMJYSA-N 721.856 1.989 0 50 KDAA COc1ccc(-c2cc(CO[C@H]3O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]3OC(C)=O)on2)cc1 253528741 RSFOBATZWJSMJB-GIDFYXQGSA-N 535.502 1.950 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(Cc2cnc(-c3ccccn3)nc2)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952864176 YKVMSVAHWWVXMI-BBKBELTISA-N 702.857 1.775 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)Cn3nccn3)C[C@@H]1OCc1cccc(c1)O2 952864895 NQBUGCPIRIKOFD-UIOOFZCWSA-N 593.641 1.325 0 50 KDAA Cc1cc(C)c(-n2cccn2)c(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)c1 1704323477 TXWGSUDVBHOZDV-BKMJKUGQSA-N 569.670 1.556 0 50 KDAA Cc1cccc(CN2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)n1 1772713111 DNLNRIXTZLLRQB-GDKKVTFASA-N 603.724 1.887 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccccc2-n2cncn2)CCNC(=O)COc2cccc(c2)C1 1857702453 BVQREBFAJKXUQK-HKBQPEDESA-N 606.680 1.553 0 50 KDAA Cn1cc(CN2CCCCNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(n3)NCCNC(=O)C2)cn1 1857725071 VHYFKJGEHIQSRG-SANMLTNESA-N 571.686 1.578 0 50 KDAA COCC(=O)N1CCCOc2cc(ccc2OC)-c2nccn2CCCNC(=O)[C@@H](C(C)C)NC(=O)C1 2100533050 XCTSXQLNTBIRPB-XMMPIXPASA-N 515.611 1.463 0 50 KDAA COC(=O)[C@H](C)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 105262060 PVXVBVRGZUTEDV-FUHIMQAGSA-N 594.662 1.735 0 50 KDAA COC(=O)[C@H]1O[C@H](OCC(=O)[C@H]2CC[C@H]3[C@H]4CC[C@@H]5C[C@H](O[C@@H]6O[C@@H](C(=O)OC)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]6OC(C)=O)CC[C@@]5(C)[C@@H]4[C@@H](O)C[C@@]23C)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257350132 UYXUPMIOZXMSKD-OLCKPLRWSA-N 983.023 1.973 0 50 KDAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)CCN1CCCC1=O)CCCNC(=O)CC2 952858160 VPKKPIVYJTUEBS-QFIPXVFZSA-N 587.718 1.111 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(Cc3ccc(F)c(Cl)c3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952863772 SNDIFASDRUVZNW-HTAPYJJXSA-N 527.988 1.546 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cccnc2)C[C@H](Cc2ccccc2)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](C)N(C)C1=O 1704317418 HTYKUWJKASALNL-QIDVEAJRSA-N 663.820 1.288 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCCS(N)(=O)=O)CCCCNC(=O)[C@@H](C)NC1=O 1704326135 YFXYGGOFPOLYGI-OFQAEJFBSA-N 684.860 1.371 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CN3CCN(c4ncccn4)CC3)C[C@@H]1NC(=O)CC2 1772714394 OODOEHVEZLLRSL-WNJJXGMVSA-N 629.718 1.023 0 50 KDAA CCOC(=O)[C@]1(CCC(C)C)CNC(=O)CCCN(S(C)(=O)=O)CCNC(=O)COc2ccc(cc2OC)C1 1857689161 KCCMGYXOLCZBKL-MHZLTWQESA-N 569.721 1.890 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)[C@H]3CCCO3)CN2C(=O)[C@@H](NC(=O)c2cccc(-c3cccc(F)c3)c2)CCCCN1 1857704863 IRPNBKMBBMICRW-VNGQLYDISA-N 665.719 1.506 0 50 KDAA Cc1nc(SCC(=O)N2CCCNC(=O)c3nn(CCC(C)C)c4c3C[C@@H](CC4)NC(=O)CCC2)n[nH]1 2100533917 LEPHHRYALFFTSI-GOSISDBHSA-N 530.699 1.864 0 50 KDAA O=C(OC[C@H]1O[C@](O)(COC(=O)c2cccnc2)[C@@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1 4217093 FUWFSXZKBMCSKF-ZASNTINBSA-N 600.540 1.819 0 50 KDAA in-man O=C1CN2C(=O)[C@]3(CCN(C(=O)CN4CCOCC4)[C@H]3c3cccc(c3)OCCCN1)c1ccccc12 952863753 FUHYBDYFXJIZIQ-XTEPFMGCSA-N 504.587 1.476 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)CN(c3cccc(C)c3)S(C)(=O)=O)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323029 SHDCTFBZMUOUON-HOFKKMOUSA-N 629.780 1.473 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(C(=O)c2n[nH]c3c2CCCC3)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713589 LUCKQFIHNAEJEW-LIKDZFNVSA-N 646.749 1.425 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)CN1CCc3ccccc3C1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713711 PJINSVXGCXDKTC-MTCZNSJKSA-N 713.884 1.429 0 50 KDAA CC(=O)OC[C@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857524761 NOKCKQRHADLYOG-NHHRDBGBSA-N 565.572 1.398 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1ccc3c(c1)N(C)C(=O)CO3)CCNC2=O 2100532990 SDVBOYAIXMZTLK-DEOSSOPVSA-N 665.792 1.135 0 50 KDAA CC(=O)NCCOc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1OCCNC(C)=O 12364276 HVYKMIIVTLJCGR-UHFFFAOYSA-N 518.592 1.644 0 50 KDAA 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[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1 195983050 BVDGQVAUJNUPGW-JGSSSOFVSA-N 646.642 1.058 0 50 KDAA biogenic Cc1nn(CC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)c(=O)c2ccccc12 952858176 WLPWPMPUSCIDER-ZCYQVOJMSA-N 578.029 1.959 0 50 KDAA CC(=O)N1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC2=O 1772713572 LDUGURGLBQWNIR-KKVCJECGSA-N 621.735 1.328 0 50 KDAA CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O 257355199 PJENNOWAVBNNNE-BKKFENPESA-N 584.739 1.925 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)CCc3c(C)noc3C)C[C@@H]1NC2=O 952862170 GPVZGLNIFWUVKC-REWPJTCUSA-N 510.551 1.443 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@H]1CN(C(=O)c3ccc(Cn4cccn4)o3)C[C@H]1CC(=O)NCCN(C)C2=O 1616118612 RJTDVJXWPOEIPM-XXBNENTESA-N 588.625 1.609 0 50 KDAA CC[C@H]1CN(C(=O)CCC2CCN(C)CC2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704316788 AJOASFPANPPHHW-OHXOMFROSA-N 612.816 1.609 0 50 KDAA Cc1cc(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)c2c(C)noc2n1 1772702134 DSAMNVYIMIACFB-LPPUWEFUSA-N 672.743 1.977 0 50 KDAA COc1ccc(F)c(F)c1C(=O)N1CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)c2nc(C)nn2CC(=O)NCC1 1772704020 LPGYLFZXMAXTII-ZQBNOCPASA-N 710.783 1.971 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772817799 XKEYPFPYZJUMTB-QLCOJLISSA-N 669.735 1.075 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cnccn1)CCCCNC2=O 1857704992 NQTLUHATMUXOBN-MMFLPWJGSA-N 719.796 1.575 0 50 KDAA O=C1CC[C@@H](N2Cc3c(cccc3S(=O)(=O)N3CCN(C(=O)OCc4ccccc4)CC3)C2=O)C(=O)N1 2325899220 VFZTYPYDYUXQKO-HXUWFJFHSA-N 526.571 1.091 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2csc(-c3ncccn3)n2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704317297 IKSGJYSVKBENNR-KJWPAHLWSA-N 634.763 1.277 0 50 KDAA Cc1ccc(F)cc1C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)c3ccc(-n4ccnc4)cc3)CN2C1=O 1857696526 FMLQDFSXJOIXDK-OHXOMFROSA-N 675.718 1.467 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)Cc1[nH]cnc1C)CCCCNC2=O 1857704703 BXEGZCCWEQAXEM-SKUKJQFRSA-N 735.839 1.745 0 50 KDAA O=C1CCCN(C(=O)c2ccncc2)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857740668 TXKBYHUTGZPEML-VWLOTQADSA-N 543.628 1.398 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)CN1CCOc3ccccc3C1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857741508 WCEZPSXVAYCORK-FREGXXQWSA-N 744.846 1.288 0 50 KDAA C[C@H](OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@@H]2[C@H](NC(=O)Cc3csc(N)n3)C(=O)N12 3920241 VVFDMWZLBPUKTD-UYGSHGSRSA-N 695.850 1.637 0 50 KDAA in-man CC(=O)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1N(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(N)=O)C(=O)O 1772717783 JMZFFUIKTUNANK-MJCYOTSPSA-N 683.667 1.222 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](Oc2cc(OC(=O)c3ccccc3)cc(O)c2C(C)=O)[C@H](O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 4565923 NLPHKCUZRMXOIC-VNXBHDGDSA-N 560.508 1.705 0 50 KDAA COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(O[C@@H]4O[C@@H]([C@H](O)CO)CO[C@H]4OC)cc(OC)c3[C@]2(O)[C@@H]1O 95099283 GVKXFVCXBFGBCD-QKDMMWSPSA-N 654.665 1.573 0 50 KDAA biogenic,in-vivo CN1CC(=O)N[C@H]2CN(C(=O)CN3CCOCC3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952857627 SJQWGBSEJTUYCT-RRPNLBNLSA-N 550.656 1.818 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)Cn1cccn1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952863684 RVHRPMPCBCEYMZ-SANMLTNESA-N 600.680 1.495 0 50 KDAA CSCC[C@@H]1NC(=O)c2ccc(C)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704319331 VIZWHSAZPHSEOM-DQFIBICCSA-N 651.790 1.130 0 50 KDAA CC[C@@H]1NC(=O)CN(C(=O)COC)CCCNC(=O)c2ccc3nc(C)n(c3c2)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O 1775983558 NJYXRZHKWQQTOR-LITSAYRRSA-N 672.787 1.563 0 50 KDAA 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]6CC[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[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2080911058 YFGQJKBUXPKSAW-GGBGDHAASA-N 969.128 1.642 0 50 KDAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCN(C(=O)c2cn(C)cn2)CCCC1=O 2356135532 IUHHECNGTDBQAM-LJAQVGFWSA-N 536.677 1.995 0 50 KDAA CC(C)C[C@@H](NC(=O)[C@H](N)CCCCN)C(=O)N[C@@H](C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C)C(=O)O)C(C)C 150353432 MHTAOFNATLIOTI-XMPJBLIUSA-N 723.916 1.159 0 50 KDAA Cc1cccc(C(=O)N[C@H]2Cc3c([nH]c4ccccc34)SC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC2=O)c1O 952856064 GDMWDFHSJASNSL-RJBDAWTMSA-N 724.837 1.099 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)CSC)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952856307 DNSQYGOFHFAHDF-WKJFVQFFSA-N 661.826 1.368 0 50 KDAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(C(=O)CCO)C[C@@H]2N1 952856702 AGQCOSIUIIOMDQ-UIOOFZCWSA-N 539.629 1.621 0 50 KDAA CC(C)C[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952869870 NWDXVCGHUAWAGI-ZHNHNGCZSA-N 640.141 1.378 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCn2ccc(O)nc2=O)CCCCNC(=O)[C@@H](C)NC1=O 1704305941 RXJFFAFHGVVTHE-TZFWCWEWSA-N 701.825 1.655 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H](Cc2ccccc2)NC1=O 1704318045 NADJVLKOEGOKIT-WKUPFTMFSA-N 614.747 1.917 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)C(C)(C)c2ccccc2)CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O 1704338003 JUDXAKBERLAENF-VYADMOTASA-N 704.869 1.084 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1ccc3nc[nH]c3c1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772702130 PSXCJTOESUQKGQ-PMRBOCSDSA-N 684.802 1.561 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)[C@@H]1CCCO1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772703518 NXUGBGZAKQWMDL-DXBVXKBHSA-N 581.718 1.435 0 50 KDAA CCOCC(=O)N1CCCNC(=O)Cn2nc(C)nc2[C@H](C(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)CCC1 1772713722 PUEWSGJTXUVIEC-KCWPFWIISA-N 569.707 1.293 0 50 KDAA COC[C@H]1CCN(S(=O)(=O)c2cc3nc(N4CCC(CCN5CCCS5(=O)=O)CC4)ncc3s2)C1 2325823561 XLAOKXIYWHBZMR-SFHVURJKSA-N 543.737 1.990 0 50 KDAA Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)c1cc(CC(C)C)nn1C)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952862654 CMPLJOKQEHQEEN-ZBLYBZFDSA-N 594.717 1.282 0 50 KDAA Cc1cc(C)cc(N2CCN(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=O)c1 952866051 YDUAFNRAZSKGNA-ARFQCTDUSA-N 674.799 1.235 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(C(=O)c3c(Cl)cccc3Cl)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1616118650 SUNODCIAEAKEDU-QRWLVFNGSA-N 558.426 1.700 0 50 KDAA CCn1nc(C(C)C)cc1C(=O)N1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]1C 1704317941 LEPNQYASMNNCTB-ATILKMQGSA-N 609.772 1.704 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CNC(C)=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704331221 LACWZZYUMMDAGO-NYHWNOQPSA-N 788.947 1.086 0 50 KDAA COc1ccc([C@@H](CC(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)c2c(O)n3ccccc3nc2=O)cc1 1776111557 FBSCIKZYNZBTEK-LJQANCHMSA-N 527.537 1.750 0 50 KDAA CN(CCN(C)C(=O)CC[C@H]1Cc2ccccc2NC1=O)Cc1cn(Cc2nc(O)c3c(n2)CCOC3)nn1 2325826066 NMWJPMAVZPOGPN-IBGZPJMESA-N 534.621 1.376 0 50 KDAA CC(=O)N[C@H]1[C@@H](OC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 77292786 ORICVOOXZDVFIP-VOZJJELXSA-N 656.641 1.651 0 50 KDAA in-vitro COCCN1CC(=O)N[C@H]2CN(c3cncc(C(N)=O)n3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952857285 LENAARPYZVKTPK-IGKIAQTJSA-N 604.664 1.688 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cc(F)ccc2OCCn2cc(nn2)CCN(CC(=O)N2CCCCC2)CCNC1=O 952863949 FARSJFLWFYUWHT-XMMPIXPASA-N 557.671 1.628 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)Cc2ccsc2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704318626 PUTCVTCCNNYSJR-SEIBCYHCSA-N 569.728 1.354 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CN3CCCCC3=O)C[C@@H]1NC2=O 1704322964 MLUJHNDUSUAQHJ-URXFXBBRSA-N 536.585 1.105 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3nc(N)nc4c3CCCC4)C[C@@H]1NC(=O)CC2 1772817716 VQYCLQXRECKNKE-IGKIAQTJSA-N 600.676 1.976 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)CCc2cc(Cl)no2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772703473 NPDSHVXXTCHRBG-YMSRPXOMSA-N 665.147 1.378 0 50 KDAA COc1cc2ccc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3CCOCC3)C[C@@H]1NC(=O)CC2 1772713519 KJIFUNYGRSTRPV-OZXSUGGESA-N 537.613 1.838 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)CN2CCCN(C)CC2)CCNC(=O)COc2cc(ccc2OC)C1 1857702399 LVMNPLPCIGVERH-XIFFEERXSA-N 629.799 1.458 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NC(=O)[C@H]3CCCO3)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857726620 ZYUQUVKTLFUWLN-ZUTMMEPKSA-N 675.743 1.976 0 50 KDAA O=C1CN(C(=O)c2cccnc2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857741486 VEAJJTSKKLCYLW-SANMLTNESA-N 582.665 1.880 0 50 KDAA CCC(CC)C(=O)NCc1cn(C[C@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)c2ccc3nn[nH]c3c2)nn1 2325843079 SXRVZRCJRFFMPY-OFNKIYASSA-N 521.626 1.898 0 50 KDAA CCN1C[C@@]2(COC)[C@H](OC(C)=O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC(=O)c7ccccc7)[C@@H]5[C@@](OC(C)=O)([C@@H](O)[C@H]6OC)[C@@H]([C@H](OC)[C@@H]23)[C@@H]14 257531442 RIPYIJVYDYCPKW-CFXQNURDSA-N 687.783 1.219 0 50 KDAA N=C(N)NCCCCC(=O)Nc1ccc(C[C@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)O)cc1 504345508 BLLLAUHTNAVSQR-VXKWHMMOSA-N 558.661 1.244 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCCc2cccc(Cl)c2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952856091 IVTVFKGNBFCCMH-UZLRBNBQSA-N 626.154 1.755 0 50 KDAA COc1ccc(C2(C(=O)N3C[C@H]4CC(=O)NCCN(C)C(=O)c5cccn(c5=O)Cc5cn(nn5)[C@H]4C3)CCCC2)cc1 1616118873 YXNAKFWVKUVLLM-RLWLMLJZSA-N 587.681 1.600 0 50 KDAA O=C1CN(C(=O)C2CCN(C(=O)c3ccncc3)CC2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857702580 OLLMICFGMMBQKS-UHFFFAOYSA-N 528.009 1.745 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@@](CC1CC1)(C(=O)NC1CCN(c3cnccn3)CC1)C2 1857704543 WONQCCVNZNZJEQ-YTTGMZPUSA-N 607.756 1.594 0 50 KDAA O=C1CN(Cc2ccccc2)CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCN1 1857710780 PBLOWMXWAZVBMJ-VWLOTQADSA-N 518.618 1.658 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccncc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713841 UHEUWQKVLAQNRM-SGIRGMQISA-N 631.738 1.215 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2ccncc2)CCNC(=O)COc2cccc(c2)C1 1775983891 UZTNYTZXUFTQEP-NDEPHWFRSA-N 540.617 1.367 0 50 KDAA COCCC[C@]1(C(=O)N2C[C@H]3C[C@H](O)[C@H](O)C[C@H]3C2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857699762 XQGZTHNAKSZGPN-QAGBZPTDSA-N 633.746 1.521 0 50 KDAA CCOC(=O)c1ccc(CNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2C)o1 12411126 MMXHJVBCTFJKFG-UHFFFAOYSA-N 525.587 1.969 0 50 KDAA Cc1cc(C(=O)N2CC(=O)N[C@H](Cc3c[nH]c4ccccc34)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)c2c(C)noc2n1 1704337637 BYGOYGRZUBABIV-QGTHAJGMSA-N 756.861 1.661 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)c3ncc[nH]c3=O)C[C@@H]2Oc2ccc(cc2)CN1 1772816701 ABJKIANIWBJSSN-ZEQRLZLVSA-N 559.579 1.269 0 50 KDAA COc1ccc(CN2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)cc1Cn1cncn1 1800430435 MUJSSKMGKXVVEN-LUXHBGHRSA-N 727.871 1.828 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@H](NC(=O)[C@@H]1COC(=O)N1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857712389 XXIYKCFWWQCHAH-KQDVIXQYSA-N 716.840 1.887 0 50 KDAA CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)n(O)c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 605699412 YPYAHPDTNKADJQ-VJEVGVLASA-N 545.457 1.367 0 50 KDAA Cc1nc[nH]c1C(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CC1 952855903 PFFUVGXXLDPVBZ-SGGJORCASA-N 672.187 1.257 0 50 KDAA CCC[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952856129 MIFQLUNJBPRUMC-IUGKGNRASA-N 626.114 1.132 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3ncccc3C)CN2C(=O)[C@H](C(C)C)NC1=O 952861770 GUABXRATSNBKFY-NKJINAAHSA-N 679.844 1.234 0 50 KDAA CCc1ccccc1NC(=O)CCC(=O)N1C[C@H]2CC(=O)NCCN(C)C(=O)c3cccn(c3=O)Cc3cn(nn3)[C@H]2C1 1615696265 LKVRBCLNCSCLOX-BWKNWUBXSA-N 588.669 1.061 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)CCn2cnc3ccccc32)C[C@H](Cc2ccccc2)NC1=O 1704323189 AEIOPMIYYPBWDZ-RNAYIWJISA-N 629.762 1.633 0 50 KDAA COc1nc2c(cc1C(=O)N[C@H]1Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC1=O)C(=O)N(C1CCCC1)C2 1772818032 WUCKTJIAMBXKFF-JPBRBXQBSA-N 765.868 1.719 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CN2CCN(c3ncccn3)CC2)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775981996 FVYVNROVKPIGIP-NGQVCNFZSA-N 676.823 1.134 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857705733 SSXWSPPAQRACMW-ZRKWFTTGSA-N 693.765 1.345 0 50 KDAA COCCN1CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCCCN(C(=O)c3nc(-c4ccc(F)cc4)[nH]c3C)CCCC1=O)C2 1875251652 JQCMJNYSNFYUIX-QHCPKHFHSA-N 636.729 1.762 0 50 KDAA CCn1cc(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 2100533235 HABZTBBVNFOIBN-ZRCDDJQWSA-N 520.678 1.968 0 50 KDAA CC(=O)O[C@@H]1[C@H](C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H](O)[C@H]1OC(C)=O 100828910 SXOZSDJHGMAEGZ-QZUCQNPNSA-N 516.455 1.925 0 50 KDAA endogenous,in-man O=P(O)(O)[C@]1(Cc2cccnc2)O[P@](=O)(O)[C@](Cc2cccnc2)(P(=O)(O)O)O[P@@]1(=O)O 212591882 SEZUEFYYUDYBTC-KBPBESRZSA-N 530.196 1.342 0 50 KDAA CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@H](C(=O)NC2CCN(Cc3ccccc3)CC2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952855904 PHKAIVQDTNETLJ-VAKKJXARSA-N 660.816 1.524 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cc2ccc3c(c2)OCO3)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704321800 ALKZJVGKNDQCGF-PNXYOHRJSA-N 740.858 1.877 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2cnn(-c3ccccc3F)c2)C[C@H]2OCC[C@H](NC1=O)[C@@H]2O 1704359632 WTDJSRXZRRFDLS-AIQAYEJBSA-N 717.843 1.711 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)CC(C)C)CCNC2=O 2100533340 KYSXTWDIWVFMMY-QFIPXVFZSA-N 560.740 1.512 0 50 KDAA CNC(=O)[C@@H]1CCCN(c2cc(Br)ccc2S(=O)(=O)N2CCC[C@H](S(=O)(=O)N(C)CCOC)C2)C1 2325823034 CEYJNHRDXZICLD-MJGOQNOKSA-N 595.582 1.473 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2nn(C)c3ccccc23)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704321405 NCOOUANTBHPWGV-JWVZEJEHSA-N 649.818 1.640 0 50 KDAA COc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCC(=O)N[C@@H]([C@@H](C)O)C(=O)N(CC4CC4)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H]3C2)ccn1 1704322052 FVJOSMAWRPUOOJ-XETDBMOESA-N 712.804 1.039 0 50 KDAA COc1cc2c(cc1OC)[C@@H]1c3ccc(cc3)OCCOCCN(C(=O)CNC(C)=O)CC(=O)N1CC2 1704328136 XRXXRHTUMZTEGN-MHZLTWQESA-N 511.575 1.552 0 50 KDAA CN(C[C@H](O)Cc1ccccc1)C(=O)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1875329193 JFTLNTDOOFQBLT-OAQYLSRUSA-N 509.994 1.597 0 50 KDAA Cc1cc(C)n(CCC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)n1 952865629 TZAMXSHJTZMOGY-VWLOTQADSA-N 546.676 1.580 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CNC(=O)N(C)C)C[C@@H]1OCc1cccc(c1)O2 952869254 NMAKOQHHTMGTHX-UIOOFZCWSA-N 612.684 1.304 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCc3c(C)noc3C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316959 DQSWFIPZESEBSV-KZNIJNHCSA-N 654.809 1.979 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2cnc(C)nc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772703023 WLZBMXBTHABTIG-HSRBSRBISA-N 726.835 1.459 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2cnc3ccccc3n2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714480 SOLUEGMATKIFBL-PWUSVURUSA-N 663.735 1.361 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CCn1nnnc1C)CCCCNC2=O 1857707747 ZMHDHEKDAIPNCN-SSEXGKCCSA-N 650.737 1.991 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1c(C)nn3c(C)cc(C)nc13)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740012 DRJHYXRLTLDTAF-LBNVMWSVSA-N 742.834 1.675 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)N(C(=O)C2CC2)CC[C@H]2CC=C(CCn3cc(nn3)CNC1=O)C2(C)C 952857113 JJEYJRSBHFDJGB-ZHSOARKRSA-N 617.817 1.391 0 50 KDAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)CNC(C)=O)CC(=O)N1CC2 1704328134 XRXXRHTUMZTEGN-HHHXNRCGSA-N 511.575 1.552 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(C(F)(F)F)nc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772702416 JYJUITKJDAQYIA-YMSRPXOMSA-N 680.684 1.831 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ncc(F)cc2F)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713235 DKOSHSJWZLRGLH-RRWZXMNXSA-N 648.667 1.091 0 50 KDAA COC(=O)c1ccsc1N1CC[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(C)=O)c2ccccc2)C1=O 1875322239 MZJGKJNAHKWAQD-UFYCRDLUSA-N 512.588 1.625 0 50 KDAA COC(=O)c1cn(C[C@H]2CN(C(=O)NCc3nc(-c4ccc(Br)cc4)n[nH]3)CCO2)nn1 1875351830 KPMNEWRRBVOEMS-CQSZACIVSA-N 505.333 1.223 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(S(=O)(=O)c1ccc3c(c1)n(C)c(=O)n3C)CCCNC2=O 2356139156 CHNBVTBQEYSIQQ-NDEPHWFRSA-N 668.777 1.502 0 50 KDAA COc1ccc(OCc2ccc(C(=O)N[C@@H]3C(=O)N4C(C(=O)O)=C(COC(C)=O)CS[C@H]34)o2)cc1 15947436 JSTZNMSVBVDXIM-XMSQKQJNSA-N 502.501 1.783 0 50 KDAA O=CC(=O)c1ccc(-n2cc(COCCOCCOCCOCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@H]43)nn2)cc1 103621624 KYCJOMMRJCOZMY-DKRHUIDYSA-N 632.740 1.057 0 50 KDAA C[C@@H]1[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[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[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC[C@H]1C 253389446 LDCLXZSKVDYDBF-ZJAWDQIOSA-N 810.975 1.237 0 50 KDAA biogenic,in-vitro COc1ccc(-c2oc3c(=O)cc(C)oc3c2CC(=O)NCCC(=O)NCc2cc(=O)n(C)c(=O)n2C)cc1 824692096 IDBBDVHTONLIEZ-UHFFFAOYSA-N 536.541 1.133 0 50 KDAA CCn1nccc1S(=O)(=O)N1C[C@@H]2NC(=O)c3ccc(Cl)c(c3)OCCCn3cc(nn3)CO[C@H]2C1 952864375 FYNWDOXLFAIBEN-ICSRJNTNSA-N 536.014 1.319 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(Cc3cccc4cc[nH]c34)CC2)Oc2ccc(cc2)OCCNC1=O 1772702107 BMTYEYCWXQQEGX-FXZLDBAYSA-N 696.805 1.799 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)CN1CCOC1=O)CC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCn1ccnc1-2 1940195667 WXPCDJXOZYXHRJ-DEOSSOPVSA-N 604.664 1.466 0 50 KDAA O=C(NCc1ccccn1)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 835613 IQVOYBFAXFADTF-JOCHJYFZSA-N 500.602 1.462 0 50 KDAA CCC[C@H](N)C(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccc(OC)c2OCCCn2cc(nn2)CC1 952857827 PTPALTRETPKANK-UIOOFZCWSA-N 591.713 1.725 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCn3nccc3C)C[C@@H]1NC2=O 1704316458 QDNFVDBTNNBEIN-DHLKQENFSA-N 533.585 1.687 0 50 KDAA COCCN(C)CC(=O)N1CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)C1 1772816910 DTKBCASHXSARCP-LVXARBLLSA-N 625.752 1.808 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)/C=C/c2ccccc2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857697881 PVISMHJZOWHVDZ-GCGDQYQASA-N 651.724 1.549 0 50 KDAA COc1ccc(CCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCOCC4)cc3c2=O)cc1OC 8596626 SQJTZOJONMRRKR-UHFFFAOYSA-N 515.588 1.549 0 50 KDAA CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](O)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]12)C3(C)C 38152761 YWLXLRUDGLRYDR-JVBITNCCSA-N 544.597 1.082 0 50 KDAA biogenic COc1cccc(-n2c(=O)[nH]c(O)c(C(c3ccccn3)c3c(O)[nH]c(=O)n(-c4cccc(OC)c4)c3=O)c2=O)c1 106573177 PQNQXNSBEZWXFT-UHFFFAOYSA-N 557.519 1.369 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCS(C)(=O)=O)CCCCNC(=O)[C@@H](C)NC1=O 1704325163 XUZADEVFHUMNLO-OFQAEJFBSA-N 669.845 1.737 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)c2cccc(N(C)C)c2)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857706822 RRYWORDCIYMVFI-ZRKWFTTGSA-N 668.755 1.215 0 50 KDAA O=C1CCCN(S(=O)(=O)c2cccc3c2OCCO3)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc(ccn2)NCCN1 1857739965 BBQLGSMMDFLQNU-VWLOTQADSA-N 636.731 1.323 0 50 KDAA Cc1nc(N2CCN(C)CC2)ncc1C(=O)N1CCCNC(=O)CC[C@H](c2ccccc2)CCNC(=O)C1 1875240764 IEYUHOTWSAVAMA-QHCPKHFHSA-N 521.666 1.569 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1cccnc1)CCNC2=O 2100533226 GTJZIPKALQQGNO-QHCPKHFHSA-N 581.718 1.175 0 50 KDAA 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)cc1OC 1704328400 NVNQRXGLOUACFR-RKTPSUCASA-N 749.891 1.939 0 50 KDAA CC[C@H]1CN(S(=O)(=O)CC2CCCC2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704335294 CNPYBNJDKFDVGN-NDEVUPSOSA-N 605.802 1.480 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(CCn3c(=O)oc4ccccc43)CC2)Oc2ccc(cc2)OCCNC1=O 1772713182 CCNKHUMADWNJPP-JCGRVDTESA-N 712.804 1.754 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)C1CC1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714139 BPFMESIUQSVYGC-BVAGGSTKSA-N 587.747 1.222 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)[C@@H]2CCC(=O)N2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772818186 ORAQPFNTJIACFG-JXQFQVJHSA-N 607.693 1.509 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1cnc3c(c1)CCCC3)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740268 LFDNTYAUMVYHGW-QABMSTFYSA-N 714.820 1.981 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(c3ncc(F)c(N4CCOCC4)n3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356161858 MSDSSHQXNFXEIY-AHWVRZQESA-N 608.627 1.544 0 50 KDAA CSCC[C@@H]1NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC1=O 952856420 DVJISPVKBFUHAO-VOQZNFBZSA-N 608.165 1.918 0 50 KDAA CCCC[C@@H]1NC(=O)Cc2ccc(cc2)OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952865960 YRMLTPPTIIQGBL-DQEYMECFSA-N 518.618 1.932 0 50 KDAA Cc1cc(=O)c2oc(-c3ccccc3)c(CC(=O)NCCC(=O)NCc3cc(=O)n(C)c(=O)n3C)c2o1 1772491317 FIMKNYBPQGMOFW-UHFFFAOYSA-N 506.515 1.124 0 50 KDAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CN1C(=O)CNC1=O)CCCC(=O)N[C@H]2Cc1ccccc1 1772817823 SODIHFGGVMTJCU-LVXARBLLSA-N 678.772 1.871 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCOC)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775976482 AIKAEWWHWYOZTF-DFBJGRDBSA-N 558.680 1.558 0 50 KDAA COCCN1CC(=O)NCCN(C(=O)c2ccncc2)CCC(=O)N(CCC(C)C)[C@H]2CCc3c(c(nn3C)C1=O)C2 1857740345 FTRAFRJJDLSJBW-QHCPKHFHSA-N 581.718 1.298 0 50 KDAA CC(C)c1csc(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)n1 952857100 ZJRKHRIHDROMSN-LAUBAEHRSA-N 524.651 1.333 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(S(=O)(=O)N2CCCCCC2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952863369 IIBVTZJJAIXSLH-UZNNEEJFSA-N 722.913 1.863 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)N2CCC(F)(F)CC2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952865745 RNVQTAZVHYYROQ-IVDSKFSHSA-N 591.656 1.001 0 50 KDAA COc1cc(OC)cc(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)c1 1704321358 KKPPHXUTFZMOMX-OEPDXNDMSA-N 749.891 1.939 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ncc(F)cc3F)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321891 HNUHTJNMNODIDQ-UAZYKBCHSA-N 644.720 1.728 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)Cc2cccc(F)c2F)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704323667 XTGSUUCPAVCZHY-COVQPCOOSA-N 599.679 1.571 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)C2=Cc3ccccc3OC=C2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704327471 DTNYIMQZTFEMMB-RPMHUFCRSA-N 672.783 1.202 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)C1CCOCC1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772702400 GJZLWXISDSYAOA-NAKRPHOHSA-N 595.745 1.683 0 50 KDAA Cc1oc2nc1C(=O)N[C@@H](C(C)C)c1nc(cs1)C(=O)NCCN(C(=O)CN1CC(=O)NC1=O)CCCC(=O)N[C@H]2Cc1ccccc1 1772818379 RJYYSMPWWJYNBM-LVXARBLLSA-N 678.772 1.871 0 50 KDAA Cc1cc(C)c2c(CC(=O)N[C@@H]3C[C@H]4C(=O)N[C@H](C(=O)O)CCC(=O)NCCCC[C@H](NC(=O)c5ccc6c(c5)OCCO6)C(=O)N4C3)coc2c1 1857699409 OXLDXHQBVKEYQB-WKAQUBQDSA-N 717.776 1.897 0 50 KDAA COc1ccc([C@H](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c2c(O)nc3ccccn3c2=O)cc1 2049513511 SGUCJSVTTJEJIC-FQEVSTJZSA-N 508.556 1.895 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)CCCn1cncn1 2100532887 IQNNADNHDMYTPI-FCHUYYIVSA-N 526.638 1.637 0 50 KDAA CCC[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC1=O 952857125 KNLAHTWYPWCRJU-TYCQWZJGSA-N 562.071 1.574 0 50 KDAA O=C1CCCn2cc(nn2)CNC(=O)[C@H]2CN(C(=O)c3scc4c3CCCC4)CCN2C(=O)[C@H](Cc2ccccc2)N1 952862497 AOUXQJIIRFMSNH-LOSJGSFVSA-N 589.722 1.709 0 50 KDAA CC[C@H]1CN(S(=O)(=O)c2ccc(C)c(C)c2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704324098 XJBFGKAWVDKDJY-DEKSYSNASA-N 627.808 1.966 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)/C=C/c2ccccc2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704340441 INQOILRKHGLEDG-DVNLQKHZSA-N 741.890 1.691 0 50 KDAA O=C1NCCN(C(=O)c2c[nH]c(=O)cn2)CCCOc2cccc(c2)[C@H]2CN(C(=O)c3cc(C4CC4)no3)C[C@H]12 1875240932 JOQNGOVZAPGQFN-RTWAWAEBSA-N 546.584 1.532 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1CC[C@H](C)C(=O)O[C@@H]([C@H](OC(=O)c1ccoc1)[C@@H]2OC(C)=O)[C@]4(C)O 257520561 QFIYSPKZWOALMZ-JXHJAKMNSA-N 857.815 1.750 0 50 KDAA biogenic CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cn[nH]c2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704321965 FQHYTQWJVLWYGJ-NJTBCWBZSA-N 732.868 1.470 0 50 KDAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(C(=O)c2cnn3cccnc23)CC(=O)N[C@H]1C 2356161241 MDVKYLBSWSFAFL-XKDCRVNJSA-N 552.588 1.073 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)C1CCNCC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864197 MONYOTGXUJTLFI-MHZLTWQESA-N 603.724 1.597 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)CCc1c(C)nn(C)c1C)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952866052 YEUSNYDMSSXEAP-VLXQVWLNSA-N 741.931 1.631 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1615708578 UPEJBRLMVWXHBA-GJZUVCINSA-N 571.682 1.982 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(Cc2cc3c(cc2Cl)OCO3)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704338143 NCZJLYAFSKJPRL-NXYMPABXSA-N 700.233 1.624 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1ccc3c(c1)oc(=O)n3C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772702945 MEPWBTPNPTXKTG-RNAHPLFWSA-N 694.815 1.563 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCN3CCCC[C@H]23)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713952 YMGCJXQCZWYDTA-WAOXQYERSA-N 672.827 1.368 0 50 KDAA COCCCNC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cnc(C)nc2)CCNC(=O)COc2cc(ccc2OC)C1 1857690830 NMQFVYKMGVXGQP-XIFFEERXSA-N 638.766 1.823 0 50 KDAA Cc1cnc(O)n1-c1ccc(C(=O)NCCCCNc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)cc1 2325899283 YNKZVESZXSVBGP-OAQYLSRUSA-N 544.568 1.910 0 50 KDAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(Cc3nc(C(N)=O)no3)CC[C@H]1OCc1cccc(c1)O2 952866543 BTKLYMNGTGCWGX-XZOQPEGZSA-N 564.599 1.721 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cccc(CN(C)C)c2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704323520 XTIWUTOXGKROLC-LFVJDQPRSA-N 728.891 1.720 0 50 KDAA Cc1cc2nc(C(=O)N3CCCNC(=O)[C@H](Cc4ccccc4)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]3C)cc(C)n2n1 1704324070 WGYGJYREARIDQO-FUCNBRFFSA-N 618.739 1.023 0 50 KDAA CCc1nc2ccccc2n1CCC(=O)N[C@H]1CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1704338021 KJZNUARYSAPXOH-YLRMVVLJSA-N 758.921 1.109 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(S(=O)(=O)c1cc(F)ccc1C)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772702574 UENPNGYJFUSUJO-HJASLDBZSA-N 712.849 1.680 0 50 KDAA CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@H](c3ccoc3)C[C@H]3O[C@@]312 8214370 NAHTXVIXCMUDLF-RFNFAWMESA-N 574.623 1.466 0 50 KDAA biogenic,in-vitro CN(C)c1ccnc(N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)n1 952864751 PYYCMRPJTDWZNE-QFIPXVFZSA-N 517.638 1.211 0 50 KDAA COc1ccc(C(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)c(O)c1 952864779 ZUICRXFQOGYPTH-DEOSSOPVSA-N 546.628 1.705 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1ccncc1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713844 UGLLHMKSEUPOGJ-FATZWSQISA-N 645.765 1.079 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NS(=O)(=O)c2ccc(NS(=O)(=O)N(C)C)cc2)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1800430300 IAUPKQAAOSUBHV-FJSLXNNSSA-N 826.011 1.599 0 50 KDAA C[C@@H]1C(=O)Nc2cc(C(=O)N3CCOC[C@H]3c3cn(CC(=O)NCc4ccccc4)nn3)ccc2N1C 2325851193 RKDUMMLTQMVIPW-HXOBKFHXSA-N 503.563 1.585 0 50 KDAA CSCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CCNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(N)=O 253633760 NEYNJQRKHLUJRU-CRNKYVSFSA-N 767.906 1.520 0 50 KDAA O=C(O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@@H]1OC(=O)c1cccnc1)c1cccnc1 504249174 JTHMZZBJEBXXJU-WSBSSDNKSA-N 600.540 1.204 0 50 KDAA biogenic CCC[C@@H]1NC(=O)c2ccc(c(OC)c2)OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952856261 CMWPVJZRVGPBOQ-VXKWHMMOSA-N 520.590 1.622 0 50 KDAA CSCC[C@H]1NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952857854 WGTOYFIRGVVSHK-QJALSUSISA-N 672.208 1.475 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)c2cccnc2)CCCNC1=O 1704336335 LTLIORRQWPYUTK-LJGDZFJRSA-N 564.687 1.197 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)[C@H](O)c2ccccc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772817107 HGAVQVSAZKTBSN-MLUWVZQDSA-N 660.776 1.240 0 50 KDAA CC(=O)OC[C@H]1O[C@H](Oc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857524760 NOKCKQRHADLYOG-MVBXGDCQSA-N 565.572 1.398 0 50 KDAA COc1ccc(O[C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2N2C(=O)c3ccccc3C2=O)cc1 72099443 YKSPBIYKEHIGHE-XMPCBSOPSA-N 541.509 1.890 0 50 KDAA in-vitro 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@]1(C)O 85537026 MQTOSJVFKKJCRP-BICOPXKESA-N 748.996 1.901 0 50 KDAA biogenic,fda COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)CCCN(C)C)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952855906 PSANXXRDHIQDDI-UYEZAFAQSA-N 706.885 1.565 0 50 KDAA COc1cc(C)c2c(=O)cc(C[C@@H](C)OC(=O)/C=C/c3ccc(O)cc3)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 956377069 WLTKWUFYRRRGGT-LNHNZQIHSA-N 556.564 1.518 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(C(=O)CCSc2ccc3c(c2)OCCO3)C[C@H]2OCC[C@H](NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)N(C)C1=O)[C@@H]2O 1704317136 GAQYXZHFYSYFIJ-UOHDJCKYSA-N 753.919 1.522 0 50 KDAA Cc1nnnn1Cc1ccc(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)cc1 1772714012 WPVKDQOCELBZCL-CTVOUCONSA-N 726.843 1.163 0 50 KDAA COc1ccc([C@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)n3ccccc3nc2=O)cc1 1776111246 IKQCIMWSTGINOF-IBGZPJMESA-N 500.577 1.471 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3sccc3S(=O)(=O)N3CCCC3)C[C@@H]1CC(=O)NCCN(C)C2=O 952858530 AQPHXMYCRCEEGZ-SIKLNZKXSA-N 657.775 1.617 0 50 KDAA Cc1cc(Cl)ccc1OCC(=O)N1C[C@@H]2CC(=O)N(C)CCNC(=O)c3cccn(c3=O)Cc3cn(nn3)[C@@H]2C1 952858942 IZKOFDDCJQICKQ-PGRDOPGGSA-N 568.034 1.120 0 50 KDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCCCNC(=O)[C@H](Cc2cnc[nH]2)NC(=O)c2cccc(c2)OCCNC(=O)C1 1875240988 MXUFJASJIRDJST-DEOSSOPVSA-N 645.746 1.774 0 50 KDAA CCOC(=O)[C@H]1CCCN([C@@H]2CC(=O)N(c3ccc(N4C(=O)C[C@@H](N5CCC[C@@H](C(=O)OCC)C5)C4=O)cc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c1ocnc1C(=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 1704316714 BQOJCCPTZNNVES-QZNNGKJRSA-N 714.820 1.747 0 50 KDAA Cc1ccc2cc1OCCCn1cc(nn1)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]([C@@H](C)O)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1704317394 IVQHOLRBXLZLFB-IKTSXZLFSA-N 738.846 1.126 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cccc3c2OCCO3)CCN(C)C(=O)[C@@H](C)NC1=O 1704322597 JTHRAPLKMJWLPV-CSYFSRKCSA-N 747.875 1.693 0 50 KDAA O=C1COc2cc(OCC3CC3)cc(c2)C(=O)N[C@H]2CN(C(=O)C3CCNCC3)C[C@@H]2Oc2ccc(cc2)CN1 1772701944 PSSLCNBYYMQTQS-SVBPBHIXSA-N 548.640 1.872 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)CCOC)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772713213 HKFNZEHHONBEGZ-ZQLNOWDWSA-N 643.786 1.759 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2nsnc2C)CCCNC(=O)c2ccc3nc(O)n(c3c2)CCCNC1=O 1775983224 ZQIVZTGQWZODBN-SBUREZEXSA-N 598.730 1.995 0 50 KDAA COCCn1nnc2c1CCN(C(=O)c1ccc(=NCc3ccc(N4CCCC[C@H]4CCO)nc3)[nH]c1)C2 1875325872 WEJBZTMPMWZGPW-QFIPXVFZSA-N 520.638 1.688 0 50 KDAA COc1cc2ccc1CNC(=O)[C@H](C)NC(=O)[C@H](CCc1ccccc1)NC(=O)CN(S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)CCCCNC(=O)c1ccc(OC)c(c1)O2 1857698453 SEDUKKNWLKZKCN-HVNZXBJASA-N 847.948 1.347 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cnc3ccccn3c1=O)CCCCNC2=O 1857702610 PBLOFMFXIXBXKQ-ADRJNJHWSA-N 785.855 1.793 0 50 KDAA COc1ccc(O[C@H]2O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2N2C(=O)c3ccccc3C2=O)cc1 1857790622 YKSPBIYKEHIGHE-MEJRXMRQSA-N 541.509 1.890 0 50 KDAA CCCCN1[C@H]2O[C@@H](C3O[C@@H]4[C@@H](O3)N(CCCC)S(=O)(=O)N4CCCC)O[C@H]2N(CCCC)S1(=O)=O 245236325 RHDVHUPVZSQBQH-YHZBMZHBSA-N 554.732 1.962 0 50 KDAA NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)OCc1ccccc1 606303094 HGHDEVQJEXSZRL-UHFFFAOYSA-N 855.029 1.121 0 50 KDAA Cn1cc(C(=O)N2C[C@@H]3NC(=O)c4cc(cc(OCC5CC5)c4)OCC(=O)NCc4ccc(cc4)O[C@H]3C2)ccc1=O 1772714027 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1.501 0 50 KDAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 199478771 GPAHMWALUHQIRB-GNKBHMEESA-N 650.836 1.453 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CNC[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323503 UJHYSTAAVLQTML-GQPIUQTDSA-N 689.858 1.711 0 50 KDAA Cc1nc(-c2ccccc2)[nH]c1C(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC1=O 1704324416 PFNUJQRTUMKCRM-CHRXXPTBSA-N 686.814 1.225 0 50 KDAA CCn1c(C)cc(C)c(C(=O)N2CCNC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)c3cc(on3)C2)c1=O 1772714575 XTZNLHCIVJVZNF-XSBVVTFOSA-N 675.787 1.622 0 50 KDAA Cc1ccc2cc1OCCNC(=O)C[C@@H]1CC[C@H](CNC2=O)N1C(=O)CN(c1cccc(F)c1)S(C)(=O)=O 1857707765 JAOAVINUVCWVFB-FCHUYYIVSA-N 546.621 1.588 0 50 KDAA CCC[S@@](=O)c1nc(N[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c2nnn([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)c2n1 214484974 DXFXDCXSENDSIK-YRRICNIOSA-N 538.577 1.029 0 50 KDAA in-vitro COc1ccc(CCc2nnc(S[C@@H]3O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3NC(C)=O)n2C)cc1OC 253494565 XYKXKKAJJSYDFW-ZGLCYIBRSA-N 608.670 1.366 0 50 KDAA C[C@@H]1CC[C@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4CC=C5C[C@@H](O[C@H]6O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@]1(O)[C@H]2C 253596828 WHWWQGPCTUQCMN-SEYCVLFGSA-N 738.912 1.505 0 50 KDAA CS(=O)(=O)c1ccc(CC(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)cc1 952857511 JHGOGKUUVGJJKS-UPVQGACJSA-N 574.059 1.886 0 50 KDAA Cc1cc(C)c(CN2C[C@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@H]3C2)c(-n2cccn2)c1 1615697113 YAIFVOWXGFTDCK-AMGIVPHBSA-N 569.670 1.556 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@H]1CCN(C(=O)CCn3cnnn3)C[C@H]1NC(=O)CN(C)C2=O 1616072550 YZIMRJBAEDAZAR-PKTZIBPZSA-N 533.589 1.552 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)COC(C)C)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704321389 MAPDKKKGGWEHLQ-CBRSEMLDSA-N 603.761 1.166 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)Cc2cn3ccsc3n2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772714285 JJZJJSLEMGPFSN-NJTBCWBZSA-N 671.780 1.055 0 50 KDAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)NCC(=O)O)c(=O)cc1[C@@H](NC(C)=O)CC2 253414384 XHNXQTPPNRZLPS-UGSOOPFHSA-N 513.547 1.864 0 50 KDAA biogenic CCN1C(=CC=c2c(=O)c(=O)c(=CC=C3N(CC)c4ccccc4N3CC)c(=O)c2=O)N(CC)c2ccccc21 685944796 YTJDOKZVCIJGHY-UHFFFAOYSA-N 536.632 1.980 0 50 KDAA COCCC(=O)N1CCCCN(C)C(=O)[C@H](C)NC(=O)COc2cc(ccc2OC)CCC(=O)NCCC1 952864637 JNOOYJQHIQUVRU-FQEVSTJZSA-N 534.654 1.135 0 50 KDAA CCc1ocnc1C(=O)N1CCOc2cc(ccc2OC)-c2nccn2CCNC(=O)[C@@H](C(C)C)NC(=O)C1 1704322185 KCLISNSWXFFGBD-HSZRJFAPSA-N 538.605 1.901 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1ccc(=O)n(C)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704322414 HQDVQKYDYQPXGY-HJRZCVLXSA-N 716.836 1.398 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)C2CCN(C(=O)c3ccccn3)CC2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704323020 SFWJSKBACVWMAS-DGCFYSBZSA-N 783.927 1.292 0 50 KDAA CC[C@H]1CN(S(=O)(=O)c2c(C)nn(C(C)C)c2C)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704336863 JPYIHJZVKFMZLK-IKPAXAHWSA-N 659.854 1.743 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)CCc1cnccn1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772705664 VFDDKLQZFWAEJO-VIZCGCQYSA-N 617.755 1.679 0 50 KDAA 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)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 49841125 WKKBYJLXSKPKSC-JVJIQXRHSA-N 666.849 1.406 0 50 KDAA biogenic,in-vitro COc1ccc(C(=O)N2CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCC2)c(OC)c1OC 1704324821 VGDHLOSSSIQFAI-OXQOHEQNSA-N 506.600 1.100 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(S(=O)(=O)c1ccc(NS(=O)(=O)N(C)C)cc1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713861 UQJQGLCVGFQWOJ-MVSFAKPFSA-N 745.929 1.337 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(C(=O)c2cc(N3CCOCC3)no2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772714401 OSTAWZVOLQVMNA-LOTJKCTMSA-N 737.859 1.861 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)Cc2cccnc2)CCNC(=O)COc2cccc(c2)C1 1775981000 FVNQUWCOUYXFMT-GDLZYMKVSA-N 554.644 1.296 0 50 KDAA COCN1c2ccccc2S[C@@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)OC(C)=O 252631365 VKCGIKJXWXVQAJ-JTYPQFNSSA-N 541.575 1.819 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H]2C[C@@H](CN2C(=O)CCc2ccc3c(c2)OCO3)n2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952864693 YWMFALQVCXXTJV-JLMYGFKKSA-N 615.691 1.280 0 50 KDAA Cc1cc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)cc(O)n1 952865556 RFLBXTMNTFMSLR-HSZRJFAPSA-N 567.622 1.864 0 50 KDAA COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@@H](OC)[C@H](O)[C@@](OC(C)=O)([C@H]5[C@H]6OC(=O)c5ccccc5)[C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2 245204633 FIDOCHXHMJHKRW-CFBPUHCJSA-N 615.720 1.287 0 50 KDAA CC(C)(C)OC(=O)CC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1)C(=O)O 253387829 XPPVPEBAMOGLNL-ACRUOGEOSA-N 636.699 1.455 0 50 KDAA biogenic 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](NC)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 257358380 TXOOBKBDBNRQCF-JTJFEPQASA-N 719.910 1.443 0 50 KDAA COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1ccccn1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952856212 AYQNXPCNOFVJHV-RQELPRGNSA-N 678.791 1.713 0 50 KDAA C[C@H]1O[C@@H](O[C@@H]2CC[C@]3(CO)[C@@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@H]4CC[C@@]3(O)C2)C[C@H](O)[C@@H]1O 1848443785 KISYRRMFQYIIFQ-DTPATCMLSA-N 536.662 1.573 0 50 KDAA O=C1C[C@@H]2CC[C@H](CNC(=O)c3cc(F)ccc3OCCN1)N2C(=O)c1coc(CN2CCOCC2)c1 1857711293 RPTALFXSYDGPAY-VQTJNVASSA-N 514.554 1.553 0 50 KDAA CCc1nc(-c2ncccn2)sc1C(=O)N1CCCC(=O)NCCOc2ccc(F)cc2C(=O)N[C@@H](CCC(N)=O)C(=O)NCC1 1857711544 FXOASVZYOKWJPZ-NRFANRHFSA-N 654.725 1.213 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1cccc(-n3cnnc3)c1)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857726590 YPJRDODWWYZFRV-PWUYWRBVSA-N 726.791 1.288 0 50 KDAA COc1ccc2cc(CN3C[C@@H]4CC(=O)NCCN(C)C(=O)c5cccn(c5=O)Cc5cn(nn5)[C@@H]4C3)ccc2c1 952864721 OQFFRHMYECRURZ-WNCULLNHSA-N 555.639 1.915 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC1CCN(C)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704319238 TYUGVKRZQBYLBA-DTKZEWQESA-N 678.875 1.954 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccc3c(c2)OCO3)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704325158 XPTKZDFLFLRBTC-CGHRXAFASA-N 593.681 1.093 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CCNS(C)(=O)=O)CCCCNC2=O 1857699083 HEAAFCJCZISYTO-GDLZYMKVSA-N 661.778 1.545 0 50 KDAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)Cn2ncnn2)CCNC(=O)COc2ccc(cc2OC)C1 1857705064 QZGOEPSNUIBVNG-GDLZYMKVSA-N 601.705 1.144 0 50 KDAA 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]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@@H]1O 253387847 AYWNHWGQTMCQIV-PENCHUSISA-N 827.018 1.295 0 50 KDAA biogenic,in-vitro CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O 255961745 ADBHAJDGVKLXHK-KOMORSBTSA-N 864.010 1.077 0 50 KDAA C[C@@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]3CC[C@@]4(C)[C@@H](CC[C@]5(C)[C@@H]4CC=C4[C@@H]6CC(C)(C)CC[C@@]6(C(=O)O)CC[C@]45C)[C@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 255962597 AMXYFWUYMQOLRN-JMYDHEICSA-N 913.108 1.345 0 50 KDAA CSCC[C@H]1NC(=O)Cc2ccc(cc2)OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC1=O 952859332 RDEHIJJQNJGALL-DNQXCXABSA-N 536.658 1.495 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(Cc2cccnc2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704316478 RDIXXCNNMUKMAT-DSBYRVASSA-N 536.677 1.119 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CC(C)(C)c2ccccc2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704321447 PCNYMDWSLCGXLU-NBFBOCTJSA-N 662.832 1.581 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)c2ccncc2F)C[C@H](Cc2ccccc2)NC1=O 1704322045 FTTBUBVPLNQLAU-OBKKCPSISA-N 580.661 1.041 0 50 KDAA CC(C)CCN1C(=O)CN(S(=O)(=O)Cc2ccccc2)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857741408 QWGSJJZOENCUCB-HSZRJFAPSA-N 586.759 1.576 0 50 KDAA COc1ccc2cc1OCCN(C(=O)Cn1nc(C)c3ccccc3c1=O)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704322041 DLBAKISVTADJTH-GDLZYMKVSA-N 615.691 1.755 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)CCc2nc3ccccc3[nH]2)Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C1=O 1772713653 NZVBQEOTLUXIQK-KZNIJNHCSA-N 659.788 1.758 0 50 KDAA O=C1CC[C@@H](N2C(=O)c3cccc(NC(=O)CN4CCC(C(=O)c5ccc(O)cc5)CC4)c3C2=O)C(=O)N1 2325899889 COHMGITZXYMULV-HXUWFJFHSA-N 518.526 1.327 0 50 KDAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(S(C)(=O)=O)CC1=O 2356137945 BIPHJJJGCHXURF-VWLOTQADSA-N 506.669 1.381 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)CCn3ccccc3=O)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356160234 JKNYCWOHBYXFPW-AHWVRZQESA-N 576.606 1.353 0 50 KDAA CCCc1nc(C(=O)N2CCCNC(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]2C)cs1 1704317261 GRQMOCRWHIDSKT-QTISVLPJSA-N 598.770 1.773 0 50 KDAA COc1cc2c(cc1OC)[C@H]1c3ccc(cc3)OCCOCCN(C(=O)Cn3cc(C)c(O)nc3=O)CC(=O)N1CC2 1704319384 VUZDMGMROOZUAT-MUUNZHRXSA-N 578.622 1.686 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)Cn3cccnc3=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704327898 UWUUBQVDEDDUID-OVEKGFIISA-N 825.968 1.207 0 50 KDAA CC[C@H]1CN(C(=O)c2ccncc2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704328327 MAVWLVOKQBLUOI-OCFYOKIWSA-N 564.687 1.195 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccnc(OC)c3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704328391 NLXQYFVCKKQDRX-NVSKSXHLSA-N 638.766 1.459 0 50 KDAA NS(=O)(=O)c1ccc(F)c(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CC2)c2ccccc24)c1 1875242282 QSGSJPGDUHYFRV-SJQPRBQBSA-N 555.632 1.162 0 50 KDAA Cn1cc(-c2cccc3oc(C(=O)N[C@@H]4CCCN(CC(=O)Nc5ccc(S(N)(=O)=O)cc5)C4)cc23)nn1 2325899539 JHWSEZIAIKVOMK-QGZVFWFLSA-N 537.602 1.709 0 50 KDAA CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 101802366 TTZHDVOVKQGIBA-KHFYHRBSSA-N 529.458 1.657 0 50 KDAA in-vitro CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 145402290 TTZHDVOVKQGIBA-DROFVZPZSA-N 529.458 1.657 0 50 KDAA CC(C)C[C@H](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)NCC(N)=O 150484926 IRZIRGSTEJPVHR-WTIAFYNJSA-N 678.784 1.190 0 50 KDAA C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[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]43)[C@]2(C)O)C1 253487070 DHQFYEJMFMYGCV-VWTRGONBSA-N 591.786 1.711 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)Cn2c(=O)oc3ccccc32)CCNC1=O 952868441 OQXQGWYQRPMFSC-VFXDQDQSSA-N 739.230 1.520 0 50 KDAA O=C(CCN1C(=O)C=CC1=O)NCCCOCCOCCOCCCNC(=O)O[C@@H]1CCC=CCCC1 98050699 BJZRPWAVCDJCTC-JOCHJYFZSA-N 523.627 1.863 0 50 KDAA O=C(Cc1nc(O)n[nH]1)N1CC[C@]23C(=O)N(Cc4cn(nn4)CCCOc4cccc(c4)[C@H]12)c1ccccc13 952855926 SFWXPSIRRGPPSW-RPLLCQBOSA-N 526.557 1.885 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O 952865146 PLAFLNSDHLRUQK-IGKWTDBASA-N 683.128 1.584 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2cc3cc(OC)ccc3[nH]2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704317928 KTFQBCXLNZVERP-LPVZOYSWSA-N 731.851 1.054 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)C2Cc3ccccc3C2)CCCNC1=O 1704323708 TWHJROVGRWAPSI-ACHDSSIZSA-N 603.764 1.903 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2cncc(Cl)c2)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704343554 KDMQSYYFVCGORR-AZHKHTCCSA-N 751.285 1.340 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(Cc1cc[nH]n1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713398 JPKPJOQMDJPFRV-SQHAQQRYSA-N 563.707 1.653 0 50 KDAA Cc1ccc2c(c1)C(=O)NCCN(S(=O)(=O)c1ccc3c(c1)OCCO3)CCCC(=O)NCCO2 1857709775 QSDBNUHUBOEIJF-UHFFFAOYSA-N 503.577 1.476 0 50 KDAA C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@@]4(C)[C@H](CC[C@]5(C)[C@H]4CC=C4[C@@H]6CC(C)(C)C[C@@H](O)[C@]6(C)CC[C@]45C)[C@@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 253389337 IBZLICPLPYSFNZ-DFDUJJMYSA-N 913.108 1.344 0 50 KDAA biogenic,in-vitro CCOc1ncccc1C(=O)N1C[C@@H]2NC(=O)c3ccc(OC)c(c3)OCCn3cc(nn3)CO[C@H]2C1 952865285 QNYNYLADYQYCHV-UGKGYDQZSA-N 508.535 1.313 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](Nc2ccc(C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1857666270 ZQXSFOAPFLRFGY-DKFFCOBFSA-N 725.697 1.027 0 50 KDAA NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCC[C@@H](CNC(=O)Nc4ccc(F)cc4)C3)CC2=O)c1 2325879311 QGNRWXFAOIFRAV-IRXDYDNUSA-N 517.583 1.886 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(Cc2ccncc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772714413 PIEMTKOFDSWGML-PPJWLVRDSA-N 617.755 1.575 0 50 KDAA COc1cc2nc3c(cc2c(OC)c1OC)CN(C(=O)CCn1cnnn1)CCN(C(=O)c1cc(C)on1)CCC(=O)NC[C@H]1CCCN3C1 1875242125 OILOQRVDPCNIMS-JOCHJYFZSA-N 690.762 1.841 0 50 KDAA CC(C)CCN1CC(=O)N[C@]2(CCCc3ccccc32)C(=O)NCCCCN(C(=O)C2CCS(=O)(=O)CC2)CC1=O 2356138627 NUCYDHROCVRDMC-PMERELPUSA-N 588.771 1.773 0 50 KDAA CCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2OCCCn2cc(nn2)CNC(=O)[C@H]([C@@H](C)O)NC1=O 952857614 RPHWQUKXQRHECB-HGAHBTBJSA-N 606.124 1.325 0 50 KDAA Cc1ccc(CN2C[C@@H]3CC(=O)NCCN(C)C(=O)c4cccn(c4=O)Cc4cn(nn4)[C@@H]3C2)cc1C 952862603 CDRFFPMZWGJYFD-XUZZJYLKSA-N 503.607 1.370 0 50 KDAA CC(=O)O[C@H]1CCC(C)(C)[C@]2(O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](C=C4OC(=O)C=C4[C@@]3(C)O)[C@@]12C 1772820287 XKLBSFHFNUCCKY-ODSJLZNHSA-N 506.548 1.717 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)[C@@H]1CCCN1C)CC(=O)N[C@H](C(C)C)C(=O)NCCCn1ccnc1-2 2100532878 HVDDITYTWXLKSW-BKMJKUGQSA-N 554.692 1.911 0 50 KDAA CC[C@H]1NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC(=O)[C@H](c2ccccc2)NC(=O)[C@@H]2CC(=O)CCN2C(=O)[C@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C1=O 94313271 FEPMHVLSLDOMQC-IYPFLVAKSA-N 823.904 1.204 0 50 KDAA in-man CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(C)C 150340541 GWKJISJKNKIJNP-DEQDFGQZSA-N 719.670 1.808 0 50 KDAA in-vitro CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3ccncc3)CCCC1=O)C2 1857723880 AMLXHYKEFYQBSX-NRFANRHFSA-N 537.665 1.281 0 50 KDAA 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CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3CCc2ccccc2)cc1 100229801 BXDRWSPIFYOJCJ-QFIPXVFZSA-N 551.503 1.426 0 50 KDAA CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)O)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@H](c4ccc(OC)cc4)O[C@H]23)N(C)C1 257356369 HQUXWIVLQUDOFM-ZRAOVPEQSA-N 524.680 1.913 0 50 KDAA Cc1ccc2cc1Oc1cccc(c1)CO[C@@H]1CCN(C(=O)Cn3cnnn3)C[C@@H]1NC(=O)CN(C)C2=O 952856500 JZVXCDHNTYUPMH-FCHUYYIVSA-N 519.562 1.162 0 50 KDAA CSCC[C@H]1NC(=O)c2ccc(C)c(c2)OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952858712 GLAPITPIQPJSNY-PKTZIBPZSA-N 536.658 1.874 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)c2ccncc2F)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1800430704 WNHUJMYOPZKZBX-HSRBSRBISA-N 729.810 1.895 0 50 KDAA C/C=C1\NC(=O)[C@H]2CSSCCC=C[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)[C@@H](C(C)C)NC1=O 254134444 OHRURASPPZQGQM-ZTPABBDJSA-N 540.708 1.430 0 50 KDAA CCN1CC(=O)N[C@H]2CN(S(C)(=O)=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952857350 LZAJBULLFDUHPR-GOTSBHOMSA-N 501.605 1.919 0 50 KDAA COCCN1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CN(C(=O)c3cncnc3)C[C@H]2c2cccc(c2)OCC(=O)N[C@H](CC(C)C)C1=O 952863533 AQSASJYFXSMVOB-GASGPIRDSA-N 699.809 1.327 0 50 KDAA CCOc1ccc(C(=O)CCC(=O)N[C@H]2CCCNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1C 1704319611 YGKZBCXBRUBKSV-GLJCIFSQSA-N 776.932 1.476 0 50 KDAA COc1cc(C(=O)N[C@H]2CCCNC(=O)CN(C)C(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC2=O)c2ccccc2n1 1704323232 CYNDSBRAFZXFIO-QFPWUABASA-N 687.798 1.083 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)CN(C(=O)c2csc(-c3ccc(C(F)(F)F)cc3)n2)CCNC1=O 1772714146 BZOYFEWCMWMEAJ-IAAUVJCUSA-N 693.705 1.714 0 50 KDAA CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[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]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C 1772820054 YURJSTAIMNSZAE-ASWVYQNESA-N 801.024 1.120 0 50 KDAA 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CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccccc2-n2cccn2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952866025 WYRCUPMSBFAITL-XXXBWCRASA-N 643.745 1.245 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)CCc2nc(-c3ccco3)no2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704322350 MTEBSBZCRSCSLG-CNISOWAESA-N 635.722 1.326 0 50 KDAA COCCC(=O)N1CCOc2cc(ccc2OC)-c2nccn2CCNC(=O)[C@@H](C(C)C)NC(=O)C1 1704322882 RGCRMJFATXMQEY-HSZRJFAPSA-N 501.584 1.073 0 50 KDAA O=C1CN(C(=O)CCCn2cncn2)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857740399 HTTQEGAEVRXVSU-SANMLTNESA-N 614.711 1.243 0 50 KDAA O=C(NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CO)C(=O)O)OCc1ccccc1 15721472 GWTZMIJUPBOPKG-SFTDATJTSA-N 501.536 1.940 0 50 KDAA in-vitro CC/C(C)=C1\OC(=O)[C@H](C)[C@H](O)[C@H](Cc2cccnc2)NC(=O)[C@@H](NC(=O)c2ncccc2O)[C@@H](C)OC1=O 59727542 WHIKSLGSXKIHCA-IGCCMALHSA-N 540.573 1.178 0 50 KDAA biogenic,in-vitro 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1772817854 UPOIBBNSHDRTRU-UHFFFAOYSA-N 749.799 1.934 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)c2coc(CN)n2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772818046 XHVXJHMHNDHHKW-UUOWRZLLSA-N 620.692 1.991 0 50 KDAA COCCN1CC(=O)NCCN(Cc2ccncc2)CCC(=O)N(CCC(C)C)[C@H]2CCc3c(c(nn3C)C1=O)C2 1857741659 VUFKWDWHSVJVJF-DEOSSOPVSA-N 567.735 1.658 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@@H](NC(=O)[C@H]1CCCNC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 2084369680 NNQSKNVHEHFQCS-KCIBBDPESA-N 692.858 1.386 0 50 KDAA COc1ccc(-c2ccc3c(c2)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCO3)cc1 2100533843 HWJUTZIATSWROB-ISIZJJESSA-N 552.628 1.092 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)c3[nH]nnc3C)C[C@@H]1OCc1cccc(c1)O2 952857619 RSZGBNLTVVPRRW-DQEYMECFSA-N 593.641 1.773 0 50 KDAA Cc1cc(C(=O)N2C[C@@H]3c4cccc(c4)OCC(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N(CC4CC4)CC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H]3C2)nc(C)n1 1704328137 XSEQBQIXEQSCGK-YBNQVUPSSA-N 747.857 1.627 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)[C@@H]2CCCO2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713742 RIIVDSNYLWFPNP-QUUJSONZSA-N 704.825 1.226 0 50 KDAA C[C@H]1[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 1772820015 MMTWXUQMLQGAPC-BVLDDQGZSA-N 740.928 1.442 0 50 KDAA COCCN1CC(=O)NCCN(C(=O)c2cscn2)CCC(=O)N(CCC(C)C)[C@H]2CCc3c(c(nn3C)C1=O)C2 1857741272 LEDODMKAVPOKLI-FQEVSTJZSA-N 587.747 1.360 0 50 KDAA COC(=O)CCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)Nc1ccc2c(C)cc(=O)oc2c1)C(C)C 4557170 CMEUDEVBFFPSEI-YVUFBCSGSA-N 627.695 1.134 0 50 KDAA CC(=O)O[C@@H]1[C@@H](O)CO[C@@H](O[C@H]2CC[C@]3(C)[C@H]([C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C[C@H]4[C@H]3CC[C@@]3(C)[C@H]([C@]5(C)CC[C@@H](C(C)(C)O)O5)[C@H](O)C[C@]43C)C2(C)C)[C@@H]1O 253610340 SGWGNFPPYZHYQH-NDXJQOSXSA-N 829.034 1.541 0 50 KDAA CC(C)C[C@H]1NC(=O)c2cccc(c2)OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC1=O 952862346 OGQINSVVRZTNBR-RPWUZVMVSA-N 504.591 1.859 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cc(C(C)C)nn3C)CN2C(=O)[C@H](C(C)C)NC1=O 952863573 BWEZAWSCWZKCCF-WRDWLANRSA-N 710.902 1.387 0 50 KDAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@@H]1CN(Cc3nc(C(N)=O)no3)CC[C@@H]1OCc1cccc(c1)O2 1615707652 BTKLYMNGTGCWGX-PKTZIBPZSA-N 564.599 1.721 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)Cc3ccncc3)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704323400 VFBVLIZTBRZBFM-DOUMQJFESA-N 636.794 1.867 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)CCn2cccn2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704328375 NETPWBOYWPZGBW-RVVSJWLRSA-N 760.922 1.719 0 50 KDAA Cc1cc(CC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)cc(C)n1 1772700292 BDDPZEPKPDNARH-IUEKTVKYSA-N 698.821 1.927 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3cnn(Cc4ccccc4)c3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713403 HBCMUPSMXGRANE-SWQQRCMDSA-N 765.868 1.592 0 50 KDAA COc1ccc2[nH]c(C(=O)N3CCC4(CC3)Oc3ccc(cc3)OCCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC4=O)cc2c1 1772714174 DHDQHAYZWRGSSA-UDWBKFEBSA-N 754.841 1.837 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)Cc3cn4ccsc4n3)CC2)Oc2ccc(cc2)OCCNC1=O 1772714192 FDXIUFAJTJXLLV-MOMDTQCHSA-N 715.833 1.624 0 50 KDAA COCCn1ccnc1CN1C[C@@H]2NC(=O)CCc3ccc(OC)c(c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772714379 OCPWMNPVTSTTDB-IGKIAQTJSA-N 563.655 1.928 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2ccc(=O)n(C)c2)CCNC(=O)COc2cc(ccc2OC)C1 1857688887 WLVJAOXUCKOYIG-YTTGMZPUSA-N 610.708 1.833 0 50 KDAA COCCC[C@]1(C(=O)N2CCC(C(N)=O)CC2)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857702583 DHEGQYKVIAZYQI-JGCGQSQUSA-N 604.708 1.654 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C3CCOCC3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356161357 RCSJMOXFFNBVHR-ZCYQVOJMSA-N 511.575 1.753 0 50 KDAA Cc1cc(=O)oc2cc(NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)OCc3ccccc3)ccc12 4536111 DLELKZFCVLJXKZ-DHIUTWEWSA-N 621.699 1.346 0 50 KDAA biogenic CC(C)=C(C(=O)O)N1C(=O)[C@H](NC(=O)COc2ccccc2)[C@H]1S(=O)(=O)CC(=O)c1ccccc1 44123707 XQKYYXJOBOVJJL-NZQKXSOJSA-N 500.529 1.395 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)CCO)CCCCNC(=O)[C@@H](C)NC1=O 1704313052 LEGXCCBRMIWFKM-KEKPKEOLSA-N 607.752 1.684 0 50 KDAA Cc1noc(C)c1CN1CCC2(CC1)Oc1ccc(cc1)OCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)O)NC2=O 1772713361 FCNQTOAZYBDDLK-SVIHCMKNSA-N 690.798 1.311 0 50 KDAA CN(CCN(C)C(=O)CC[C@@H]1Cc2ccccc2NC1=O)Cc1cn(Cc2nc(O)c3c(n2)CCOC3)nn1 2325826067 NMWJPMAVZPOGPN-LJQANCHMSA-N 534.621 1.376 0 50 KDAA COc1ccc2cc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)c1cc(C)no1)CCCNC(=O)CC2 952864866 RGTPONVEWCRQNO-FQEVSTJZSA-N 557.648 1.709 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)c2csc(-c3ncccn3)n2)CCCNC1=O 1704323812 YVILDXWGCMXHRS-VIICAESSSA-N 648.790 1.715 0 50 KDAA Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@@H](C(C)C)NC1=O 1704327890 UPCVJWCMPKUVOT-JAHHOJAQSA-N 701.825 1.419 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ncc(F)cc2F)CCNC(=O)COc2cccc(c2)C1 1857702911 IDUUJAFVGLDJSP-MUUNZHRXSA-N 576.597 1.646 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)CCN)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1857704972 MYGFHFKYIFJMSA-MBSDFSHPSA-N 567.672 1.579 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(Cc3ccc(-c4nn[nH]n4)cc3)CCCC1=O)C2 1875241171 PVCGWLZANSWWJZ-QHCPKHFHSA-N 590.733 1.426 0 50 KDAA Cn1ccnc1[C@@]1(CNC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)NC(=O)NC1=O 1875328610 BPKNOOBKFZXRLD-XMMPIXPASA-N 508.560 1.026 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccccc2-n2cnnc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713672 QELLCOJLKGLRID-CLCZQPDDSA-N 697.801 1.401 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)Cc2cccc(F)c2F)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc21 1857702192 DAAMOCWXPHWOKA-RZDWPUGNSA-N 675.693 1.356 0 50 KDAA CCOC(=O)[C@]1(CCCOC)CNC(=O)CN(C(=O)c2c(C)ncn2C)CCNC(=O)COc2cccc(c2)C1 1857703914 WEJOVLRQQPTLRH-NDEPHWFRSA-N 557.648 1.014 0 50 KDAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)c2cn(C)cn2)CCNC(=O)COc2cc(ccc2OC)C1 1857707386 QKGYQLGSLIYXHI-SSEXGKCCSA-N 583.686 1.868 0 50 KDAA COc1ccc(C(=O)O[C@@H]2CC[C@@]3(C)[C@H]4CC[C@@H]5[C@@]3(C[C@@]3(O)[C@@H]6CN7C[C@H](C)CC[C@H]7[C@@](C)(O)[C@@]6(O)[C@@H](O)C[C@@]53O)O[C@]24O)cc1OC 169716568 FVECELJHCSPHKY-RAJFRIOUSA-N 673.800 1.356 0 50 KDAA in-vitro CCCC[C@@H]1NC(=O)c2cc(Cl)ccc2OCCn2cc(nn2)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952856163 PGEXVKUCXDFNQH-ZHNHNGCZSA-N 640.141 1.522 0 50 KDAA CN(C)C(=O)NCC(=O)N1CC[C@]23C(=O)N(CC(=O)NCCCOc4cccc(c4)[C@H]12)c1ccccc13 952863801 GNIKMMWWRVIBJS-RPLLCQBOSA-N 505.575 1.415 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)[C@H]2CCC(=O)N2)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704321716 XBYOIQWSBAQIMT-CCZNGPTMSA-N 676.815 1.589 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H]2CCCN2C(=O)[C@H](C)NC(=O)CN(C(=O)CCc2ccc3c(c2)OCO3)C[C@H](Cc2ccccc2)NC1=O 1704322232 LCOSIUAAZPUKKY-JXXDWEOVSA-N 633.746 1.554 0 50 KDAA CCOCC(=O)N1C[C@@H]2c3cccc(c3)OCCCN(C(=O)c3ccc4c[nH]nc4n3)CCNC(=O)[C@H]2C1 1875240415 RWFQFEVXDOSLJO-YADHBBJMSA-N 520.590 1.578 0 50 KDAA COC(=O)c1ccccc1S(=O)(=O)N1CCCNC(=O)[C@@H]2C[C@@H]3CCCN3[C@@]23C(=O)N(CC1)c1ccccc13 2100533934 MCLDVSMBXQUFPM-ZCYRUUNBSA-N 552.653 1.710 0 50 KDAA CCOC(=O)CNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 103701532 QOODJIGZPUJBAH-YLJYHZDGSA-N 594.662 1.737 0 50 KDAA NS(=O)(=O)OC[C@H]1C[C@@H](Nc2ncncc2C(=O)c2ccn(Cc3cccc(Br)c3)n2)C[C@@H]1O 222112234 PZCKLTWSXFDLLP-OGWOLHLISA-N 551.423 1.486 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@]4(C)O 253591190 PBFGAFDJVQAMRS-FIJFTXQKSA-N 805.783 1.034 0 50 KDAA biogenic CCOCC(=O)N1CCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)c2cc(on2)C1 1772713565 MCVNRLYZMFOCQN-SIKLNZKXSA-N 594.673 1.450 0 50 KDAA CCOC(=O)[C@@]1(CC2CC2)CNC(=O)CCCN(C(=O)COC)CCNC(=O)COc2cc(ccc2OC)C1 1775979594 MNUFPKQTJSZQRJ-MUUNZHRXSA-N 547.649 1.467 0 50 KDAA O=C(Cn1cc(Br)c(O)nc1=O)N1CC(F)(c2cn(-c3cccc4c3CCCC4)nn2)C1 2325851019 NEGPKUKEUQRZCP-UHFFFAOYSA-N 503.332 1.878 0 50 KDAA CC(C)=C(C(=O)O)N1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H]1S(=O)(=O)CC(=O)c1ccccc1 44123702 XQKYYXJOBOVJJL-OFNKIYASSA-N 500.529 1.395 0 50 KDAA CN1CCOC[C@H]1C(=O)N1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)C1 1704336686 JRWLBFROUDPAGP-SVBPBHIXSA-N 624.142 1.921 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)c1cccc(OCC(N)=O)c1)CCCCNC2=O 1857704353 ORZHMTQUTZTFHH-YQQMXWFASA-N 790.871 1.649 0 50 KDAA COc1ccc2cc1OCCn1nc(-c3ccccc3)nc1[C@@H](C(C)C)NC(=O)CN(C(=O)CCn1cnnn1)CCNC2=O 1857724489 YIBNVBYGMHLTCM-HHHXNRCGSA-N 616.683 1.495 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O 95535681 PBFGAFDJVQAMRS-MZUKADHZSA-N 805.783 1.034 0 50 KDAA COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](C)C(=O)N3CCN(S(C)(=O)=O)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 253403015 GWFGAJHDLFCCBH-JTSKRJEESA-N 602.710 1.767 0 50 KDAA biogenic CC(=O)OC[C@@H]1O[C@@H](NC(=O)C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 255989313 NCEAGRHWPMBXDK-REVGZIBBSA-N 684.651 1.568 0 50 KDAA O=C1N[C@H]2CN(C(=O)C3CCN(C(=O)c4ccccc4Cl)CC3)C[C@@H]2OCc2cn(nn2)CCOc2cccnc21 952855949 VIKMKDBBSUZVLO-UPVQGACJSA-N 580.045 1.797 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)CCc2nc3ccc(F)cc3[nH]2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713576 LHHSXLDXKKRIPJ-TVNVSJRUSA-N 697.768 1.752 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)CCC(F)(F)F)CN2C(=O)[C@@H](NC(=O)Cc2cccc3ccccc23)CCCCN1 1857706773 QFWIKLGWTVHLEL-VZVHPENPSA-N 661.678 1.945 0 50 KDAA CCOC(=O)[C@@]1(CCC(C)C)CNC(=O)CCCN(C(=O)c2cc(=O)n(C)c(=O)n2C)CCNC(=O)COc2ccc(cc2OC)C1 1857699381 ONIMBAWJUDEGML-MGBGTMOVSA-N 657.765 1.168 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@@H](NC(=O)[C@H]1CCCN1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 2084369683 WIWFLFBWDJBKPH-YSGXDJDMSA-N 678.831 1.138 0 50 KDAA C[C@H]1NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(C(=O)[C@H]4CCCO4)C3)CN2C(=O)[C@H](Cc2ccccc2)NC1=O 2100533426 ONMVVTWRLQVBJY-ZGCCOFLOSA-N 510.635 1.257 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cnn4ccn(C)c34)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356161535 ZEDZIFSIDPHSBO-ZCYQVOJMSA-N 574.594 1.401 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccc(Cl)cc3)n2C)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 230032970 ZUHNIJKKUNIBLE-GMISPTPDSA-N 585.035 1.796 0 50 KDAA CO[C@@H]1O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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@]3(C)[C@@H]2C[C@H]1C 1772491558 BVIDWSOBXYNOCV-RWAKQJQHSA-N 726.901 1.052 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2cc(on2)CN(C(=O)c2cccc(Oc3ccccc3)c2)CCNC1=O 1772705711 ZDQJXFWTGHCRJU-WMRGTZNCSA-N 634.690 1.364 0 50 KDAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(C(=O)c2ocnc2C)CC(=O)N[C@H]1C 2356161482 XEXZDYOAHWZFJO-LBUQITIBSA-N 516.551 1.327 0 50 KDAA CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Cl)nc(I)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 72099495 BYOJIJDSBSWKKE-SDBHATRESA-N 538.682 1.408 0 50 KDAA in-vitro COCCN1CC(=O)N[C@H]2CN(C(=O)c3ccc(OC)nc3OC)C[C@@H]2OCc2cccc(c2)Oc2cncc(c2)C1=O 952865370 PLMXVKCVPYANLM-DQEYMECFSA-N 591.621 1.914 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(Cc3nnc(-c4ccccc4)o3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772713651 NYQGZLSYKDYZHI-AOHYXGPVSA-N 739.830 1.757 0 50 KDAA COc1cc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OCc2ccccc2)cc(OC)c1OC 9974823 FLOAHUVLQGNUGR-QGZVFWFLSA-N 501.561 1.661 0 50 KDAA CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[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]3[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@]12C 253619165 YURJSTAIMNSZAE-NZJNRXRXSA-N 801.024 1.120 0 50 KDAA biogenic CN1CC(=O)N[C@H]2CN(C(=O)CCn3cnnn3)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952865618 SZJQMESFYZATAI-LOSJGSFVSA-N 547.616 1.563 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)Cn2cc(C)c(O)nc2=O)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704324669 CNGRBCFFBBEBHG-SXVMXVNTSA-N 731.851 1.581 0 50 KDAA Cc1nc(CN2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)O)NC3=O)sc1C 1772713796 TZMFHLYMXFVNPE-RSHDXIQLSA-N 706.866 1.780 0 50 KDAA COCCN1CC(=O)N[C@H]2CCc3c(c(nn3C)C(=O)NCCCN(C(=O)c3cnn(Cc4ccccc4)c3)CCCC1=O)C2 1875240084 HSOSRPIJSGMEHO-VWLOTQADSA-N 618.739 1.170 0 50 KDAA COc1ccc([C@H](CC(=O)NC2CCN(S(C)(=O)=O)CC2)c2c(O)nc3ccccn3c2=O)cc1 2049512051 WFAZITXDKLIURQ-IBGZPJMESA-N 500.577 1.471 0 50 KDAA O[C@H](COc1ccc(OC[C@H](O)CN2CCN(c3ccccn3)CC2)cc1)CN1CCN(c2ccccn2)CC1 820861 YMFVLSLGXRHKJT-WMPKNSHKSA-N 548.688 1.600 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](Nc2ccc(C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 254319742 ZQXSFOAPFLRFGY-PTWDJHQXSA-N 725.697 1.027 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)Cc2ccc(cc2)OCCNC(=O)[C@H]2CCCN2C1=O 1772707744 YTMPDAXNFNJMOW-UJLGHMMASA-N 657.772 1.749 0 50 KDAA CC(=O)OC[C@H]1O[C@H](On2c(-c3ccccc3)nc3ccccc3c2=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 1857666455 KWJKVIYKVIMPRC-KAUKRTNFSA-N 568.535 1.575 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)[C@@H]1CCC(=O)N1)CCCCNC2=O 1857688894 YQMMPIFQXXLYBA-PZGXJGMVSA-N 623.707 1.884 0 50 KDAA CCOC(=O)CNC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc1ccc(OC(=O)OC(C)(C)C)cc1)NC(=O)OC(C)(C)C 103701536 QOODJIGZPUJBAH-XLIONFOSSA-N 594.662 1.737 0 50 KDAA COc1cc2ccc1OCC(=O)NCCCN(C(=O)CCCN1CCCCC1=O)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC(=O)CC2 952864991 KFTPBTSJJBKNOT-WANZFQKJSA-N 744.931 1.441 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)c2ccc(cc2)CN(C(=O)COC)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704322642 KRZBJQUNGWETCE-VAPSASEMSA-N 637.778 1.957 0 50 KDAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(S(=O)(=O)C2CC2)CCCNC(=O)COc2ccc(cc2)C1 1857690630 HXNIQCCLMKHNTN-HHHXNRCGSA-N 567.705 1.404 0 50 KDAA COc1cc2ccc1OCCNC(=O)CN(C(=O)c1cn3cc(Cl)ccc3n1)CCCNC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC2=O 1857740064 GFBFUHVRQIVPGX-WMZHIEFXSA-N 654.124 1.263 0 50 KDAA C[C@H]1NC(=O)[C@H](CCc2ccccc2)NC(=O)CCC[C@H]2[C@@H]3C[C@@H](CN(Cc4cnn(C)c4)C3)CN2C1=O 2100533150 BZZZJWCQAZQPCU-ZRCDDJQWSA-N 520.678 1.875 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)Cc3ccc(S(C)(=O)=O)cc3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356161086 FWCZYZMWQWJVSV-XCZPVHLTSA-N 623.684 1.747 0 50 KDAA COc1cc(N2CC[C@H]3Oc4cc(F)cc(c4)CNC(=O)COc4cc(ccc4OC)C(=O)N[C@H]3C2)[nH]c(=N)n1 2356161993 RVAHZGPVGPZTKV-VQTJNVASSA-N 552.563 1.510 0 50 KDAA CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(C)[C@H](C2)C[C@H]2O[C@H]4C[C@H](C5=CC(=O)OC5)[C@]5(C)C(=O)[C@H](O)[C@@H]3[C@@H]2[C@]45O)O[C@H](C)[C@@H]1O 257347186 XYPIGUUTGMMFPH-BFXKJOTHSA-N 562.656 1.276 0 50 KDAA COc1cc([C@H](CC(N)=O)c2oc(CN3C[C@@H]4C[C@H](C3)Cn3c4cccc3=O)cc(=O)c2O)cc2c1OCCO2 409413465 FBFJWBVNTUANHB-KPFFTGBYSA-N 549.580 1.914 0 50 KDAA biogenic COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1ccncc1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952864931 SODGRVHFSNQDCS-RQELPRGNSA-N 678.791 1.713 0 50 KDAA CCN1CCC[C@H]1C(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O 952865058 OGGBNUVCEAWLDG-ZEQRLZLVSA-N 521.666 1.161 0 50 KDAA COc1ccc(C2(C(=O)N3C[C@@H]4CC(=O)NCCN(C)C(=O)c5cccn(c5=O)Cc5cn(nn5)[C@@H]4C3)CCCC2)cc1 952865485 YXNAKFWVKUVLLM-HFZDXXHNSA-N 587.681 1.600 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)[C@H]1CCCNC1)CCCNC(=O)[C@@H](C)NC2=O 1704322186 KCYYJCWIQSQOEL-UXHICEINSA-N 511.627 1.022 0 50 KDAA Cc1cc(C(F)(F)F)n2nc(C(=O)N3CCCCNC(=O)[C@H](Cc4cnc[nH]4)NC(=O)c4cccc(c4)OCCNC(=O)C3)cc2n1 1857739976 BOUHCEHEHVMLEB-QFIPXVFZSA-N 655.638 1.668 0 50 KDAA 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](O)[C@]1(C)O 169722582 ULGZDMOVFRHVEP-SLODEJOZSA-N 733.937 1.786 0 50 KDAA COCC1(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)CCC1 952857674 RBDHUMRUVFDQIR-HSZRJFAPSA-N 558.655 1.958 0 50 KDAA COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)CCn3c(=O)oc4ccc(C)cc43)C[C@@H]1NC2=O 952869082 HXZGAVRJXFAEJC-CPJSRVTESA-N 562.583 1.512 0 50 KDAA CC[C@H]1CN(C(=O)Cn2nc(C)cc2C)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704321380 LIULDFISDBUIPX-DNZIZEQUSA-N 595.745 1.000 0 50 KDAA O=C1NCCCCN(C(=O)c2cn(-c3ccccc3)nn2)CCCN(C(=O)c2ccccc2)[C@@H]2CN[C@H]1C2 1704321428 OJBIUROROARVPD-ZEQRLZLVSA-N 515.618 1.883 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc3c(c2)CCO3)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772700773 DSURUSVBVKQGIF-PWUSVURUSA-N 653.736 1.352 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1c(C)ncnc1C)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772706348 YZMYFYCAJYNPGZ-IRPSRAIASA-N 617.755 1.977 0 50 KDAA COCC[C@]1(C(=O)NCc2ccccc2Cn2cccn2)CNC(=O)CCCN(S(C)(=O)=O)CCCNC(=O)COc2ccc(cc2)C1 1875240773 ZGJYUPCRVQSCEK-UUWRZZSWSA-N 682.844 1.870 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@@H](O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 3938684 VJJPUSNTGOMMGY-MRVIYFEKSA-N 588.562 1.339 0 50 KDAA biogenic,fda CNC(=O)[C@@H]1O[C@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@H]1O 253636058 IPSYPUKKXMNCNQ-ZFRZLUBXSA-N 544.737 1.062 0 50 KDAA in-vitro CCN1CC(=O)N[C@H]2CN(C(=O)Cn3cc(C)c(O)nc3=O)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952857855 YVBJAQJPACFXKA-UIOOFZCWSA-N 589.649 1.757 0 50 KDAA O=C1CN2C(=O)[C@]3(CCN(C(=O)CN4CCOC4=O)[C@H]3c3cccc(c3)OCCCN1)c1ccccc12 952865986 ZUEBVODJNYMHKQ-RPLLCQBOSA-N 504.543 1.596 0 50 KDAA CC(C)CCC(=O)N1CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC1 1704318854 SKLJEBSBDVIFIQ-RWCIVJTCSA-N 557.736 1.924 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(S(=O)(=O)c1ccc3c(c1)OCCO3)CCCNC(=O)[C@@H](C)NC2=O 1704322952 QRIWBHLRYMHTMZ-HXUWFJFHSA-N 598.682 1.656 0 50 KDAA Cc1cc(=O)c2ccccc2n1CC(=O)N1CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCC1 1704323596 RMNACFHHMYQQQV-CEQYTIJJSA-N 658.800 1.812 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CSc2ccc(Cl)cc2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704324185 YCZXXQAENGYOBJ-IURLTMSJSA-N 687.263 1.658 0 50 KDAA Cc1nc(C(C)C)sc1C(=O)N1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCO[C@H](C1)[C@H]2O 1704341352 ZNSKEULHIGAYFZ-SCTDIVFKSA-N 698.887 1.771 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(Cc3cccc(-n4cccn4)c3)CC2)Oc2ccc(cc2)OCCNC1=O 1772713895 WKSKQNYFBHSVRJ-BIWWMPFASA-N 723.831 1.504 0 50 KDAA C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@@H]4CC[C@]32C)O[C@]12CC[C@@H](C)CO2 1775966664 SKHJNNFXCKTDBG-VLLJRLJASA-N 708.886 2.000 0 50 KDAA Cc1noc(C)c1S(=O)(=O)N1CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)CCC1 1704316047 JGFKGSBHCZJCSC-HTAPYJJXSA-N 558.661 1.296 0 50 KDAA CC[C@H]1CN(C(=O)c2cc(OC)ccn2)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704316531 TVOSGYBUEHLEQI-VQPAQMSKSA-N 594.713 1.204 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc3c(c2)CCCO3)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772700304 BJGBPCRHBMTJQU-KEPSJGTLSA-N 667.763 1.742 0 50 KDAA CC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)NCCc1noc(Cn3ccccc3=O)n1)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 1848443312 GGIKLGNFCGMHND-DKMXYKQUSA-N 595.660 1.923 0 50 KDAA COc1cc(C(=O)NCCN2CCCCC2)ccc1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 253497461 FPLGXEKADHTSNC-LMFHIIRPSA-N 608.641 1.373 0 50 KDAA biogenic Cc1cc(C)n2ncc(CN3CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c4ccc(C)c(c4)OCCCn4cc(nn4)CC3)c2n1 952862071 JNALNCVKTMJIKO-AMGIVPHBSA-N 589.701 1.369 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2scc3c2OCCO3)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704328071 XGWWSXDDCOFAOG-RBODFLQRSA-N 659.831 1.586 0 50 KDAA C[C@@H]1NC(=O)[C@H](CO)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCN(Cc3ccccc3)CC2)Oc2ccc(cc2)OCCNC1=O 1772700962 KQQGIXBCNIPRTA-RVQNBHMFSA-N 657.768 1.318 0 50 KDAA COc1ccc(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)cn1 1772714464 RVXHFRIIURGCOM-SGIRGMQISA-N 661.764 1.224 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)CCNC(=O)COc2cccc(c2)C1 1857706879 ABYAKIKFIGNHEP-JGCGQSQUSA-N 674.773 1.266 0 50 KDAA CC(C)CCN1CC(=O)N[C@@]2(CCCc3ccccc32)C(=O)NCCCCN(S(C)(=O)=O)CC1=O 2356137944 BIPHJJJGCHXURF-RUZDIDTESA-N 506.669 1.381 0 50 KDAA 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@]1(C)O 248163159 MQTOSJVFKKJCRP-HYZXDXJLSA-N 748.996 1.901 0 50 KDAA in-vitro CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(C)=O)[C@@](O)([C@@H](OC)[C@@H]23)[C@@H]14 252426643 IPWQJEONCUFCOR-OTTDVMIISA-N 710.821 1.952 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@H](C)C3=O)CC[C@@H](OC)[C@]34[C@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(C)=O)[C@@](O)([C@@H](OC)[C@@H]23)[C@@H]14 252426645 IPWQJEONCUFCOR-SLTMXPTQSA-N 710.821 1.952 0 50 KDAA Cc1cc(S(=O)(=O)N2C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C2)c(C)s1 952856661 BXDFYSRBMQKPNS-WMZOPIPTSA-N 504.594 1.132 0 50 KDAA COc1ccc(F)c(F)c1C(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1772713812 SXQAOYBMVPAKNT-YMSRPXOMSA-N 677.705 1.704 0 50 KDAA COc1cc2cc(c1OC)-c1cncc(c1)C(=O)N[C@H](CC(C)C)C(=O)NCCN(C(=O)Cn1cnnn1)C2 1772714125 BBJNDFNXMQFBCN-OAQYLSRUSA-N 536.593 1.055 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](Nc2ccc(C)cc2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1857666271 ZQXSFOAPFLRFGY-LTYUSKMDSA-N 725.697 1.027 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)N1CCCC1)C2 1857704084 CTCAKVHWDNUQMB-HHHXNRCGSA-N 500.640 1.641 0 50 KDAA COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)Cc1ccc(O)cc1 25782810 UXCUYXDJYCOPDL-SDHOMARFSA-N 521.570 1.301 0 50 KDAA CCOC(=O)[C@H](C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C[C@@H](O)COc1ccc(Br)cc1 53352748 ZYBBJYBOYDBORJ-WCQYABFASA-N 527.397 1.669 0 50 KDAA O=C(CCN1C(=O)C=CC1=O)NCCCOCCOCCOCCCNC(=O)O[C@H]1CCC=CCCC1 98050698 BJZRPWAVCDJCTC-QFIPXVFZSA-N 523.627 1.863 0 50 KDAA CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@](C)(F)[C@@H]1O)Oc1ccccc1 100074252 TTZHDVOVKQGIBA-IQWMDFIBSA-N 529.458 1.657 0 50 KDAA fda COc1cc2c(c(OC)c1OC)-c1ccc(NCC(=O)N[C@H]3CCS(=O)(=O)C3)c(=O)cc1[C@@H](NC(C)=O)CC2 263585050 DOMDQVZWNTWBJH-PXNSSMCTSA-N 559.641 1.578 0 50 KDAA biogenic CCn1ccc(C(=O)N2CCNC(=O)[C@@H](CC(C)C)NC(=O)c3cc(F)ccc3OCCn3cc(nn3)CC2)cc1=O 952863115 BMTCIGVSHMCHAL-XMMPIXPASA-N 581.649 1.637 0 50 KDAA COc1ccc2cc1OCCN(C(=O)CCc1nc3ccccc3[nH]c1=O)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704323561 VLVCVSAQGCBWEM-GDLZYMKVSA-N 615.691 1.906 0 50 KDAA Cn1c(=O)oc2ccc(S(=O)(=O)N3[C@H]4CC[C@@H]3CNC(=O)c3cc(F)ccc3OCCNC(=O)C4)cc21 1857705946 BXBIDJRTKGVNQL-JKSUJKDBSA-N 532.550 1.121 0 50 KDAA CC[C@@H](C)[C@@H](O)[C@H](C[C@@H](C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O 141072950 JUDLIJIPXOXXNS-CRQVEMRTSA-N 521.648 1.294 0 50 KDAA CCN1CC(=O)N[C@H]2CN(C(=O)Cn3nccn3)CC[C@@H]2OCc2cccc(c2)Oc2cccc(c2)CC1=O 952857052 WEHFJKKFGIKNPS-DQEYMECFSA-N 532.601 1.778 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CCCn3cnc4ccccc4c3=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323569 RDASFFRJWMYEIE-DZVDWBIPSA-N 717.868 1.931 0 50 KDAA Cc1nn(CC(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC3=O)c(=O)c2ccccc12 1772713114 DQPBMIGLFQRXDS-SECNDIFOSA-N 751.841 1.391 0 50 KDAA COc1cc(CN2CCCNC(=O)Cn3nc(-c4ccccc4)nc3[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C2)cc2c1OCO2 1772817100 HCWFIXABSJZGCA-PPJWLVRDSA-N 690.802 1.917 0 50 KDAA Cc1nsnc1C(=O)N1CCCC(=O)NCCNc2ccnc(c2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC1 1857740111 ILXPFKGSKGRJPD-QFIPXVFZSA-N 564.672 1.163 0 50 KDAA O=C(NCC(=O)N1CCOCCOCCN(C(=O)CNC(=O)OCc2ccccc2)CCOCCOCC1)OCc1ccccc1 4577568 UCNUZDQKESBVEX-UHFFFAOYSA-N 644.722 1.576 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccccc2Br)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 252516016 PHDLJLBCUHARPE-OMZCGLGVSA-N 561.407 1.819 0 50 KDAA CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C)C(=O)O 255961747 ADBHAJDGVKLXHK-USUQEKAASA-N 864.010 1.077 0 50 KDAA CN1CC(=O)N[C@H]2CN(C(=O)CCn3ccc(O)nc3=O)CC[C@H]2OCc2cccc(c2)Oc2cccc(c2)CCC1=O 952861930 DHJBJJADGTYQCT-IZZNHLLZSA-N 589.649 1.838 0 50 KDAA O=C1CC[C@@H](C(=O)O)NC(=O)[C@@H]2C[C@@H](NC(=O)Cc3ccc(Cl)c(Cl)c3)CN2C(=O)[C@@H](NC(=O)Cc2ccc3c(c2)OCO3)CCCCN1 1857707001 VQUVKMMUSARTPS-OCFYOKIWSA-N 718.591 1.728 0 50 KDAA Cc1c(NC(=O)CN2CCN(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c(=O)n(-c2ccccc2)n1C 22575915 PCPKRSKWSPDTRJ-UHFFFAOYSA-N 572.670 1.477 0 50 KDAA CCn1ncnc1CN1C[C@@H]2NC(=O)CN(CCOC)C(=O)c3cncc(c3)Oc3cccc(c3)CO[C@H]2C1 952857492 VQHLAZSDQLLYLQ-ZEQRLZLVSA-N 535.605 1.473 0 50 KDAA CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2nc3c(s2)CCCC3)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952865484 YWLLMQUBWHPTDW-GHCDUBTHSA-N 638.791 1.395 0 50 KDAA C[C@@H](O)[C@@H]1NC(=O)COc2cccc(c2)[C@H]2CN(C(=O)c3ccccn3)C[C@@H]2NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(CC2CC2)C1=O 1704317967 LVQWOVICURSWST-CKZURDKKSA-N 682.778 1.030 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CN(C(=O)Cc2cc3c(cc2Cl)OCCO3)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704325985 QMQWPYZGBJLKNQ-ILRSDMEESA-N 773.353 1.612 0 50 KDAA CC(C)CCN1C(=O)CN(C(=O)c2cc[nH]c2)CCCNC(=O)CN(C)C(=O)c2nn(C)c3c2C[C@H]1CC3 1857740167 BJDVYSNGPMVWMQ-HXUWFJFHSA-N 525.654 1.215 0 50 KDAA CC(C)(C)OC(=O)N1CCC2(CC1)CN(S(=O)(=O)c1cccc3c1CN([C@H]1CCC(=O)NC1=O)C3=O)C2 2325899054 LCCAMBPBMCMIGA-SFHVURJKSA-N 532.619 1.469 0 50 KDAA CC[C@H](C)[C@H]1NC(=O)c2ccc(cc2)CN(C(=O)[C@@H]2CCCN2C(N)=O)CCCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccc(OC)cc2)NC1=O 1704316344 YNUILXRHQDJQCP-RTLNALNGSA-N 705.857 1.854 0 50 KDAA COc1cc2ccc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)c3ccoc3)CCCNC(=O)CC2)N(C(=O)CN2CCOC2=O)C1 1704319967 ZRZZYKKOAJNEKD-DQEYMECFSA-N 639.706 1.580 0 50 KDAA CC(C)[C@@H]1NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cn2cnnn2)CCCNC(=O)c2csc1n2 1772817827 SUDZHJSQBYUYRU-CYFREDJKSA-N 636.764 1.776 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccc3c(c2)OCCO3)CCNC(=O)COc2cccc(c2)C1 1857697034 RYUTVIGEZCARKK-WJOKGBTCSA-N 597.665 1.744 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNCCCCNC2=O 1857704556 XGFIHLLUFVVQKA-LHXLBICKSA-N 613.712 1.232 0 50 KDAA COCC[C@]1(C(=O)NCc2cnn(C)c2)CNC(=O)CCCN(C(=O)c2cc(C)on2)CCCNC(=O)COc2ccc(cc2)C1 1875242392 QCPDJUCIBDUYLL-JGCGQSQUSA-N 637.738 1.536 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)c2ccccc2NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O 2332925132 MIMIVDMPUMTORB-HHYKYNCKSA-N 777.920 1.109 0 50 KDAA CN1CCc2nc(C(=O)N[C@@H]3C[C@@H](C(=O)N(C)C)CC[C@@H]3NC(=O)C(=O)Nc3ccc(Cl)cn3)sc2C1 43200832 HGVDHZBSSITLCT-JLJPHGGASA-N 548.069 1.290 0 50 KDAA fda CC(C)(C)OC(=O)CCOCCOCCOCCOCCN(CCOCCOCCOCCO)CCOCCOCCOCCOCCC(=O)OC(C)(C)C 642881806 HUNABBFTEGRMNW-UHFFFAOYSA-N 802.009 1.927 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H]2CCC[C@H]2NC(=O)[C@H](C)NC(=O)[C@H]2C[C@@H](NC(=O)c3cc(Cl)ccc3F)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 952856025 CHGGLQHGUHONNE-GTHRDEQQSA-N 812.340 1.106 0 50 KDAA COc1ccc(CC(=O)N2CCC3(CC2)Cc2cn(nn2)CCCNC(=O)[C@H](Cc2ccccc2)NC3=O)cc1 952862811 DRNPOETVAQLVEP-SANMLTNESA-N 544.656 1.928 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(S(=O)(=O)c3ccc(-c4cc[nH]n4)o3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704322911 QDQVKRFAEBCGNL-NVSKSXHLSA-N 699.831 1.587 0 50 KDAA Cc1cccc(N2CCN(CC(=O)N3CC(=O)N[C@@H](Cc4ccccc4)c4nc(C)nn4CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C3)CC2)c1 1704322956 QSWZOOLYCGQWDL-SATCGAIXSA-N 671.847 1.605 0 50 KDAA COc1ccc2cc1OCCN(C(=O)CCn1cnc3ccccc3c1=O)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704324317 NHYMMRBMELWZLB-GDLZYMKVSA-N 615.691 1.837 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)c2csc(-c3cccs3)n2)CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O 1704338088 LPEPUPPOXLHETI-PWFOAPCDSA-N 751.932 1.605 0 50 KDAA C[C@H](CC[C@@H](O)C(C)(C)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3C[C@H](O)[C@@H]4C(C)(C)[C@@H](O[C@@H]5OC[C@H](O)[C@H](O)[C@@H]5O[C@@H]5OC[C@H](O)[C@@H](O)[C@H]5O)CC[C@@]45C[C@@]35CC[C@]12C 1775966418 CQGUDVRRZKLXFR-GNLBXLAASA-N 756.971 1.203 0 50 KDAA COc1cc2cc(OC)c1OCCCNC(=O)CN(C(=O)c1cccn1C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC2=O 1857740962 VOJACJBWACZZBA-WIOPSUGQSA-N 662.744 1.045 0 50 KDAA CN(c1cccc(NC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)CCN2S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O 59586852 XUOSFFKIPABSKE-XMMPIXPASA-N 592.721 1.785 0 50 KDAA COCCN1CC(=O)N[C@H](C(=O)N2CCc3[nH]nc(C(C)C)c3C2)Cc2ccc(cc2)OCC(=O)N[C@@H](CC(C)C)C1=O 952861819 HVMKWTJFKDEXPG-UIOOFZCWSA-N 596.729 1.544 0 50 KDAA C[C@@H]1NC(=O)[C@@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccc4c(c3)OCO4)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772703210 YTXPYLIKSIWCLU-VJZNMIETSA-N 729.787 1.076 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2cn3ccsc3n2)Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1772713914 UXDXIDLSPOPEQO-XFNNNQBHSA-N 681.816 1.022 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C(=O)C[C@@H]2CCC(=O)N2)CCNC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)c2csc1n2 1772817231 JCVDNPZRHWXQCM-DYLHXGEVSA-N 621.720 1.899 0 50 KDAA COc1ccc2cc1OCCn1nc(C)nc1[C@H](C(C)C)NC(=O)CN(C(=O)c1cc3n(n1)CCN(C)C3=O)CCCNC2=O 2356139679 VYWRKBOWQHHCAD-SANMLTNESA-N 621.699 1.045 0 50 KDAA CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@]2(O)[C@@H](C[C@]34O[C@]5(O)[C@@H](OC(C)=O)CC[C@]3(C)[C@@H]5C[C@@H](OC(C)=O)[C@@H]24)[C@H]2CN3C[C@H](C)CC[C@H]3[C@@](C)(O)[C@@H]12 253487431 KDOHXSPHEMVVCM-YCGXAGCDSA-N 677.788 1.469 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](Nc2ccc(C)cc2)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@H]1O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 254319738 ZQXSFOAPFLRFGY-OXQZYRQTSA-N 725.697 1.027 0 50 KDAA COCCN1CC(=O)N[C@H]2CN(C(=O)COC)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952856060 FZFIHSDNLUIBPD-OZXSUGGESA-N 555.628 1.767 0 50 KDAA CC(=O)NCCC(=O)N1CCCCNC(=O)[C@@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)C1 1704322282 LTRNRJPASIHQDD-NRSKXHDUSA-N 648.805 1.828 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)CN3CCc4ccccc4C3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323502 UIPVNWGLKOFLDT-DZVDWBIPSA-N 676.859 1.799 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cc[nH]c1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772703444 FYKKPWNVUFYJAC-SQHAQQRYSA-N 576.702 1.898 0 50 KDAA COc1ccc(-c2ocnc2C(=O)N2CCCC(=O)NCCOc3ccc(F)cc3C(=O)N[C@@H](CCC(N)=O)C(=O)NCC2)cc1 1857711092 GTYCNANGLCYIMX-QHCPKHFHSA-N 638.653 1.401 0 50 KDAA Cn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCc1ccccc1)C(=O)CCCN(C(=O)Cn1nc3ccccc3n1)CCNC2=O 1857724612 KIWJCTQBOCHORX-DEOSSOPVSA-N 625.734 1.262 0 50 KDAA COc1ccc(OCC(=O)NS(=O)(=O)N2CCCN(C(=O)COc3ccc(OC)cc3)CC2)cc1 1875342380 OORMQXAMFRZAAJ-UHFFFAOYSA-N 507.565 1.057 0 50 KDAA CC(=O)N[C@@H]1[C@H](Oc2ccc3oc(=O)sc3c2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 242701922 WSIIBQIRXPPYHU-QFCZJPRCSA-N 511.505 1.198 0 50 KDAA O=c1c(-c2ccc3c(c2)OCCO3)c(C(F)(F)F)oc2cc(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc12 1857525804 HDBMUOUNOGEIDP-GWGVIPHVSA-N 526.416 1.429 0 50 KDAA O=C1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)CCCNC(=O)c2ncccc2OCCN1 1857706747 PJIQVEMYJTWSII-NRFANRHFSA-N 561.636 1.311 0 50 KDAA C[C@H]1[C@H]2[C@@H](C[C@@H]3[C@@H]4CC=C5C[C@@H](O)C[C@@H](O[C@@H]6OC[C@@H](O)[C@H](O)[C@@H]6O[C@@H]6O[C@H](C)[C@H](O)[C@H](O)[C@@H]6O)[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 2084292132 SKHJNNFXCKTDBG-RRJASYBSSA-N 708.886 2.000 0 50 KDAA CSCC[C@H](NC=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 257355200 PJENNOWAVBNNNE-QUMGSSFMSA-N 584.739 1.925 0 50 KDAA COc1cc2ccc1Oc1cccc(c1)CO[C@H]1CN(C(=O)CN3C(=O)CNC3=O)C[C@@H]1NC(=O)CN(C1CC1)C(=O)CC2 952856841 GZDUFKZCFREMNC-OZXSUGGESA-N 605.648 1.189 0 50 KDAA CN1CCNC(=O)C[C@H]2CN(C(=O)CCC3CCCCC3)C[C@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 952857642 QHKHVRWSSKELLZ-NZQKXSOJSA-N 523.638 1.440 0 50 KDAA CN(C)C(=O)N1CCC(C(=O)N2C[C@@H]3NC(=O)c4ccc(Cl)c(c4)OCCCn4cc(nn4)CO[C@H]3C2)CC1 952867290 MBHQMBURPIDSQK-GMAHTHKFSA-N 560.055 1.634 0 50 KDAA CC(=O)c1ccc(C(=O)N2CCCNC(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]2C)s1 1704323422 VUVLXCXJZGKPNI-GSPPDTAYSA-N 597.738 1.628 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)Cn1nc(C)c3ccccc3c1=O)CCCNC(=O)[C@@H](C)NC2=O 1704323798 ZNKBDVKNYQOEOR-JOCHJYFZSA-N 600.680 1.741 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3ncc(F)cc3F)CC2)Oc2ccc(cc2)OCCNC1=O 1772703404 XEKQUFDUVUGNDA-VPYPWEPUSA-N 692.720 1.659 0 50 KDAA C[C@@H]1O[C@@H](O[C@@H]2[C@H](CO)O[C@@H](O[C@@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CO8)[C@H](C)[C@H]7[C@@]6(C)CC[C@H]54)C3)[C@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 1775953659 VNONINPVFQTJOC-OXSREHLTSA-N 869.055 1.242 0 50 KDAA CC(=O)N1CCNC(=O)c2ccc3nc(CC(C)C)n(c3c2)CCCNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)C1 1775980709 IALGDPLZVRCIQD-AMGIVPHBSA-N 617.751 1.565 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@H](NC(=O)CCn1cnnn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857688900 AELVHEABDROYIL-JSRYUEOTSA-N 727.871 1.855 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NS(=O)(=O)N2CCCC2)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1857704668 BCFPSWPODOMVDF-PYUDFEFMSA-N 696.871 1.332 0 50 KDAA CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3[C@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1[C@H](C)[C@H](C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O 253591196 PBFGAFDJVQAMRS-ZSKHZESYSA-N 805.783 1.034 0 50 KDAA biogenic CCc1ncc(S(=O)(=O)N2CCNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](C(C)C)NC(=O)Cc3cccc(c3)OCCn3cc(nn3)CC2)[nH]1 952855859 ISWVPLXNFFENIQ-RYCFQHDISA-N 719.869 1.417 0 50 KDAA CC(C)[C@H]1NC(=O)COc2ccc(cc2)C[C@H](C(=O)N[C@H]2CCc3ccccc32)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O 952870125 VOMJRYLELTUHDY-HLJBTNPKSA-N 603.720 1.547 0 50 KDAA COc1ccc(-c2n[nH]cc2CN2CC(=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)cc1 1704339704 XQHMCMJYYINKNF-SGUWXARASA-N 729.879 1.785 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccc3nn[nH]c3c2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713657 OAHJJYCPSRKZGE-LZCXECNNSA-N 671.763 1.092 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc3c(c2)OCO3)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1800430385 MFFVFJRPOVVCBB-NJTBCWBZSA-N 655.708 1.146 0 50 KDAA CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C)NC(=O)COc1cc(O)c2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)C(=O)CC(N)=O 150484461 MOIJAHWAZFJXSM-FOVJLYNBSA-N 692.722 1.787 0 50 KDAA biogenic COc1ccccc1N(C[C@@H](O)CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)S(=O)(=O)c1ccccc1 245246104 IMZIMBDEFBHUCM-SFTDATJTSA-N 523.677 1.056 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc(C)n(C)c3=O)C[C@@H]1NC2=O 1704344350 LNUUMUBAMKSBNS-DHLKQENFSA-N 546.580 1.413 0 50 KDAA Cc1ccc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)N2CCC[C@@H](N3CCNCC3=O)C2)c1 2325843988 VJHQZTVLJNFUHB-DNQXCXABSA-N 510.660 1.842 0 50 KDAA NC(=O)[C@@H]1C(=O)N(CCNC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)[C@@]23CCOC[C@H]2[C@H]1c1ccccc1O3 827695828 FLAXJEJSJJFDSA-DZKWNWTNSA-N 518.570 1.008 0 50 KDAA biogenic COCCC(=O)N1CCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CC1 952868776 AKTPDHNDLXXIEL-BHDXBOSCSA-N 647.777 1.305 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)C2CCN(C(=O)c3ccccc3Cl)CC2)CCCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC1=O 1704316038 JGDXOGMFLCLATI-JYFVDIORSA-N 808.377 1.456 0 50 KDAA Cc1c(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)cnn1-c1ccccn1 1772713191 HBFYOCWGZKCPFL-KEPSJGTLSA-N 692.777 1.306 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(S(=O)(=O)N(C)Cc2ccccc2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772713273 ILVQFPPPDUNZFZ-BXTSTYNKSA-N 709.874 1.357 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(S(=O)(=O)N1CCN(C)CC1)CCCCNC2=O 1857704867 ITWWFYYKSYENIG-SSEXGKCCSA-N 674.821 1.571 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3ccccn3)CCCC1=O)C2 1857725742 KQWYFEUMOFKELH-FQEVSTJZSA-N 537.665 1.281 0 50 KDAA O=C([C@]12[C@@H]3[C@H]4[C@H]([C@@H]5[C@@H]1[C@H]3[C@@]4(Br)C51OCCO1)C21OCCO1)[C@]12[C@@H]3[C@H]4[C@H]([C@@H]5[C@@H]1[C@H]3[C@@]4(Br)C51OCCO1)C21OCCO1 252427758 DZQMLNPYAZFVFQ-GYTUJOAVSA-N 680.342 1.299 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1ccccn1)CCCNC(=O)[C@@H](C)NC2=O 1704318693 RBVYURQKSBLMGW-LJQANCHMSA-N 505.579 1.731 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)c1cc3ccccc3n(C)c1=O)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772704591 MZFBQPMTKVDNOU-BPXGCVMRSA-N 725.851 1.536 0 50 KDAA O=C1NCCCN(C(=O)Cn2cnnn2)CCOc2cccc(c2)[C@H]2CN(C(=O)c3ccnc4ccccc34)C[C@H]12 2100533065 XTJQEXQRLKHORS-RPBOFIJWSA-N 554.611 1.505 0 50 KDAA COc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1OC 2979262 BDRVLOOORNVGID-UHFFFAOYSA-N 513.594 1.129 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)c2cn(C)cn2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704321657 FFCTWMVHQWSARL-WDDWZANVSA-N 746.895 1.480 0 50 KDAA COc1ccc2cc1O[C@H]1C[C@@H](C(=O)NCCCCN(C(=O)Cc3ccc(F)cc3)CCCNC2=O)N(C(=O)CCn2cnnc2)C1 1704322055 FYHUQQJUXIEWQB-SVBPBHIXSA-N 649.724 1.966 0 50 KDAA CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(Cc2ccncc2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704322679 OULSBFRRQJCFAG-GUFCLIDSSA-N 582.771 1.508 0 50 KDAA CC(=O)OC[C@@H]1O[C@H](NC(=S)Nc2ccc(Br)cn2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 1848442270 QACCEXUDTIMBQQ-IJCBKZNRSA-N 562.395 1.214 0 50 KDAA COc1ccc(S(=O)(=O)N2CCCC(=O)NCCOc3ccc(F)cc3C(=O)N[C@@H](CCC(N)=O)C(=O)NCC2)c2c1CCCC2 1857711450 ANCBXKKGLXAASD-DEOSSOPVSA-N 661.753 1.173 0 50 KDAA CC(C)OCCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 14411432 YDLXRIRYJGPRTF-JOCHJYFZSA-N 509.650 1.682 0 50 KDAA C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)CC[C@]6(C)[C@H]5CC[C@@]43C)N2C1 255270402 TYNQWWGVEGFKRU-AJDPQWBVSA-N 852.072 1.183 0 50 KDAA in-vitro C[C@@H]1NC(=O)c2cc(on2)CN(Cc2cccnc2)CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O 1772714469 RYRLJAMFNAXNKV-QKZGOTKPSA-N 623.714 1.775 0 50 KDAA O=C(Nc1ccccc1C(=O)N1CCOCC1)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 59603399 UXMKPXZPENSTGA-SANMLTNESA-N 598.703 1.862 0 50 KDAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(CCN2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 101859584 XTDHEOGJUOXHII-QKFIJCJASA-N 512.566 1.387 0 50 KDAA CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)C[C@@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@@](O)([C@H]5[C@H]6OC(C)=O)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 252460855 IPWQJEONCUFCOR-FGACQIPHSA-N 710.821 1.952 0 50 KDAA biogenic CC(=O)OC[C@@H]1O[C@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 257347045 OJVHDCHVHOISBO-PRUNNFMCSA-N 728.722 1.398 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)CCCN(C(=O)c3nnc4n3CCCCC4)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704321437 OSIUJRSNLSENKD-REWPJTCUSA-N 567.691 1.330 0 50 KDAA NC(=O)CCCC(=O)N1C[C@@H]2NC(=O)c3cc(cc(OCC4CC4)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772714517 UTUVOIAIFDDAKP-DQEYMECFSA-N 550.612 1.528 0 50 KDAA COCCC[C@]1(C(=O)NCc2nccn2C)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857706202 DNWBSHWIJJLBCR-WJOKGBTCSA-N 587.681 1.980 0 50 KDAA CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(C)C 150340635 FETZKXHXYOHAAN-LFYAFONDSA-N 727.690 1.751 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C(=O)C2CCN(C)CC2)CCN(C)C(=O)[C@H](C)NC(=O)CN(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2csc1n2 1704321455 PNTQFWZUVXVTKX-QZFRTWIZSA-N 763.966 1.774 0 50 KDAA Cc1ccc2[nH]c(CN3C[C@@H]4CC(=O)NCCN(C)C(=O)c5cccn(c5=O)Cc5cn(nn5)[C@@H]4C3)c(C)c2c1 1704321992 AKVDAFZMHFZVGM-RXFWQSSRSA-N 542.644 1.851 0 50 KDAA CC(C)C[C@H]1COc2ccc(cc2)C[C@H](NC(=O)CCn2cccn2)C(=O)N[C@H](C)C(=O)NC2(CC2)C(=O)N[C@H](Cc2ccccc2)C(=O)N1 1772713142 GAKZFKMGZANMFE-QQZIBPAVSA-N 685.826 1.805 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)c2cc(on2)CN(Cc2cscn2)CCNC(=O)[C@@H](Cc2ccccc2)NC1=O 1772713359 KIEVOYHKROPQFM-CTUHWIOQSA-N 595.726 1.640 0 50 KDAA C[C@H]1CC[C@H]2N(C1)C[C@@H]1[C@H](CC[C@H]3[C@@H]4CC(=O)[C@H]5C[C@@H](O[C@H]6O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]6O)CC[C@@]5(C)[C@@H]4C[C@H]31)[C@]2(C)O 1857513877 DHQFYEJMFMYGCV-LBYLJQJCSA-N 591.786 1.711 0 50 KDAA biogenic Cn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCc1ccccc1)C(=O)CCCN(C(=O)c1ccccn1)CCNC2=O 1857725232 XWJLXIKQHPSRLO-QHCPKHFHSA-N 571.682 1.526 0 50 KDAA CC(=O)N1CCC(C(=O)N2C[C@@H]3c4cccc(c4)OCCCCN(C(=O)C4CCOCC4)CC(=O)N[C@H]3C2)CC1 2100533668 DHJRLEATMOYKGR-SXOMAYOGSA-N 554.688 1.784 0 50 KDAA C[C@H](N)C(=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)Cc1ccc2ccccc2c1 301054362 VJBAWMTTYDQWBO-DQFLIFEJSA-N 817.992 1.754 0 50 KDAA C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(CO)cc1 575441530 TVGGLUXCWFYXJT-BATDWUPUSA-N 601.660 1.910 0 50 KDAA CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2ccc(O)nc2=O)[C@@](C)(O)[C@@H]1O)Oc1ccccc1 605699990 WAKQLZVLNOKKHE-BFQGEBBDSA-N 527.467 1.092 0 50 KDAA in-vitro CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cncc(Cl)c3)CN2C(=O)[C@H](C(C)C)NC1=O 952863149 GBAWZCUPSHQRGQ-GSOWEQMBSA-N 700.262 1.579 0 50 KDAA Cc1ccc(-c2cc(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)n[nH]2)o1 1704343750 NDHJZYPQCPVXHP-GDUARHCFSA-N 785.903 1.583 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)Cc1ccc(S(C)(=O)=O)cc1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772714331 MATPZSGGXCXHLV-BPXGCVMRSA-N 736.896 1.017 0 50 KDAA CC(C)(C)OC(=O)C(=O)N1CCN(CCCCCC(=O)Nc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)CC1 2325900140 MGNTYSRPKILGQA-FQEVSTJZSA-N 583.642 1.073 0 50 KDAA O=C1NCCCN(C(=O)CCCn2cncn2)CCOc2cccc(c2)[C@H]2CN(C(=O)c3ccncc3)C[C@H]12 2356136890 AICJSXANWPXTGL-RPBOFIJWSA-N 531.617 1.737 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cnc4cccc(C)n4c3=O)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162336 HYVMORPLNBJUEM-BDYUSTAISA-N 613.627 1.731 0 50 KDAA C[C@@H]1CC[C@H]2N(C[C@@H]3[C@H](CC[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]43)[C@]2(C)O)C1 253527818 DHQFYEJMFMYGCV-BPDLZWRRSA-N 591.786 1.711 0 50 KDAA biogenic,in-vitro COc1ccc2cc1OCCn1cc(nn1)CO[C@H]1CN(C(=O)CCC(=O)c3ccccc3)C[C@@H]1NC2=O 952862189 MPMYCWWDAAHEHV-OFVILXPXSA-N 519.558 1.868 0 50 KDAA COCCN1CC(=O)N[C@H]2CN(S(=O)(=O)N3CCCC3)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952862519 ASWIPGIBCPMQFE-LSYYVWMOSA-N 616.737 1.935 0 50 KDAA CC[C@H]1CN(C(=O)c2cc3c(nc2OC)CCC3)CC(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1 1704321970 JIAZTRANHDSOAA-JXUFNTQASA-N 634.778 1.693 0 50 KDAA CCOC(=O)[C@]1(Cc2cn([C@H]3CCCN(C(=O)[C@@](C)(O)Cn4ccc(C)cc4=O)C3)nn2)CCCCO1 1875358489 XWXZPQDNPQCCSM-OUIFVKKZSA-N 515.611 1.408 0 50 KDAA CCOC(=O)[C@]1(Cc2cn([C@@H]3CCCN(C(=O)[C@@](C)(O)Cn4ccc(C)cc4=O)C3)nn2)CCCCO1 1875358490 XWXZPQDNPQCCSM-QGUKFAFCSA-N 515.611 1.408 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)CCC[C@H]1[C@@H]3C[C@@H](CN(C(=O)CN4CCN(C)C4=O)C3)CN1C(=O)CC2 2356139386 WZQZOQOABJLVIL-CAOCKLPOSA-N 583.730 1.912 0 50 KDAA COCCNC(=O)Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2c1=O 4790890 JEGDCOMBTGIHAB-UHFFFAOYSA-N 502.568 1.414 0 50 KDAA COc1cccc2c1OCc1cn(nn1)[C@@H]1CN(C(=O)c3cnn(-c4ccccn4)c3C)C[C@@H]1CC(=O)NCCN(C)C2=O 952863377 FHHZHDJVYGSWGY-GBXCKJPGSA-N 599.652 1.660 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(C(=O)Cn1c(C)cc(=O)c3ccccc31)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713449 KAGJZRRQMWKKAZ-DWGJTTELSA-N 739.878 1.694 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](NC(=O)c2cc(C)nc3c2c(C)nn3C)Cc2ccc(cc2)OC[C@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1772714435 QJAQDXFXQDYDDH-VBLGZPNOSA-N 718.856 1.211 0 50 KDAA COc1ccc2cc1OCCN(C(=O)CN1C(=O)CNC1=O)CCCNC(=O)[C@H]1CN(C(=O)c3ccc4ncsc4c3)C[C@H]21 1875242151 KNOUWCBIIQZGBI-RTWAWAEBSA-N 620.688 1.440 0 50 KDAA COC(=O)c1ccc(C(=O)N2CCCNC(=O)[C@@H]3C[C@@H]4CCCN4[C@@]34C(=O)N(CCC2)c2ccccc24)nc1 2356134389 LBKNUDDSXHJNKW-HUOGWEQVSA-N 531.613 1.947 0 50 KDAA COc1ccccc1OCc1ccc(C(=O)N[C@H]2C(=O)N3C(C(=O)O)=C(COC(C)=O)CS[C@@H]23)o1 8927995 UDGMJBJYYCCPGT-AVRDEDQJSA-N 502.501 1.783 0 50 KDAA CCOCCOc1cccc(C(=O)N2C[C@@H]3NC(=O)c4ncccc4OCCn4cc(nn4)CO[C@H]3C2)c1 952857715 MHUQBBTYGBHIOL-GMAHTHKFSA-N 522.562 1.321 0 50 KDAA CC[C@@H]1NC(=O)[C@@H](C)NC(=O)c2csc(n2)[C@H](C(C)C)NC(=O)CN(C(=O)CCN)C[C@H](Cc2ccccc2)NC(=O)[C@H](CCSC)NC1=O 1704321147 FFRHEMLKLJNJLG-HWVKTHAQSA-N 730.958 1.126 0 50 KDAA Cc1ncnc(C)c1C(=O)N1CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CC1 1857668713 NBMKNNQIZIJTBK-DPOVLBOKSA-N 698.225 1.632 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1ccc[nH]1)CCNC2=O 2100533576 VMAVEHKEAGNPEA-NRFANRHFSA-N 569.707 1.108 0 50 KDAA COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3nn(C)cc3I)cc2)ncn1 679927 USRZVCGFRYFURB-UHFFFAOYSA-N 514.305 1.876 0 50 KDAA CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc4c(c3)OCO4)c2=O)=C(C(=O)OCC)[C@@H]1c1ccc2c(c1)OCO2 29749343 NPCIKBAIXSRSGB-QWTUVSAPSA-N 564.572 1.398 0 50 KDAA O=C(c1nn([C@@H]2CCCN(CCN3CCOCC3)C2)c2c1CS(=O)(=O)c1c(Cl)cccc1-2)N1CCOCC1 112939107 AYRHYIQWAHXGQS-LJQANCHMSA-N 564.108 1.932 0 50 KDAA COC[C@@]12CC[C@H](OC)[C@@]34[C@H]1[C@@H](OC)[C@@H]([C@H]3N(C)C2)[C@]1(OC(C)=O)[C@@H](O)[C@@H](OC)[C@]2(O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 245204638 FIDOCHXHMJHKRW-LJIOJVMOSA-N 615.720 1.287 0 50 KDAA biogenic Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)CN1CCOc3ccccc3C1)CCCNC(=O)[C@@H](C)NC2=O 1704316676 ZSGQEDDCRZLTDM-HSZRJFAPSA-N 589.697 1.917 0 50 KDAA 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)[C@H](Cc2ccccc2)NC1=O 1772713216 AMTPHHGCMUNCCG-IFDYJGHISA-N 761.833 1.312 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cc(C(F)F)[nH]n2)CCNC(=O)COc2cccc(c2)C1 1857702188 CVBFZNZCWRCBLZ-HHHXNRCGSA-N 579.601 1.633 0 50 KDAA O=C1CCCN(C(=O)Cn2cnnn2)CCCOc2cccc3c2OC[C@@]2(CN1)CN(C(=O)c1ccccc1F)C[C@@H]32 1875241125 OMSXVXMSHUOOFL-PZGXJGMVSA-N 577.617 1.638 0 50 KDAA CC(=O)Nc1ccc2c(c1)C[C@H](C(=O)NCCS(=O)(=O)NC(C)C)[C@H]1[C@@H]3C[C@H](CN21)Cn1c3cccc1=O 2084292124 NNQRICKVCGKWLC-GDNALLQQSA-N 541.674 1.415 0 50 KDAA CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(CC(N)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 2704079 DCXKBLVWKQIFBR-VFJWVMJUSA-N 532.578 1.009 0 50 KDAA CC(=O)c1cc(CC(=O)N2C[C@@H]3C[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCc2cn3nn2)cs1 952857896 XESHOOUCRXSPIR-LAOBSVPGSA-N 605.721 1.425 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)C(C)(C)OC)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704319278 UOXGVKZOFLMIQD-NCZODNFJSA-N 681.831 1.811 0 50 KDAA CSCCC(=O)N1CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)c2nc(C)nn2CC(=O)NCC1 1772702965 XSKRTICVVDVHGI-YBZFOXLFSA-N 642.827 1.124 0 50 KDAA COc1ccc(C(=O)N2CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc3ccccc3)C(=O)N[C@@H](C(C)C)c3nc(C)nn3CC(=O)NCC2)cn1 1772707094 SMDPKBXYBUJFSU-WCUBMSFQSA-N 675.791 1.088 0 50 KDAA Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)ccc12 58592154 JLKJMNJZJBEYLQ-SDHOMARFSA-N 665.748 1.401 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)[C@H]1CCCO1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704321489 QRLJOLZMTJNDKT-MRFOFCOLSA-N 679.815 1.565 0 50 KDAA COCCN1CC(=O)N[C@@H](C(C)C)C(=O)NCCOc2ccc(cc2)C[C@H](NC(=O)C2(C)CC2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O 1772713678 QEWWVBJNJBRJQC-GCRSFRQPSA-N 688.826 1.847 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)Cn1nc3ccccc3n1)CCCCNC2=O 1857704652 AOMPVELZJKVHIR-YQQMXWFASA-N 772.860 1.916 0 50 KDAA Cc1onc(-c2ccccc2)c1C(=O)N1CCCC(=O)NCCOc2ccc(F)cc2C(=O)N[C@@H](CCC(N)=O)C(=O)NCC1 1857741233 JVRJXTCNQLSGHK-QHCPKHFHSA-N 622.654 1.700 0 50 KDAA Cc1ccc(S(=O)(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc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in-vitro Cc1c(C(=O)N2CCCNC(=O)[C@H](Cc3ccccc3)NC(=O)CN(C)C(=O)[C@H](C(C)C)NC(=O)[C@H]2C)cnn1-c1ccccn1 1704316465 QOMPIAWGSHIZJQ-IXLXJOPFSA-N 630.750 1.253 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)Cc2ccc(cc2)OC[C@H](Cc2ccccc2)NC1=O 1704327925 VECPEIQSXKAEHA-KJJSPWQISA-N 778.929 1.055 0 50 KDAA COc1ccc2cc1OCCCNC(=O)C1CCN(CC1)C(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1800430754 XPZJLIXCJRELDU-QHCPKHFHSA-N 536.629 1.680 0 50 KDAA COc1cc(OC)cc(C(=O)N2CCC(C(=O)N3CCN4C(=O)[C@H](Cc5ccccc5)NC(=O)CCCn5cc(nn5)CNC(=O)[C@H]4C3)CC2)c1 952858089 UJBXTJJRABHIIK-IOWSJCHKSA-N 700.797 1.025 0 50 KDAA Cc1nc[nH]c1CN1CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1 1772702017 UAQWAFGLEXVLBH-WMTXJRDZSA-N 620.759 1.212 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@@H](C)NC(=O)CN(C(=O)c2ccccn2)CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1772704679 OPWWECFHIAWLCW-SGIRGMQISA-N 631.738 1.215 0 50 KDAA C[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)C2(CCN(C(=O)c3ccccc3)CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC1=O 1772706306 PLJHLUPWNQOPFG-QHNMYUOLSA-N 685.778 1.347 0 50 KDAA COc1cc2cc(c1OC)CCCNC(=O)C[C@@H]1CC[C@H](CNC(=O)CC2)N1C(=O)CNS(=O)(=O)c1cccs1 2100533416 OHMUYEARTIUTBY-LEWJYISDSA-N 592.740 1.605 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)CN3CCOC3=O)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704324400 OGGSCNOCDWQFOG-LDTKWQAYSA-N 816.957 1.402 0 50 KDAA C[C@H]1CN(C(=O)c2cc3cc(c2)C(=O)N[C@H]2CN(C(=O)c4ccc(Cn5cnnn5)cc4)C[C@@H]2Oc2ccc(cc2)CNC(=O)CO3)C[C@@H](C)O1 1772702969 BNSBJUHNIMFIJP-WVHIRFKFSA-N 694.749 1.681 0 50 KDAA COCCn1cncc1CN1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772706083 ORARQJZQENFCNI-NSQMQTOTSA-N 670.771 1.223 0 50 KDAA CCOC(=O)[C@]1(CC2CC2)CNC(=O)CCCN(C(=O)COC)CCNC(=O)COc2cc(ccc2OC)C1 1775979602 MNUFPKQTJSZQRJ-NDEPHWFRSA-N 547.649 1.467 0 50 KDAA O=C1CN(C(=O)[C@@H](c2cccnc2)N2CCOCC2)CCCNC(=O)c2cc(Cl)ccc2OCCN1 1857704715 CHKUUUBJQHGFGL-HSZRJFAPSA-N 515.998 1.266 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(S(C)(=O)=O)CCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 1857741641 NRZQZZHKKFUOCR-QHCPKHFHSA-N 540.646 1.842 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)CCCNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](C)NC1=O 1704323009 SEIVHEGBFLINAE-VKDNIZPPSA-N 744.812 1.368 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cc2cccnc2)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704326349 WBURBXSWMXQGSA-LMBLOSGASA-N 697.837 1.544 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)c3cccc4c3OCCO4)CC2)Oc2ccc(cc2)OCCNC1=O 1772713610 NBWRKIMFMGWCDZ-QRQMUESOSA-N 713.788 1.757 0 50 KDAA CC(C)C[C@H]1NC(=O)c2coc(n2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2C[C@H](NS(=O)(=O)N(C)C)CN2C(=O)c2coc(n2)[C@@H](C)NC1=O 1857708028 QFUFVUMBXWOACD-FYQWESGASA-N 684.776 1.077 0 50 KDAA COc1cc2cc(c1OC)-c1ccc3c(c1)[C@H](CCO3)NC(=O)CCN(C(=O)c1cc(-n3cnnn3)n[nH]1)CCNC(=O)CC2 1857725245 YKDVLRJBSOOUMI-QFIPXVFZSA-N 615.651 1.604 0 50 KDAA Cn1cncc1C(=O)N1CCCNC(=O)[C@H]2CN(C(=O)c3cncc(F)c3)C[C@@H]2c2cccc(c2)OCC1 1875240934 JRJVNPIQCDCYKE-PKTZIBPZSA-N 520.565 1.851 0 50 KDAA CC(=O)N[C@@H]1[C@H](Sc2nnc(COc3ccccc3C)n2C)O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 248005108 GDZJPAKEKJDVRZ-FFYZIMEISA-N 564.617 1.451 0 50 KDAA C[C@@H]1CC[C@@H]2N(C[C@@H]3[C@H](CC[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]43)[C@]2(C)O)C1 253487067 DHQFYEJMFMYGCV-IOHDAKGFSA-N 591.786 1.711 0 50 KDAA COc1ccc2cc1O[C@@H]1CN[C@@H](C1)C(=O)NCCCCN(C(=O)c1cc(C)nc(C)c1)CCCNC2=O 952866564 CKBBKPQOAZONHR-GOTSBHOMSA-N 523.634 1.989 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)CCCN3CCCCC3=O)C[C@@H]1NC2=O 1704335306 MVQJIQMYESLQMB-OZXSUGGESA-N 564.639 1.885 0 50 KDAA O=C1CC[C@@H](N2C(=O)c3cccc(NC(=O)CN4CCN(Cc5ccc(Cl)cc5)CC4)c3C2=O)C(=O)N1 2325900450 ZHSHHQOZGLTZIC-HXUWFJFHSA-N 523.977 1.498 0 50 KDAA C=CC(=O)OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C 100048682 MPIAGWXWVAHQBB-UHFFFAOYSA-N 578.567 1.351 0 50 KDAA Cc1ccc2c(c1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)NCc1cn(nn1)CCO2 952861871 CRCKMROJVLVFAJ-ZOSUSCCZSA-N 575.670 1.282 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(S(=O)(=O)C2CC2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952869459 KRFPDKDWEWZFJX-IGYGKHONSA-N 665.817 1.234 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)c1ccc(Cn3cnnn3)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704321480 QHNYHWHUHWUELQ-PFDXXMEMSA-N 767.888 1.735 0 50 KDAA CN(Cc1cscn1)C(=O)c1cc2cc(c1)C(=O)N[C@H]1CN(S(=O)(=O)c3cnn(C)c3)C[C@@H]1Oc1ccc(cc1)CNC(=O)CO2 1772703030 GAWWAWDNGHXNOU-SVBPBHIXSA-N 665.754 1.408 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)CN(C(=O)CO)CCCCNC2=O 1857697293 NUEXCFHVQMVJCC-HHHXNRCGSA-N 570.643 1.598 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CCCN(C(=O)c1ccc(Cn3cnnn3)cc1)CCCNC2=O 2100534006 PEUCMGWIQHOCGI-QHCPKHFHSA-N 561.691 1.994 0 50 KDAA CCOC(=O)N1CCN(S(=O)(=O)c2cccc3c(S(=O)(=O)N4CCN(C(=O)OCC)CC4)cccc23)CC1 8397692 AVIVSORJIMMIFG-UHFFFAOYSA-N 568.674 1.765 0 50 KDAA CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)NC(=O)N[C@H]1c1ccco1 138565671 TVFQIFYAOPTNTQ-SFHVURJKSA-N 531.465 1.991 0 50 KDAA 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@]1(C)O 248163164 MQTOSJVFKKJCRP-KKBGNUGRSA-N 748.996 1.901 0 50 KDAA in-vitro CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)c2scc3c2OCCO3)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952870402 ZLWMJHCNKDSSLL-QZANCMGBSA-N 701.843 1.396 0 50 KDAA Cc1cnc(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)cn1 1704322420 HVXFMULKWXYHCR-TYFYUWPDSA-N 705.842 1.020 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704327879 UIWBJVVQBWWNID-BRWNIOCJSA-N 623.751 1.406 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cnn3ccn(C)c13)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713086 CDYWNLVKAUMGDC-NAKRPHOHSA-N 630.754 1.556 0 50 KDAA COc1ccc2cc1OCC(=O)NCCNCCCC(=O)NC[C@](CC1CC1)(C(=O)NCCn1c(C)cc(C)nc1=O)C2 1857698626 AQJMHYBBAUURLW-WJOKGBTCSA-N 596.729 1.009 0 50 KDAA CC(C)C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(c3ncnc4ccsc34)C[C@@H](CNC1=O)O2 1857714254 XEYNMJUINQARGA-GNLZIIPMSA-N 607.737 1.112 0 50 KDAA Cc1cc(=O)nc(-c2ccc(-c3ccc4c(c3)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N3C[C@@H](O)C[C@H]3C(=O)NCCO4)cc2)[nH]1 2100532825 BQZPLNUZCQMGPP-AOYBRMONSA-N 630.702 1.142 0 50 KDAA Cc1ccc(C(=O)N[C@@H]2COC3(C2)CN(C(=O)OC(C)(C)C)C3)c(-n2cc(CN3CCOCC3=O)nn2)c1 2325871607 RSHOHOBTVFBIPC-SFHVURJKSA-N 526.594 1.443 0 50 KDAA O=C1CC[C@@H](N2Cc3ccc(-n4cc(C(=O)Nc5ccc(CCN6CCOCC6)cc5)nn4)cc3C2=O)C(=O)N1 2325898537 JHJCOCPILQKZGA-XMMPIXPASA-N 543.584 1.155 0 50 KDAA CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O 97945834 QMJVJXMTYZIZKH-UHFFFAOYSA-N 717.847 1.185 0 50 KDAA O=C(CN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(CCN2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)CC1 100680837 XTDHEOGJUOXHII-QXVOXHNYSA-N 512.566 1.387 0 50 KDAA Cc1ccc2c(c1)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1cn(nn1)CCO2 952857705 VVKNUQOOQZZQME-AWCRTANDSA-N 645.761 1.569 0 50 KDAA CC(C)C[C@H]1NC(=O)Cc2cccc(c2)OCC(=O)NCCCN(C(=O)CCc2ccc3c(c2)OCO3)CCCCNC(=O)[C@H]([C@@H](C)O)NC1=O 952868270 HZZNETUDJNXADR-RKBFCLKKSA-N 709.841 1.611 0 50 KDAA CC(C)[C@H]1NC(=O)Cc2cccc(c2)OCCn2cc(nn2)CCN(C(=O)c2ccc(Cn3cnnn3)cc2)CCNC(=O)[C@H](Cc2ccccc2)NC1=O 952869782 OLZKJOKQEDTCLK-PUDHBBIYSA-N 747.861 1.617 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@@H](CC(C)C)NC(=O)CCCN(C(=O)CCc3c(C)nc4ncnn4c3C)CCCNC(=O)[C@H](C)N(C)C2=O)cc1 1704318010 MKGZBECOGFNPJD-XGNZJKERSA-N 719.888 1.916 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2ccncc2)CCNC(=O)COc2cccc(c2)C1 1775983890 UZTNYTZXUFTQEP-MUUNZHRXSA-N 540.617 1.367 0 50 KDAA COc1ccc2cc1Oc1cccc(OC)c1CNC(=O)[C@@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)CN(C(=O)Cn1cnc3ccccc3c1=O)CCCCNC2=O 1857702958 KBLLGZDJQJWIPH-HIFCGXMBSA-N 799.882 1.881 0 50 KDAA CC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC(=O)NCCNc4ccnc(c4)C(=O)N[C@@H](Cc4ccccc4)C(=O)NCC3)ccc21 1875242172 LHCVXBCBRKCJLD-PMERELPUSA-N 675.812 1.851 0 50 KDAA COc1ccc(OC)c(S(=O)(=O)N2CCCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)c1 672568 ODCDWNCMOMTIIX-UHFFFAOYSA-N 500.595 1.806 0 50 KDAA NCCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)/C=C/c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 98052517 XKRAKQXQVIGYQC-PHOSSJRVSA-N 739.874 1.067 0 50 KDAA in-vitro CCN1C[C@@]2(COC)[C@H](OC(C)=O)C[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC)[C@H](O)[C@@](OC(C)=O)([C@@H]([C@@H](OC)[C@@H]23)[C@@H]14)[C@H]5[C@H]6OC(=O)c1ccccc1 257531443 RIPYIJVYDYCPKW-DBHGCQERSA-N 687.783 1.219 0 50 KDAA CO[C@@H]1O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)C[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@]3(C)[C@H]2C[C@H]1C 1772491561 BVIDWSOBXYNOCV-YBARFNSLSA-N 726.901 1.052 0 50 KDAA CC(C)CN1CC(=O)N(C)[C@H]2CCc3c(c(nn3C)C(=O)NCCN(C(=O)c3cnc4cnn(C)c4c3)CCCC1=O)C2 1857724376 AEFGSVQMMPJIOU-NRFANRHFSA-N 591.717 1.168 0 50 KDAA C[C@@H]1NC(=O)CN(S(C)(=O)=O)CCCNC(=O)c2cccc(c2)OCCn2nc(-c3ccccc3)nc21 2356134806 CYUYJFGOYSTMAP-SFHVURJKSA-N 526.619 1.596 0 50 KDAA CN1C(=O)N(C)[C@]2(c3ccccc3)Nn3c(s/c(=C4\C(=O)Nc5ccccc54)c3=O)=N[C@]12c1ccccc1 33355403 XQIRFNMJKOFJIP-DWGSCWETSA-N 522.590 1.941 0 50 KDAA 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)C[C@@H](O)[C@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 67902727 YXSQSVWHKZZWDD-IWSVBZIKSA-N 680.832 1.498 0 50 KDAA biogenic,in-vitro COc1ccc2cc1OCc1cn(nn1)CCCN(C(=O)c1cc(C)on1)CCCCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](CC(C)C)NC2=O 952857467 ZLMGRKRMCAEQBI-QZANCMGBSA-N 682.779 1.615 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(Cc2cccc(OCC(N)=O)c2)CCCNC1=O 1704316534 TXCAAIGTSKDKIM-VTTCDHFQSA-N 622.767 1.026 0 50 KDAA COc1ccc2cc1OCCN(C(=O)CCN1CCCCCC1=O)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704321752 YDEDXUNYKPDJFS-MUUNZHRXSA-N 582.702 1.829 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3nnc4n3CCCCC4)C[C@@H]1NC2=O 1704322014 BQOBBVPSEKGOPW-URXFXBBRSA-N 560.611 1.724 0 50 KDAA Cc1noc(C)c1CC(=O)N1CCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](C)NC(=O)C1 1772703309 KOKHMQQVUKQOOP-VVZHRXSXSA-N 663.780 1.354 0 50 KDAA CC(C)[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]2CN(C(=O)c3cc4ccccc4o3)C[C@H](CNC1=O)O2 1857709529 CRUMGBDMBWCDPD-WMSJLGCSSA-N 603.676 1.099 0 50 KDAA CCN1CCN(C(=O)CN)CCC(=O)NC[C@H]2CCCN(C2)c2nc3cc(OC)c(OC)c(OC)c3cc2C1 1875242433 SCVDWGJIPNPGPU-LJQANCHMSA-N 542.681 1.606 0 50 KDAA CC(C)CCn1nc2c3c1CC[C@@H](C3)NC(=O)CN(CCCO)C(=O)CCCN(C(=O)c1cncc(Cl)c1)CCNC2=O 2100533589 VVPAUOFWJUKVNZ-QHCPKHFHSA-N 616.163 1.828 0 50 KDAA CCCNC[C@]1(O)[C@H](C)O[C@H](O[C@@H]2[C@H](C)C(=O)O[C@H](CC)[C@](C)(O)[C@H](O)[C@H](C)NC[C@H](C)C[C@](C)(O)[C@H](O[C@@H]3O[C@H](C)C[C@H](N(C)C)[C@@H]3O)[C@@H]2C)C[C@]1(C)OC 247875715 GUARTUJKFNAVIK-ADLBOCKQSA-N 806.092 1.928 0 50 KDAA biogenic CC(C)[C@@H]1NC(=O)COc2ccc(cc2)C[C@@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)NC(=O)[C@H](C)NC(=O)[C@H]2CCCN2C1=O 952864085 ICUZWRLDAOFJGZ-AGAMXPQUSA-N 660.772 1.186 0 50 KDAA COCCCN1CC(=O)N[C@@H]2CN(C(=O)CCn3cnnn3)CC[C@@H]2OCc2cccc(c2)Oc2ccc(cc2OC)CCC1=O 1615708821 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CCCCCC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](O)C(=C1C)C2(C)C)[C@@H](O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)C[C@H]1OC[C@]13OC(C)=O 261493017 XGWGQEYABFGJID-UVDBIDMBSA-N 938.033 1.895 0 50 KDAA biogenic CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)C(=CC[C@@H]4[C@@H]3[C@H](O)[C@@H](O)[C@]3(C)[C@@H]([C@@H](C)O)CC[C@]43O)C2)O[C@H](C)[C@H]1O[C@H]1C[C@H](OC)[C@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]2O)[C@@H](C)O1 261493077 ITPJPPQJMRCTTO-MZBHQFIOSA-N 815.007 1.940 0 50 KDAA biogenic CSCC[C@@H]1NC(=O)[C@H](C(C)C)NC(=O)CN(C(=O)c2cnn(Cc3ccccc3)c2)C[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC1=O 1704317092 FGCDVUYRVINTFJ-VXVYPSLASA-N 675.856 1.998 0 50 KDAA COc1ccc2cc1OCCN(C(=O)c1cnccn1)CC(=O)N[C@H](C(C)C)C(=O)NCCn1ccnc1-2 1704317938 LHZGIWFOJDYJGI-HSZRJFAPSA-N 521.578 1.141 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3(N)CCCC3)C[C@@H]1NC2=O 1704324429 QBCKOHQLDSAQAQ-REWPJTCUSA-N 508.575 1.364 0 50 KDAA COCCCN1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772705194 RECYGVUOHCPRHS-FDJWOJMMSA-N 604.708 1.216 0 50 KDAA 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@@H]6OC[C@H](O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 1775953481 WCHBFWOEFOZHMK-VBSZBPECSA-N 766.966 1.926 0 50 KDAA CC(C)CCC(=O)N[C@H]1Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC(=O)[C@H](CO)NC1=O 1857699275 KJMGGAFXJGABLG-MZBJOSPHSA-N 619.723 1.272 0 50 KDAA COC(=O)[C@@H]1Oc2cc(ccc2OC)C(=O)N[C@@H](C(C)C)CN(C(=O)Cc2ccc(-n3nnnc3C)cc2)CC(=O)N[C@H]1C 2356162043 VCLFTOBRGMTYJC-OIIQBSKFSA-N 607.668 1.244 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@@H]1CCN(C(=O)CN3CCCN(C)CC3)C[C@@H]1NC2=O 2356162071 WIIIWIMZFNJDRU-LOSJGSFVSA-N 565.671 1.120 0 50 KDAA O=C1CN(CCCO)C(=O)CCc2ccc(cc2)Oc2cccc(c2)CO[C@H]2CCN(S(=O)(=O)N3CCOCC3)C[C@@H]2N1 952869877 OCWKGECMDYXBTL-NSOVKSMOSA-N 616.737 1.289 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)CN(C(=O)c3cnn[nH]3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704316366 NNVHNRQSQOYSKC-SODMUBEVSA-N 784.919 1.382 0 50 KDAA Cc1ccc2c(c1)OCCCn1cc(nn1)CN(C(=O)c1ccc(-c3nnn(C)n3)cc1)CCCNC(=O)[C@@H](C)NC2=O 1704323673 XVNFVHZMAFTGBK-HXUWFJFHSA-N 586.657 1.527 0 50 KDAA Cc1ncc(C(=O)N2CCNC(=O)[C@@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)c3coc(n3)[C@@H](Cc3ccccc3)NC(=O)c3cc(on3)C2)c(-c2ccccc2)n1 1857724395 BIGFRIYPSGRFGA-SFFJQBBNSA-N 749.785 1.898 0 50 KDAA Cc1cc(C)n(Cc2cccc(C(=O)N3CCNC(=O)[C@H]([C@@H](C)O)NC(=O)c4ccc(C)c(c4)OCCNC(=O)C3)c2)n1 1857740271 LHJJVIUZTNVRIX-DFHRPNOPSA-N 590.681 1.103 0 50 KDAA CN(c1ccc(C(=O)N2CCCCNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)c3cccc(n3)NCCNC(=O)C2)cc1)S(C)(=O)=O 1857741517 WMBKJSKSKFKXII-LJAQVGFWSA-N 688.811 1.880 0 50 KDAA CN(C[C@@H](O)Cc1ccccc1)C(=O)C(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1 1875329192 JFTLNTDOOFQBLT-NRFANRHFSA-N 509.994 1.597 0 50 KDAA CCOC(=O)[C@]1(Cc2cn([C@H]3CCCN(C(=O)[C@](C)(O)Cn4ccc(C)cc4=O)C3)nn2)CCCCO1 1875358491 XWXZPQDNPQCCSM-RMUDUWAUSA-N 515.611 1.408 0 50 KDAA COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C(C)=O)c4ccccc43)c(=O)n2[C@H]1c1ccc(OC)cc1 2058632 YTKXMAMDWDGVBY-AGGMBTAESA-N 503.536 1.680 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C)NC(=O)CCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC1=O 195966163 JLLVQPKAQVOYFS-KVOZXUITSA-N 758.921 1.124 0 50 KDAA biogenic O=C(COc1ccccc1-n1cnnc1)NCCNC(=O)c1nc(CCn2ccc3ccccc32)no1 888088442 ZSCPLKQDAPATSJ-UHFFFAOYSA-N 500.519 1.773 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)c2ccc(c(Cl)c2)OCCCn2cc(nn2)CCN(C(=O)c2nnc3n2CCCC3)CCNC1=O 952855838 GSEINQFXUUCINQ-LQCMOVKCSA-N 713.240 1.153 0 50 KDAA COc1cc2ccc1OCC(=O)N[C@@H](C)C(=O)N(C)CCCCN(C(=O)C1CCOCC1)CCCNC2=O 952859078 NVHYXQVHKQBXLV-IBGZPJMESA-N 532.638 1.206 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)c2cccc(c2)CNC(=O)c2cccc(c2)OCCn2cc(nn2)CNC1=O 1616091351 DSMMILZPZLQERQ-DFBJGRDBSA-N 561.643 1.566 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cc2ccc3c(c2)OCO3)CCN(C)C(=O)[C@@H](C)NC1=O 1704319620 YRGVSCWFXQUUQF-MHUSDNACSA-N 747.875 1.579 0 50 KDAA COc1ccc(CC(=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)cc1OC 1704323615 SDIWKEQJMXVOEP-VQZJWCCDSA-N 763.918 1.867 0 50 KDAA COc1ccc2cc1OCC(=O)NCCC[C@H](NC(=O)[C@@H]1CCCO1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(C)C)C(=O)NCCC2 1704318797 QRLJOLZMTJNDKT-WIQGVFEGSA-N 679.815 1.565 0 50 KDAA COc1ccc2cc1OCCCCN(C(=O)Cn1cc(C)c(O)nc1=O)CC(=O)NC[C@H]1C[C@H]2N2CCC[C@@H]12 1704322348 MSHHGFRPYSPRIE-BHIFYINESA-N 539.633 1.609 0 50 KDAA COc1ccccc1-n1cc(C(=O)N[C@H]2Cc3ccc(cc3)OCCNC(=O)C3(CC3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](C)NC2=O)cn1 1772704056 IIGFODVDQDJQMI-QZFRTWIZSA-N 707.788 1.612 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(Cc1cccnc1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772713397 JKYXDVQYWNMJCP-JBXWGSRRSA-N 631.782 1.439 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)c3ccc4c(=O)n(C)cnc4c3)C[C@@H]1NC(=O)CC2 1772713634 NOINXVHFITYCQL-WNJJXGMVSA-N 611.655 1.972 0 50 KDAA CC[C@@H](C)[C@@H](O)[C@@H](C[C@@H](C)CCCCC[C@@H](O)[C@@H](O)C[C@H](O)CN)[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O 141072739 JUDLIJIPXOXXNS-GHRNKIPWSA-N 521.648 1.294 0 50 KDAA CC[C@H](C)N1[C@H]2O[C@H]([C@@H]3O[C@H]4[C@@H](O3)N([C@H](C)CC)S(=O)(=O)N4[C@H](C)CC)O[C@H]2N([C@@H](C)CC)S1(=O)=O 245235576 LRTSTELZGUFNQB-WLIPBTDKSA-N 554.732 1.955 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3cn([C@H]4CC[C@@H](N)CC4)nn3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704319596 XMSUFQXASMLWBF-HWMWKUFOSA-N 695.866 1.089 0 50 KDAA COc1ccc2c(c1)OCCn1cc(nn1)COc1c(cccc1OC)CN1CCO[C@@H](CNC2=O)C1 1704340129 VISSCIQMJPJBQH-NRFANRHFSA-N 509.563 1.898 0 50 KDAA COCCn1ccnc1CN1CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)c2cc(on2)C1 1772714239 HBRBNGJKKHIFBR-DOUMQJFESA-N 670.771 1.223 0 50 KDAA C[C@@H]1NC(=O)[C@@H](NC(=O)c2ccc(N3CCCC3=O)cc2)Cc2ccc(cc2)OCCNC(=O)C2(CC2)NC(=O)[C@@H](Cc2ccccc2)NC1=O 1772817700 HQOZEPFBXULNLI-RJSONGRPSA-N 694.789 1.544 0 50 KDAA CCCc1cc(=O)n(-c2ccc(C(=O)N3C[C@H]4CNC(=O)[C@H](CC(C)C)NC(=O)CN(C)C(=O)[C@@H](Cc5ccccc5)NC(=O)[C@@H](C3)O4)cc2)[nH]1 1857740086 HIWWSNJZCWGFEG-YXOGWZJSSA-N 701.825 1.174 0 50 KDAA CC(C)C[C@H]1NC(=O)CN(S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)CCCOc2cccc(c2)-c2nccn2CCNC1=O 1940194683 FMRAHJXKQOOBAE-RUZDIDTESA-N 637.763 1.861 0 50 KDAA COc1ccc2cc1OCCCN(C(=O)Cn1ccnc1)CC(=O)N[C@H]1CN(C(=O)c3cccc(N(C)C)c3)C[C@H]21 2100534171 WXFOCLJANXUGJD-RPBOFIJWSA-N 560.655 1.993 0 50 KDAA COC(=O)[C@@H]1[C@H](O)[C@]2(O)c3c(OC)cc(O[C@@H]4O[C@H]([C@H](O)CO)CO[C@@H]4OC)cc3O[C@@]2(c2ccc(OC)cc2)[C@H]1c1ccccc1 257429885 GVKXFVCXBFGBCD-NEVFHOJXSA-N 654.665 1.573 0 50 KDAA COCCOc1cc2cc(c1)C(=O)NCCNC(=O)N[C@H]1CCN(C(=O)CSc3nnnn3C)C[C@@H]1OCc1cccc(c1)O2 952865754 RYCGIICPNBWEEU-DQEYMECFSA-N 640.723 1.349 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@@H](C)N(C(=O)c2ccc3ccccc3n2)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)CN(C)C1=O 1704322589 MNPZJTZIDHAWMS-RVBRUHEGSA-N 600.720 1.912 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)Cn2cnc3ccccc3c2=O)Cc2ccc(cc2)OCCNC(=O)Cn2nc(-c3ccccc3)nc2[C@H](C)NC1=O 1857697533 CEVIECMCSVCGAE-MYHCNICMSA-N 719.803 1.909 0 50 KDAA 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](NC)[C@H]2O)[C@@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O 257358382 TXOOBKBDBNRQCF-QIUFPZSKSA-N 719.910 1.443 0 50 KDAA Cc1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)OCC(=O)N[C@H](Cc3ccccc3)C(=O)N3CCC[C@@H]3C(=O)N[C@@H](C)C(=O)N2)o1 952861780 GYIBHJLYJFCPHT-KITINDFRSA-N 629.714 1.547 0 50 KDAA COCCC(=O)N1C[C@@H]2c3cccc(c3)OCC(=O)N[C@H](CC(C)C)C(=O)N(CCOC)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@H]2C1 1616112641 KDALUIYIEVXHIX-ITGKQZKFSA-N 679.815 1.260 0 50 KDAA COc1ccc2cc1OCC(=O)NCc1ccc(cc1)O[C@H]1CN(C(=O)C3CCOCC3)C[C@@H]1NC2=O 1704338897 JWGGRJIBRUDKRU-URXFXBBRSA-N 509.559 1.519 0 50 KDAA Cc1nc2n(n1)CC(=O)N[C@@H](CC(C)C)COc1ccc(cc1)C[C@H](NC(=O)Cn1cnnn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1857699161 PWTZCRJGXKTONC-MFPZELHZSA-N 713.844 1.465 0 50 KDAA CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](O)C(C)=C1C2(C)C 4102268 OVMSOCFBDVBLFW-VHLOTGQHSA-N 586.634 1.653 0 50 KDAA biogenic,in-vitro Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2C[C@H](O)COc1c(Br)cc(Br)cc1Br 5224562 QFWJUIWIXSMGBG-NSHDSACASA-N 638.111 1.987 0 50 KDAA COc1cc([C@@H]2c3cc4c(cc3[C@H](O[C@@H]3O[C@@H]5CO[C@H](C)O[C@@H]5[C@H](O)[C@@H]3O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O 242688175 VJJPUSNTGOMMGY-RKJOGRGTSA-N 588.562 1.339 0 50 KDAA biogenic NC(=O)CC[C@H](NC(=O)[C@H](Cc1ccccc1)n1c(O)nc2ccccc2c1=O)C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 247701865 ABBKSIZGWQRDPF-TZYAJKAJSA-N 577.638 1.643 0 50 KDAA biogenic COCCC(=O)N1C[C@@H]2NC(=O)CCc3ccc(c(OC)c3)OCC(=O)NCc3ccc(cc3)O[C@H]2C1 1772707636 WKVPQLSTAVQVGA-URXFXBBRSA-N 511.575 1.448 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](NC(=O)CC2CC(C)(C)NC(C)(C)C2)CCCNC(=O)CN(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC1=O 1704321572 AFLDEVKEISKTEE-PLTSLIBNSA-N 683.895 1.160 0 50 KDAA CC(C)(C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccc4c3CN([C@@H]3CCC(=O)NC3=O)C4=O)CC2)cc1 2325899420 CYCQCSZAXKIMKR-JOCHJYFZSA-N 588.708 1.440 0 50 KDAA O=C1CC[C@H](N2C(=O)c3cccc(NC(=O)CN4CCC(C(=O)c5ccc(O)cc5)CC4)c3C2=O)C(=O)N1 2325899888 COHMGITZXYMULV-FQEVSTJZSA-N 518.526 1.327 0 50 KDAA C[C@@H]1O[C@@H](O[C@H]2[C@H](O[C@@H]3[C@@H](O)[C@H](O)[C@@H](C(=O)O)O[C@H]3O[C@H]3CC[C@]4(C)[C@@H]5CC=C6[C@@H]7CC(C)(C)C[C@@H](O)[C@]7(C)CC[C@@]6(C)[C@]5(C)CC[C@H]4[C@@]3(C)CO)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 253389340 IBZLICPLPYSFNZ-ZCPMASOLSA-N 913.108 1.344 0 50 KDAA biogenic,in-vitro COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3ccccc3-n3cnnc3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704323050 SRYKLLKIEHNAMA-FQYQUSJJSA-N 674.803 1.636 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCN(Cc1ccccn1)CCCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772703571 GVCNSVQDAREJBT-JBXWGSRRSA-N 631.782 1.439 0 50 KDAA CCOC(=O)[C@@]1(CCCOC)CNC(=O)CN(C(=O)c2cccnc2)CCNC(=O)COc2cccc(c2)C1 1775983159 YWGFZTDEOQGVPA-MUUNZHRXSA-N 540.617 1.367 0 50 KDAA CCOCC(=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 1857712374 XEUYXGOUXOMYIQ-ZIUBFTGCSA-N 663.732 1.834 0 50 KDAA COc1cc2cc(c1)C(=O)N[C@H]1CN(C(=O)c3cncc(F)c3)C[C@@H]1Oc1ccc(c(OC)c1)CNC(=O)CO2 2356162543 MSHFZVUHQHVXKG-ZCYQVOJMSA-N 550.543 1.949 0 50 KDAA CC(=O)OC[C@]1(O)[C@@H](O)C[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]12 238780463 LUDMVJVLHCEECS-GMNXNUJQSA-N 558.621 1.379 0 50 KDAA biogenic CC(=O)O[C@H]1C[C@@H](OC(C)=O)[C@@]2(CO2)[C@H]2[C@@H](OC(C)=O)[C@]3(O)C[C@@H](OC(C)=O)C(C)=C([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@]12C)C3(C)C 256764295 LUTPIRPNUNHFEV-SONPXKAOSA-N 652.690 1.863 0 50 KDAA biogenic Cc1ccc2cc1OCCCn1cc(nn1)CCN(C(=O)CCCn1cnc3ccccc3c1=O)CCNC(=O)[C@H]([C@@H](C)O)NC2=O 952864327 FLNKBPOOCRIBOQ-DJUQAAIZSA-N 644.733 1.226 0 50 KDAA COc1cccc2c1OCCCn1cc(nn1)CCN(C(=O)C1CCN(C(C)=O)CC1)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 952864844 MLTYRDVILJNWOB-LJAQVGFWSA-N 645.761 1.856 0 50 KDAA CC(C)C[C@@H]1NC(=O)c2ncccc2OCCn2cc(nn2)CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)c2csc1n2 1704317225 GJHJWEQXZWVVPN-WFRMBSLRSA-N 689.799 1.562 0 50 KDAA CCOCC(=O)N1CCC(C(=O)N[C@H]2CCCNC(=O)COc3cc(ccc3OC)CCCNC(=O)[C@@H](C(C)C)NC(=O)[C@H](Cc3ccccc3)NC2=O)CC1 1704319470 WAKUAZAQEKHPKV-OGLWZABDSA-N 778.948 1.661 0 50 KDAA CC(C)[C@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)c2cccc3c2OCCO3)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC1=O 1704322993 RUSCYJBFQQTZFB-LMBLOSGASA-N 740.858 1.991 0 50 KDAA Cc1onc(-c2ccccc2)c1C(=O)N1CC(=O)N[C@H](CC(C)C)C(=O)N(C)[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]2CCO[C@H](C1)[C@H]2O 1704323032 NZOUNPVNPVOIAR-HYUGHZRUSA-N 716.836 1.846 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C(=O)c2ccccc2)C[C@H]2OCC[C@H](NC1=O)[C@@H]2O 1704343477 CHGFVTQVTHSQDU-MMAHVHHQSA-N 686.810 1.508 0 50 KDAA CC(C)c1cc(C(=O)N2CCC3(CC2)Oc2ccc(cc2)OCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)O)NC3=O)no1 1772713833 TVHCWRFTPZBAKH-OPGDGWBSSA-N 718.808 1.458 0 50 KDAA CC[C@H](C)[C@@H]1NC(=O)CCCN(Cc2cnc(N)nc2)CCCNC(=O)Cn2nc(Cc3ccc(OC)c(OC)c3)nc2[C@@H](C)NC1=O 1772714059 XUDNUCPXIFAPSV-ZQLNOWDWSA-N 664.812 1.769 0 50 KDAA Cc1cc(C)cc(CC(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C(=O)O)NC(=O)[C@@H]3C[C@@H](NC(=O)c4nn(C)c5ccccc45)CN3C2=O)c1 1857707061 XXDFIRDKVJSXPF-XAUNCYBDSA-N 673.771 1.267 0 50 KDAA COC(=O)[C@@H]1C[C@H](n2cc(Cn3cc(Cl)cn3)nn2)CN1C(=O)CCc1c(C)nc2cc(O)nn2c1C 2325842635 CZNZOPGUXBOGKK-HKUYNNGSSA-N 527.973 1.489 0 50 KDAA 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]6CC[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[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 254514831 YFGQJKBUXPKSAW-SMWBYOQESA-N 969.128 1.642 0 50 KDAA NC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc(CN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)cc(=O)c1O 409414149 PIFPRYWSQQGXMW-AYBZRNKSSA-N 505.527 1.862 0 50 KDAA biogenic Cc1nc[nH]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 1704323545 YDWJACLBADJKIK-WDDWZANVSA-N 746.895 1.778 0 50 KDAA CC(C)C[C@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc3c(c2)CCO3)CCCCNC(=O)[C@@H]2C[C@@H](O)CN2C1=O 1704341184 QUQIGOBDFPSCTL-RTTQOPKFSA-N 757.889 1.226 0 50 KDAA COc1ccc([C@@H](CC(=O)NCc2ccc(S(N)(=O)=O)cc2)c2c(O)n3ccccc3nc2=O)cc1 1776111392 SPSSVAJIOVPGPB-HXUWFJFHSA-N 508.556 1.895 0 50 KDAA O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1 59603408 BPPXHIQFVRAKGZ-QFIPXVFZSA-N 543.623 1.796 0 50 KDAA CC(=O)OC[C@@H]1O[C@@H](Sc2ccccc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1O[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 150663653 OJVHDCHVHOISBO-DCSQYQQWSA-N 728.722 1.398 0 50 KDAA CO[C@@H]1[C@@H](O[C@@H]2O[C@H](C)[C@H](O[C@@H]3C[C@@](C)(O)[C@H](O)[C@@H](C)O3)[C@H](N(C)C)[C@@H]2O)[C@@H](CCO)C[C@H](C)[C@@H](O)/C=C/C=C/C[C@H](C)OC(=O)C[C@H]1OC 252286713 CLLNLNUKYLQHCK-DCLBRAKCSA-N 717.894 1.293 0 50 KDAA COc1ccc2c(c1)OCCNC(=O)CN(C(=O)[C@@H]1CC(=O)N(c3ccccc3OC)C1)CCCNC2=O 1857706059 INYHJXFEPABVCT-GOSISDBHSA-N 524.574 1.214 0 50 KDAA O=C1CN(C(=O)c2n[nH]c3c2COCC3)CCCCNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2cccc(n2)NCCN1 1857741295 MIFHRFNKMSEXPD-SANMLTNESA-N 627.706 1.280 0 50 KDAA CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)C(=O)C(N)=O)C2(C)C)C(C)(C)C 14210455 LHHCSNFAOIFYRV-ZYNAIFEFSA-N 519.687 1.711 0 50 KDAA fda CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@H](C)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H]1O 100471263 SXOZSDJHGMAEGZ-AVKDFZSYSA-N 516.455 1.925 0 50 KDAA endogenous,in-man COCCN1CC(=O)N[C@H]2CN(CC(=O)N(C)C)C[C@@H]2OCc2cccc(c2)Oc2cc(ccc2OC)CCC1=O 952856281 WLKLYFLWTINOOK-IGKIAQTJSA-N 568.671 1.683 0 50 KDAA CCn1nc(C)c(C(=O)N2C[C@@H]3NC(=O)c4ccc(OC)c(c4)OCCn4cc(nn4)CO[C@H]3C2)c1C 952862567 BIEIHDYPHMNSLZ-UGKGYDQZSA-N 509.567 1.352 0 50 KDAA CN1CCNC(=O)C[C@@H]2CN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)C[C@@H]2n2cc(nn2)Cn2cccc(c2=O)C1=O 1616118559 QENFHAMKVVSKHW-VFNWGFHPSA-N 594.481 1.249 0 50 KDAA CCCC(=O)N1CC(=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](Cc2ccccc2)C1 1704336840 RYJBPZRETLECBQ-GMJUDRHUSA-N 628.815 1.380 0 50 KDAA CCOC(=O)[C@@]1(CCOC)CNC(=O)CCCN(C(=O)c2ccno2)CCCNC(=O)COc2ccc(cc2)C1 1775981164 PWQKGKLWXPIGKT-MUUNZHRXSA-N 558.632 1.741 0 50 KDAA Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)[C@@H](OC(=O)c2ccc(C(=O)c3ccccc3)cc2)[C@H]1O 8295154 AWJJLYZBWRIBCZ-UGTJMOTHSA-N 715.398 1.467 0 50 KDAA biogenic,in-vitro COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)Nc3c2c(=O)[nH]c(=O)n3-c2ccccc2)cc(OC)c1OC 100934654 FXNXTNSJQPJGIN-QFIPXVFZSA-N 520.420 1.691 0 50 KDAA CCO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@@H]12)c1nsc(NP(=O)(O)O)n1 161432008 ZCCUWMICIWSJIX-UJQKBMKQSA-O 685.708 1.220 0 50 KDAA CCOc1cc2cc(c1)C(=O)N(C)CC(=O)N[C@H]1CN(C(=O)Cn3cc(C)c(O)nc3=O)CC[C@H]1OCc1cccc(c1)O2 952861867 CPZMFOZPUGETCV-IZZNHLLZSA-N 605.648 1.836 0 50 KDAA CSCC[C@@H]1NC(=O)C[C@@H](c2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2C[C@H](NC(=O)c3cnn(C(C)C)c3)CN2C(=O)[C@H](C(C)C)NC1=O 952862633 CEWKIZCENBWZKT-JSDGYEMZSA-N 696.875 1.308 0 50 KDAA COc1cc2cc(c1)C(=O)NCCCC(=O)N[C@H]1CN(C(=O)c3cc(=O)n(C)c(=O)n3C)CC[C@@H]1OCc1cccc(c1)O2 952865522 ZKINCOWAVNESBO-AHWVRZQESA-N 605.648 1.325 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccn2)CCN(C)C(=O)[C@@H](C)NC1=O 1704322209 KUFWZCXOYDCYJB-XZQSQWLPSA-N 676.844 1.676 0 50 KDAA COc1ccc(C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)CN(C(=O)c3csc(N)n3)C[C@H](C(C)C)NC(=O)[C@@H](C)NC2=O)cc1 1704327407 SKVZXKXUPMJDSI-HGSOSGBHSA-N 629.784 1.094 0 50 KDAA Cc1nc2n(n1)CC(=O)NCCCN(C(=O)c1cccc(S(C)(=O)=O)c1)CCCC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]2C(C)C 1772701647 GKTYLHGZENDNFE-OFSOJUDTSA-N 665.817 1.973 0 50 KDAA COc1ccc2cc1OCCCNC(=O)[C@@H](CC(C)C)NC(=O)CCNC(=O)[C@H](Cc1ccccc1)NC2=O 1775983579 ZXYNNNTULRXDMI-PKTZIBPZSA-N 538.645 1.972 0 50 KDAA COCCC[C@]1(C(=O)NCCN2CCN(C)C2=O)CNC(=O)c2c3ccccc3nn2CCNC(=O)COc2cccc(c2)C1 1857688943 SDMJCBFWMWWVPQ-JGCGQSQUSA-N 619.723 1.414 0 50 KDAA CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccc(cc2)CN(C(=O)[C@@H](C)O)CCCCNC(=O)[C@@H](C)NC1=O 1704309040 WPCKHOGAJVXQRI-SFUJYVBYSA-N 607.752 1.683 0 50 KDAA CC(C)[C@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CCCNC1=O 1704321388 LVGFFSWGYFYZBW-VTTCDHFQSA-N 655.818 1.134 0 50 KDAA CC(C)[C@@H]1NC(=O)[C@H](C)NC(=O)c2csc(n2)[C@H](Cc2ccccc2)NC(=O)CN(C(=O)Cn2c(=O)oc3ccccc32)CCN(C)C(=O)[C@@H](C)NC1=O 1704323552 YHDHFMCKKOGKAJ-MBRDBYLNSA-N 760.874 1.216 0 50 KDAA C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)C2(CCN(C(=O)Cn3cnc4ccccc4c3=O)CC2)Oc2ccc(cc2)OCCNC1=O 1772701572 OCMUGYJFLWNEDV-ZDQHWEPJSA-N 737.814 1.082 0 50 KDAA COc1ccccc1-c1noc(CCC(=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)n1 1857711010 WZDGNAPLJWUXIM-SQCBCDKRSA-N 703.797 1.120 0 50 KDAA COc1ccc([C@@H]2CN3C[C@H]2NC(=O)[C@]2(CCCNC2)COCC=CCN(C)S(=O)(=O)c2cccc(c2)C3=O)cc1 2325894040 PWGJUSGPXCCCOL-DURBRWELSA-N 582.723 1.996 0 50 KDAA CCOC(=O)C1=C(N)n2c(s/c(=C/c3ccc4c(c3)OCO4)c2=O)=C(C(=O)OCC)[C@H]1c1ccc2c(c1)OCO2 29749347 NPCIKBAIXSRSGB-FSBBIFGZSA-N 564.572 1.398 0 50 KDAA O=S(=O)(c1cccc2nsnc12)N1CCN(CCN2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1 100133173 FEQVZBKXUBZCQZ-UHFFFAOYSA-N 594.770 1.009 0 50 KDAA CCSCCC(=O)N1CCC2(CC1)Cc1cn(nn1)CCCNC(=O)[C@H](Cc1ccccc1)NC2=O 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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]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H]4C2(C)C)OC[C@@H](O)[C@H]1OC(C)=O 1775966553 KXHCYYSIAXMSPA-TYTCHSLGSA-N 869.055 1.866 0 50 KDAA