smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cccc(Cl)c3n2C)c(C(=O)Nc2ccccc2)c2cccc(Cl)c21 26170172 XXZKVHUDQGDVAB-UHFFFAOYSA-N 631.610 9.281 50 1 KKGF CCCC(=O)O[C@]1(C(=O)SCCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 27198002 HPDBSRZMXKYNAV-SOMXGXJRSA-N 513.071 5.141 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 43641150 HVQCHMISIPQSDU-YHELWEJBSA-N 557.873 6.064 50 1 KKGF CNCC[C@@]1(O)CC/C(=C(\C)C=O)[C@H](CCCO)[C@@]12CC[C@@H](/C(=C\C=C\C(CCC=C(C)C)=C1CCCCC1)CO)[C@H]2O 85544545 OMLRLZNYCQVLPV-LGRUJMEWSA-N 597.881 6.264 50 1 KKGF biogenic,in-vitro CCCC[C@@H]1[C@@H](OC(C)=O)CC(=O)C[C@@H](c2cc(O)c(Oc3cccc(O)c3)c(OC)c2)CSSC[C@H]1C1=C[CH+]N=C1 85624552 RTRFPKRIELNBJS-PBNCGBIJSA-O 612.790 7.253 50 1 KKGF biogenic,in-vitro COc1ccccc1[P+](Cc1ccc(Cc2ccc(C[P+](c3ccccc3OC)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1OC)c1ccccc1OC 195521952 OEQKVFMBDFMEHJ-UHFFFAOYSA-N 899.017 10.317 50 1 KKGF CCOP(=O)(OCC)O[C@@H]1C[C@H](n2cnc3c(N(CC)CC)ncnc32)O[C@H]1CO[Si](C)(C)C(C)(C)C 195769280 ABAHDYXYXVVXMY-HSALFYBXSA-N 557.705 5.548 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299881221 NPKIGTFHXVQKJH-OQIFVFHTSA-N 703.021 8.567 50 1 KKGF CC(C)(C)OC(=O)N1CCC([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587319685 COZGWVNQAYSHGQ-ATIYNZHBSA-N 534.422 5.671 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332153 JESBPVVIONYLPG-YTCRUBHPSA-N 534.990 6.428 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 587333397 VONFWWHHRAAISU-SIKLNZKXSA-N 529.255 6.218 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)cc1I)CC2=O 587472791 VDTZSVVNXUUCSE-IBGZPJMESA-N 580.054 5.967 50 1 KKGF CCCNc1cc(OCC)c(Br)cc1-n1c(O)ccc1O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 587936991 OLIFCNAPNVYTGF-OSSUEORLSA-N 621.569 6.753 50 1 KKGF COc1ccc2c(c1)[C@]1([C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H]3OC(C)(C)O[C@@H]31)N(C(C)C)CC2 962089503 KFJVVNXSINOFFP-BJGHAWMQSA-N 601.860 5.610 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1)c1ccccc1 962704106 IMVLKDBDJARHFA-XLJNKUFUSA-N 519.670 6.319 50 1 KKGF CC(C)C[C@]1([C@H](Br)[C@@H](Br)c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962706831 OTTPMAVVEBOJHA-JNSABCDYSA-N 555.395 7.330 50 1 KKGF CC1(C)CC2=C([C@H](c3c[nH]c4ccccc34)C(C#N)=C(N)O2)[C@@]2(C1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962770834 UBIGSAOLFRZWAP-VTYUZOFQSA-N 532.566 5.591 50 1 KKGF C[C@]1(c2cccc(NC(=O)CBr)c2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963077715 PFVIOSSATUZNCS-STBUXKTCSA-N 811.622 8.240 50 1 KKGF COc1ccc2c(c1OC)[C@]1(C(=O)N(CCCl)c3cc(Br)ccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963727360 CCQPLNLOLZTKIJ-SSEXGKCCSA-N 622.903 5.044 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939502 XVTFSAZIVRCTNF-WIAUYGQPSA-N 707.359 5.657 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356292705 VIDPGJPDNJGQAX-RCNTWFQTSA-N 877.231 7.780 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@H]2C[C@@H]3C[C@H](Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@H]3SSC4)C2)C1 2356350724 IUVWLTGWZVUROF-HCEWESADSA-N 561.901 8.956 50 1 KKGF C[C@@]12CCSSC[C@@]34CC[C@@H](CC#Cc5ccccc5C[C@@H]3CNC(=N)N4)C3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356351811 GICOMDMIKUTMSE-IHFOTIFRSA-N 633.924 5.331 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)NC(=N)NC[C@H]3Cc1ccccc1 2356404849 YUXJHICQCMVDPA-AVNWHCMASA-N 635.940 5.762 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356405063 FUWGTKDNYPIOQU-UXIOQTSLSA-N 759.085 6.340 50 1 KKGF CC(C=O)=CCCC(C)=CCCC(C)=C[C@H](O)CC=C(C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)CC[C@@]1(C)O 2356521424 XGRHDCURGCZZNS-NEMKCCCYSA-N 606.841 5.074 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@H]4[C@H]2O)O3)cc(OC)c1O 2356529523 JLBJMKHHDLHGGX-LHZGTWRWSA-N 696.884 6.422 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)CN[C@@H](C)CCOC 2356575545 RPAPKNHASJOCJU-ZRSCJRQYSA-N 735.063 6.556 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@H]([C@@](C)(O)C1CCCCC1)C4 2356616513 ZOMPPAORLVCEBS-NHWHEVOGSA-N 739.862 5.927 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@H]12 2356725556 OTKPVUYWKFTWPI-DECVGMRZSA-N 692.978 9.298 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@@](C)(O)C1CCCC1)C4 2356767849 HPWOCVSXSRYEIG-LCQCHQCASA-N 725.835 5.537 50 1 KKGF CN1CC[C@@]23Cc4ccc(Br)cc4N=C2N(C)C[C@H](Cl)[C@]32C1=Nc1cc(Br)ccc12 2356820444 FKYDRUSZQJYVQJ-WWPVKYPJSA-N 548.710 5.654 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356823613 GFUXVTNHSPSFTC-NSBVNTJNSA-N 816.079 5.959 50 1 KKGF CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@@]3(COOC)C[C@H]4C[C@H](CC)[C@H]3N(CC5)[C@@H]4O)C[C@H]1[C@@H]2C(=O)OC 2356855801 RTIJTVZCINEJBO-QHTPAVPESA-N 724.943 6.292 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356868630 XDXKFQWRJIZVHL-FKIPYLPQSA-N 741.976 6.748 50 1 KKGF CN(C(=O)c1c(SSc2c(C(=O)N(C)c3ccccc3)c3ccccc3n2C)n(C)c2ccccc12)c1ccccc1 27724300 TVCIQZVHRQGTLE-UHFFFAOYSA-N 590.774 8.023 50 1 KKGF O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCCCCCNC(=S)Nc3cccc(N=C=S)c3)CC2)c2ccccc21 27983894 UKSAODFPXKRIDP-UHFFFAOYSA-N 684.936 6.771 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(C[S@](=O)c2ccccc2)=N1 84495570 QKPQQPSQHYVMAX-DXJMOORESA-N 557.638 6.121 50 1 KKGF CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OCCCO)C1 85596898 YJBBPGALPKXWRV-NDBUCLLOSA-N 841.150 7.047 50 1 KKGF biogenic,in-vitro CCO[C@@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@]23[C@@H]2C[C@H]1C(=O)[C@]3(C/C=C(/C)C=O)OC2(C)C)OC(C)(C)C=C4 100774152 IKFKEJSONUWRCD-PMQNNMERSA-N 590.713 5.722 50 1 KKGF endogenous,in-man Cc1cc(C)cc(C(=O)N(N(SOc2ccc(Cl)cc2)C(=O)c2ccc3c(c2C)O[C@@H](C)C3)C(C)(C)C)c1 103293500 QGBIACSATQSWOS-FQEVSTJZSA-N 553.124 7.529 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)[C@@H]2CC[C@@H](CO)[C@H]4C2)cc(Cc2cccc(O)c2)c1O 150343716 FIMRPGAEKKFWPX-BTIIEEGMSA-N 901.112 10.052 50 1 KKGF biogenic,in-vitro CCN(CCCCC/C=N\c1cc(O)c(NCCCNC(=O)CCCC[C@H]2CCSS2)cc1O)Cc1ccccc1OC 169722283 MMTJBGZQEXUURN-VYNOSQOZSA-N 630.921 7.524 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@](Cc1ccccc1)(O[Si](C)(C)C(C)(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1O[Si](C)(C)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C 195304789 SEUUHWOISBBTHV-HGHVATJYSA-N 938.210 10.641 50 1 KKGF CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)NC4CCCCC4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195443874 RRXZVSGGXWAHDB-VBHAUSMQSA-N 677.996 6.315 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cccs2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253634869 VHUICZOJPGXDGF-MMMVXHMGSA-N 579.542 5.909 50 1 KKGF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587026805 JFRONPAWTQLWIB-UHFFFAOYSA-N 500.312 7.599 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 587673343 MDZPMXHFHKDTLL-CODPPIHVSA-N 579.392 7.223 50 1 KKGF CCOC(=O)/C(=C(\C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689889 XOSJWAGGYXLAGL-YZXISXCQSA-N 539.873 5.904 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 587715436 BVMGAANPBUIABJ-ZLOXQWCVSA-N 545.802 6.911 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 587730433 FUVNSZCEHLLXGW-JDLFYZPXSA-N 520.849 6.116 50 1 KKGF C[C@@H](Br)[C@]1(c2ccccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717782 VLHWNKZIXNSJHV-CQIWBYTESA-N 692.576 6.969 50 1 KKGF CCOC(=O)[C@]1(CCCCCCCl)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963807624 KPRSCMHATJBJLG-PMERELPUSA-N 555.071 5.400 50 1 KKGF CCc1cccc2c([C@@]3(CCl)c4ccccc4C[C@@H](C(=O)NC)N3C(=O)[C@H](CC(C)C)[C@H](CSc3cccs3)C(=O)NO)c[nH]c12 963939004 RUPLMSRNSJXMJY-STBQYJNVSA-N 681.324 6.350 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)([C@H]2CCCN2C(=O)OC(C)(C)C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939496 XVTFSAZIVRCTNF-IGLMYFEESA-N 707.359 5.657 50 1 KKGF C[C@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857613871 IYOMWJOPDZCBRL-INIZCTEOSA-N 539.482 8.483 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]3C 2356372185 ZQGOYEJYAYJFTL-XXKUAMMTSA-N 885.203 13.143 50 1 KKGF CN[C@@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1cccc(CO)c1 2356443982 GCYFHEDPPVNSBY-NMWRMFLRSA-N 673.897 8.240 50 1 KKGF CC(C)=CCC1=C2O[C@H](C(C)(C)OO)CC[C@]3(C)[C@@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C 2356481921 AYHYQFKEDXRTML-NGTHRQLUSA-N 568.795 8.133 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356510139 OLWURSRHTREDBX-KEWLUYAWSA-N 926.248 7.328 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356539847 CAXXESPPODFQSZ-LRPRJCCMSA-N 905.274 8.162 50 1 KKGF CC[C@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)C[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356573793 AMYSIWTVVYSJPA-WIPUSDOASA-N 629.319 5.261 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1C[C@H]4CC[C@@H]6CCC[C@@]6(C4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356608495 QVTMLECYCPWKIE-HSQJQSQUSA-N 869.291 9.677 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356745406 XDSXTKQXTGZPCP-HQRGSEEJSA-N 741.026 5.417 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C6CCCC6)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356822060 FRTOYPMUODMWEO-WVZWBPOESA-N 810.135 8.930 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356823279 GKQYISHVHHQLHR-OYVYTLMRSA-N 799.117 5.965 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 29228698 IQJNZFHQWYDTBC-LLVKDONJSA-N 581.931 5.169 50 1 KKGF CCO[P@@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=N/NC(=O)c3ccncc3)cc(OC)c2O)c1 49881490 KYYNIRXCWOFUMS-SGHMCULOSA-N 529.461 5.111 50 1 KKGF CCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCC)c(C)c2C)nc2ccccc21 95559859 ZTPAEZJORJXHAK-UHFFFAOYSA-N 656.901 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C=C1CC[C@H](Br)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 85551878 PVEFIGXLPBGZAX-RVRKADHMSA-N 560.312 6.146 50 1 KKGF O=C1c2ccccc2C(=O)c2c(NCCN[P@]34=NP(NCCCl)(NCCCl)=N[P@@](NCCCl)(=N3)OCCOCCOCCOCCO4)cccc21 95606772 YFWLZJMSNJAZQQ-TZTPEXNXSA-N 828.012 5.898 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)NCc3cccc(CNC(=O)CCSSCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169362018 LJCXQDHWKUEUIA-VAMXPKELSA-N 834.140 5.173 50 1 KKGF COC(=O)CCCCCCC[C@H](O[Si](C)(C)C)[C@@H](CCCCCCCCO[Si](C)(C)C)O[Si](C)(C)C 195810460 AXYGYRFFYLDNRN-SXOMAYOGSA-N 563.057 8.913 50 1 KKGF CCOC(=O)[C@H](CSSC[C@H](NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC)NC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 195987030 VOFWZGSAAOBJBK-KYJUHHDHSA-N 761.060 7.692 50 1 KKGF O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299823245 DONNNCWYMRHMFB-UHFFFAOYSA-N 536.057 5.896 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 587325196 CQMKDAGMDNFQRJ-DGPALRBDSA-N 504.001 6.686 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 587506678 LIWFWDQFMDTXJT-XWHXNYADSA-N 697.240 6.360 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2scc(Br)c2Br)N1 587845366 QNJSUDQUGPBZEE-KWKYVRJSSA-N 532.498 6.191 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)CCl)n2)cc1 587897650 NKQWQCXWJAPVIJ-JOCHJYFZSA-N 576.933 5.578 50 1 KKGF COc1ccc(C(=O)[C@@H](Cl)[C@@]2(c3ccc(OC)cc3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962409860 XIMIEXMXZMEYOA-HHLHVKDFSA-N 689.164 7.093 50 1 KKGF COc1cc2c(cc1OC)[C@@](CSC(=Nc1ccccc1)NNC(=O)CN1c3ccccc3Sc3ccccc31)(c1ccc(Cl)cc1)N(C)[C@H](C)C2 962625697 JTMWCXDUNQUFRW-KWAZPYRMSA-N 750.390 8.822 50 1 KKGF FC(F)(F)c1cccc2c1[C@@](CCCBr)(c1ccc(Cl)cc1)NCC21CCOCC1 962948569 AXFNMNKSEGYPCM-JOCHJYFZSA-N 502.802 6.429 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cc(F)cc(F)c2Br)N1C(=O)c1ccc(Cl)cc1 963019712 YOJNVQSWWITHLC-RLWLMLJZSA-N 638.690 6.652 50 1 KKGF C[C@@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963069263 SORBZOGNIWLCKS-LZSLTWNJSA-N 598.140 6.021 50 1 KKGF CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963100032 TWTZAIOOLVMYJW-NMKGKPKSSA-N 778.394 5.408 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963168106 FXAGOSUFQLAJPZ-UGIARPQZSA-N 612.826 5.865 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc2ccccc12)c1cn(CC[C@H](Cl)CC)c2ccccc12 963237726 ZFCQQHYSMULKRK-UDUUFVARSA-N 535.175 9.151 50 1 KKGF O=C(/C=C/c1ccc(O)c(O)c1)NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1772607275 IQGNNXUESVCSNZ-UHFFFAOYSA-O 552.675 6.562 50 1 KKGF Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3c2cccc3P(=O)(c2ccccc2)c2ccccc2)cc1 1857586075 ISZGEZDNEANNDW-ZWXJPIIXSA-N 517.584 7.462 50 1 KKGF COc1ccc(N2C(=O)c3ccccc3[C@@H](C=NNC(=O)c3sc4ccccc4c3Cl)C2=O)cc1OC 1857609363 BGXOVHXECPYLJO-LJQANCHMSA-N 533.993 5.258 50 1 KKGF COc1cccc(/C(=N/NC(=O)[C@H](NC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ccc(Cl)cc2)c2ccccc2)c1 1857636153 XUDGJDSUXFXYSD-KABMBIIISA-N 679.221 7.095 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C)CSSCNC3=CC(=CCN3)C2)CCCC1 2356832059 JTDNTVMMGBUUSA-CQUVXLKTSA-N 658.930 7.987 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356857980 SOOYABWXBOMBNS-NJLJEXEUSA-N 525.473 5.676 50 1 KKGF COc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(OC)c2)c1 26666302 NXUPCXPSGPIION-UHFFFAOYSA-N 590.944 6.265 50 1 KKGF O=C(Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)NC(c1ccccc1)c1ccccc1 27632070 QIKCDIMXOJUYLM-UHFFFAOYSA-N 527.802 6.131 50 1 KKGF C=C(c1ccc(OCCOc2ccc(C(=C)[C@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 44387130 KGMZPHIRNGUERY-LOYHVIPDSA-N 550.648 6.405 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H](C)[C@@H]5CCOC[C@@]5(CCCO)CSSCO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 85511192 FAASLSIQZYQJSZ-DEGQXFJOSA-N 816.988 5.211 50 1 KKGF biogenic,in-vitro C[C@H]1CC=C[C@]2(C1)C[C@]1(CC[C@@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@H](C)CSSC[C@H](C3)C[C@@H]12 85543424 WWLDPNJTPFHBHX-JDFKCCLUSA-N 724.177 12.325 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC2=C3CSS[C@@H]4C[C@H](C#CC2)[C@H](NC)[C@@H]2CN(C(=O)Cc5cnc(N)cc5[C@@H]3[C@]13Cc1cc5ccc(=O)oc5cc1O3)[C@@H]24 85594568 IRHOMWWFQCEXGY-CXAXKXNSSA-N 750.943 5.344 50 1 KKGF biogenic,in-vitro O=C(C[C@@H]1CSC(N2N=C(c3ccccc3)C[C@H]2c2c(F)cccc2F)=N1)N/N=C/c1ccc(Br)cc1 98082046 DXXMFBFMHFIRMH-ZDLFQAADSA-N 582.474 5.890 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)N[C@H]3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4Cl)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312593 RKVLRJICKJQWIM-BKDPKSMCSA-N 732.202 5.053 50 1 KKGF C[C@H]1CC[C@H]2[C@H](CSCCCCSC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169373030 KMZJLUPIQIDZHL-GKEMRUPBSA-N 682.898 6.010 50 1 KKGF COC(=O)[C@H]1NC(=O)[C@@H](c2ccc(OC)c(Br)c2)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cc(O)c(OC)c(c2)Oc2ccc(cc2[N+](=O)[O-])[C@H]1O[Si](C)(C)C(C)(C)C 195302472 SXIZVFBXUPCACI-FEFKUCBWSA-N 889.826 7.030 50 1 KKGF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587158623 QIDAUXFSWOSSDT-UHFFFAOYSA-N 521.280 8.268 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587257887 SRFVSTDDHALHBJ-WTEZFPHBSA-N 982.898 8.973 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@]1(OC(=O)CC)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C)CC2=O 587464820 ALIQJYPTAPGBDW-NVLQAXCPSA-N 643.192 6.596 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 587688600 MLEYEMFBKXOSDQ-ODCWNRFASA-N 524.305 6.919 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 587714835 BSMMDJZGNXYPSD-WNWIJWBNSA-N 500.008 6.207 50 1 KKGF CCc1cccc2c([C@@]3([C@@H](Cl)c4ccccc4)NC4(CC4)Cc4ccc(Br)cc43)c[nH]c12 961314853 AXUCMVPVXHDQLZ-XCZPVHLTSA-N 505.887 7.395 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CBr)(c2c([N+](=O)[O-])cccc2C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963027986 BBKBOQVYVLXOEF-DICHSLLOSA-N 717.441 7.791 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCl)(c2ccc(NC(=O)C(C)C)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963352628 MRNUQPBFWRAFIL-DYKQPOOOSA-N 639.148 6.818 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@]2(CCCCCl)c2ccccc2Cl)c1 963580744 MCIBTAWLGAZCTC-PMERELPUSA-N 600.468 7.664 50 1 KKGF CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](C(C)=C[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@H]2OC 1857578471 KASDHRXLYQOAKZ-JIGQMUTBSA-N 810.466 5.719 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 1857578705 QDLRLYPWXMVZLU-WWULFLFHSA-N 577.501 5.830 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1[C@H]1C(C#N)=C(N)N(Nc2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 1911582931 NBWKASPYANTBHS-SSEXGKCCSA-N 609.105 7.529 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356359311 HXMYCSKLWXBQRV-JSTXCWKNSA-N 783.154 7.457 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@@H](O)CC2CCCCC2)CC[C@@H]1CCN 2356389016 CQMZXTAALLNZIA-APXMMOFCSA-N 712.075 8.202 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@H]2CCC[C@@H](O)C2)Cc2cccc(c2)C1 2356514503 HLEZDKCXSQGEJG-YOSYIPRXSA-N 915.266 5.880 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@H](C2CCCCC2)Cc2cccc(c2)C1 2356563912 DUEACDWPNQVCIJ-NTWXMTRLSA-N 743.086 7.103 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSS[C@H](CO)c4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356594822 JAPBOHAHFOGQSA-QTNNSCEXSA-N 772.137 5.834 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356694110 WAHQSNSYGMSFJO-UDGNZPKFSA-N 767.155 8.484 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c1O 2356737573 FBXJFSXQWQKROH-ASWWNUQQSA-N 738.965 8.227 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@]1(C)[C@H](Br)CCC(=CI)[C@@H]1Cc1cc(I)cc(Br)c1O 2356798958 TUNPYABDHNSBNC-FRHBMVIGSA-N 980.965 11.099 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@@H]1Cc1cc(Br)cc(I)c1O 2356803316 WXXULYIEJCRYJU-WBRBGNPTSA-N 980.965 11.099 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCNC(=O)CCCNC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)[C@H]3[C@@H]1CC[C@@H]2O 27213024 DYCJGBLVRDSCIY-ZOLDDSHWSA-N 742.873 8.105 50 1 KKGF C[C@]12C[C@H](c3ccc(OCCCCCNC(=O)CBr)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 27713940 SDWAJJSHCTYQLF-DILLNPACSA-N 570.568 6.063 50 1 KKGF ClCCN(CCCl)CCCCOc1ccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)cc1 49639437 ZZMNIWBLDNPBBV-UHFFFAOYSA-N 666.521 8.229 50 1 KKGF CCCCCCCN(C(=O)c1ccc(CCl)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 49679795 PVDZFHXZJHNJDZ-OIYQXIOLSA-N 555.247 8.070 50 1 KKGF C=C(c1ccc(-c2ccccc2)cc1)[C@@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 49878215 JDXKRKYSUPFHSI-VJPAEBCTSA-N 509.568 7.874 50 1 KKGF CC(=O)OC(C)(C)CCC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C[C@H](Br)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C 84616865 AAJCSYWODCRMMN-NRNCYQGDSA-N 623.625 5.126 50 1 KKGF CC[C@H]1CC[C@]2(C3=C[CH+]N=C3)CSSC[C@@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@@H]2C1 85624571 VJQZFKKQUOYSMS-JQLNUCGTSA-O 530.732 6.146 50 1 KKGF biogenic,in-vitro N#CSc1ccc2nc(NC(=O)CSc3nnc(-c4cccnc4SCc4ccccc4)o3)sc2c1 95591456 SMZOQQZCWGQLIT-UHFFFAOYSA-N 548.700 6.338 50 1 KKGF COc1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1OC 98084914 APRFGTXUHHGVIV-SJPKNMRQSA-N 563.630 5.145 50 1 KKGF COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@]23[C@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 102934119 VNDOCQLTUJVVEX-PCVXUWGPSA-N 551.455 6.294 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCCCCCBr)CC[C@H]1C 103200052 GOCJVOGGQZZWGZ-JMBNEQOHSA-N 619.769 9.503 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)c2ccc(CO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 150598724 CVHGDJACUJUWGU-QBWGXPSGSA-N 659.824 6.979 50 1 KKGF CCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372816 ZYVYKCLKFGRXRO-OMDKUMSASA-N 604.737 5.714 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)[C@H]4CCCCN4)[C@@H]3CC[C@@H]2C1 254092488 JEJIRIPSVOBZDX-BTKXQXFFSA-N 517.915 7.929 50 1 KKGF CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 299818758 AMNZUXUQHWWDLT-HPGBDJQBSA-N 554.643 6.442 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190181 JIBLMXXNSXRJAB-UATTUGJOSA-N 605.776 6.293 50 1 KKGF COc1cc(Cl)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587319568 CDGOVOZZNKLYPT-LADGPHEKSA-N 521.766 5.851 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(Br)c2Cl)[C@H]1c1ccc(F)cc1 587328201 BKXFWKMKFPPOCX-AVRDEDQJSA-N 558.600 6.736 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@@]21CC(=O)c2ccc(O)c(CCC)c2O1 587459668 OSEGCYUOICZAPN-XRKRLSELSA-N 513.516 7.818 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)CC2=O 587470418 MUUXNLJPJVDNKR-XDFJSJKPSA-N 506.602 5.881 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1ccccc1 587687794 IAMRATOOSPEVRK-LFPIHBKWSA-N 504.831 5.407 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587845494 AZJXJFUSAHEGGD-JPQMRUPTSA-N 560.491 7.204 50 1 KKGF CCCCCCCCSC(=S)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCCCCCCC)CC2)CC1 653715475 RYAQIHDLIWLDCA-UHFFFAOYSA-N 699.272 8.930 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(CC(C)(C)CC3=C2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)N1 963167598 AMPSHQDCELTVLU-BCUZBQPKSA-N 748.327 8.397 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946079 AYSJALCRCKKUCQ-ZALJPVERSA-N 744.940 5.205 50 1 KKGF CCSc1cccc(C(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)[C@H](OC(=O)c6cccc(SCC)c6)C[C@@H]([C@H]2C)[C@]53OO4)c1 1772585580 YTJFQFVELUOIKM-GLULILIVSA-N 628.809 7.111 50 1 KKGF CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)C1=CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]3CC[C@]12C 1772588568 DSCWDONZDNDREU-HBGBDEGDSA-N 545.646 9.201 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857549001 NZCFQUCVSQRAPQ-OMJVMDRHSA-N 627.466 5.311 50 1 KKGF CC1=CC(=O)C=CC1=C(O)OCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccn1 1857571440 LEEBQFUGRZFPSF-UHFFFAOYSA-O 610.799 8.928 50 1 KKGF C[C@@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857601106 ORWRBNYDYYFBET-MRXNPFEDSA-N 533.359 7.150 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)CSSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356301323 VJVZGOPPRWGPOC-CYMCJTRISA-N 866.159 9.321 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356361336 ZFEXRCZSJKGYJH-KRSKEIBOSA-N 924.320 8.023 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)CC[C@]12O)C[C@@]3(C)O)CCC=C(C)C 2356362632 DHUQOBXHRXABQQ-FCJZSPQISA-N 536.753 5.526 50 1 KKGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@H](NC(=N)N)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356371386 YQLXRZZYHNALCQ-VPEZGMRCSA-N 505.794 5.427 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCCO)c1cc(CO)c3c4c1C[C@H](CO)C[C@@H]4CC[C@@H](C(C)=O)N3)CC(=O)CC2 2356393435 KATZATUJIVNKMN-IKISKGNBSA-N 929.211 7.983 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3ccccc3)[C@H](CC=CCCC3CCCCC3)C2)[C@@H]1CC(=O)O 2356718482 XMIDDVAVRMYXNM-XVQVLMEOSA-N 646.019 10.154 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]5O 2356773357 XUPVQRVRJUAAFD-GOQMLEOKSA-N 924.276 6.706 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@H](CN8C(=O)C=CC8=O)C3=C5C(=O)O6)N7)[C@H]42)CCCC1 2356813454 CHBSJNZVPZQNBT-DHLASIJDSA-N 991.330 8.302 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CN[C@H](O)[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356865819 VLIIGAMMWJIJSU-MEHLRBBASA-N 983.175 6.072 50 1 KKGF O=C1[C@@H](Cl)[C@@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009698 ATBZTJLBWDORJQ-NCXNDVEFSA-N 551.049 5.173 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 27768308 IREWFSHSPSQGJH-DURBRWELSA-N 590.746 5.445 50 1 KKGF CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873634 WXVOOACDWVNOJY-IZZNHLLZSA-N 670.420 6.187 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)Oc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1)OC 49637805 PFJZPQBLAXKKFG-HUESYALOSA-O 761.941 11.189 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1-2 101043132 UQVDZBYEFISGNU-OZMIJRPQSA-N 552.251 6.778 50 1 KKGF COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@@]23[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 102934125 VNDOCQLTUJVVEX-QKUIVJEUSA-N 551.455 6.294 50 1 KKGF C[S@@](=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@@H](OCCCl)C(Cl)(Cl)Cl 103220398 RPEVQASCBSXLTQ-BYLKAPHFSA-N 593.069 6.171 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(COC(=O)CCC(=O)O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169366070 MRMWPXILPFNNHC-AENJXFEOSA-N 706.870 6.292 50 1 KKGF CC1(C)[C@H]2C[C@H]3OB([C@@H](CCCBr)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)NC(=O)OCc4ccccc4)O[C@@]3(C)[C@@H]1C2 169979010 NCDHKRAKNPGZPV-HTEITFIGSA-N 708.503 5.443 50 1 KKGF CCN1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 207720371 CMCZKFPSGLRSEQ-WRIIZRRBSA-N 637.764 5.036 50 1 KKGF C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C 238809199 MBPRAIUHHQIVQQ-OGUDCFSWSA-N 639.170 12.425 50 1 KKGF CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586935869 JTEPTWIHCKTYAL-HNNXBMFYSA-N 553.984 5.328 50 1 KKGF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 587091007 FJSMESCSVNRTKW-UHFFFAOYSA-N 525.462 7.025 50 1 KKGF O=C(N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 587179668 FSGOHRDVCQPMPI-AREMUKBSSA-N 932.285 10.720 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 587322524 NAPYHIBWMGLTAQ-ITHJLQSDSA-N 503.367 6.922 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl 587359604 IFPQEMRVEGOQRK-GBXCKJPGSA-N 588.278 6.281 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587712704 BLYNWDWRSZKJMY-GFFHKHEBSA-N 693.069 7.464 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587721672 XDBOHNUXWATMNI-BUBKTPIFSA-N 693.069 7.464 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 587809759 JIHRVQQOBHKNET-BRAFOUKTSA-N 716.685 5.601 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587840167 JWSQDWPBHDPUNS-CRYYWNKWSA-N 610.977 5.033 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587956118 UUVOWGWEFKRSLM-QGZVFWFLSA-N 503.334 8.357 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@@]1(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 962635018 NSXXWDWWGXCLAO-FJACRBCMSA-N 998.139 6.609 50 1 KKGF O=C(c1ccc(Cl)c(Cl)c1)[C@H](Cl)[C@@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648809 YJWFDTXCLIZZTP-JPBRBXQBSA-N 630.830 8.781 50 1 KKGF COc1ccc2c(c1OC)[C@H](c1cc(S(F)(F)(F)(F)F)ccc1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678075 OVYBALPMHHXRBF-QHCPKHFHSA-N 581.525 8.476 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 962713200 NYQUHLVTNAMHBA-SJCJKPOMSA-N 597.987 6.249 50 1 KKGF CC[C@@H](Br)[C@@]1(c2ccc(OC)cc2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963103153 YWFWTRIKQSNIIZ-RETAKORUSA-N 646.625 8.416 50 1 KKGF Cc1ccccc1[C@]1(CCCCl)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963582960 PLOMZWOSIQLSCE-SSEXGKCCSA-N 566.023 6.929 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(Cl)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937239 FOWYMZMFUXXAFG-AXTFLGFSSA-N 693.129 6.116 50 1 KKGF O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N/N=C/c1ccc(OCc2cc3c(cc2Cl)OCO3)cc1 1857541489 IBMBNRSAZGENHA-MHDJOFBISA-N 541.991 5.195 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CF 1857622011 FEJQUBQBRRMWJR-HDTLSCSRSA-N 523.428 5.846 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3ccc(-c4cc(-c5ccccc5)[nH]n4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857655178 UCHMXLKNSBYUBO-YCUFOKAESA-N 502.611 6.331 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cccc(F)c2)s1 1911583966 PFUPFDPAFZTRFL-SFQUDFHCSA-N 540.985 5.311 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCC4CCC(CC4)[C@@H](CC1)[C@H](O)C2)CC3=O 2356298529 JJMUCYRTZKBBSW-PAUGOIRPSA-N 981.383 9.678 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@@]4([C@]12O)[C@@]36C 2356315921 XWYLJKCURGZVGK-CQNBATMPSA-N 595.871 5.755 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356352628 XPVJWCGATZLZPL-CAGQKCJCSA-N 733.047 5.950 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(CCCC(C)C)[C@H]3CC[C@@]21C 2356360284 CJQWRPGNFCIOCL-GFQRGLQHSA-N 715.079 7.416 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356360845 PKMBWMDJQUGTGG-YFDFGWMWSA-N 590.845 6.972 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)cc(OC)c1O 2356360872 QFRWYUGDTDFVAP-HMUWRPEJSA-N 636.832 7.743 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@]1(C=C[C@@]2(CCO)CC[C@@]35CCN(CCCOC)C[C@@H]3C=C[C@H]2[C@@]15O)C4 2356365554 NWSJYOISIOIEJL-LYKCXNQCSA-N 975.145 5.179 50 1 KKGF C=C(C)c1cc2c(=O)c3c(O)c4c(c(C=CC(C)(C)OO)c3oc2c2c1[C@@](O)(C(=O)OC)CC2=O)OC(C)(C)C=C4 2356504077 DHSZUELPJXKISQ-WJOKGBTCSA-N 562.571 5.098 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@H](CSSCc1cc(O)c(OCCNC5CCCC5)cc1[C@@H](O4)[C@H]3COC(C)=O)C2 2356613854 ZUWPMNCRVDLOTJ-JXWWNXESSA-N 649.831 7.000 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@@H](C)[C@@H](O)c2cc(O)c1c(O)c2 2356714900 ADIDLTWFZOYUMC-JVMUXIRESA-N 603.284 9.958 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356812795 BMJNZCSOBWBYAE-XBBZHQGESA-N 943.110 5.061 50 1 KKGF ClC(Cl)(Cl)C1=N[C@H]2[C@H](Br)[C@@H]3O[C@@H](c4ccccc4)[C@H](c4ccccc4)O[C@@H]3[C@H]2O1 6018858 FTGLKINRGXMPTO-LOVVWNRFSA-N 517.634 5.566 50 1 KKGF CC(C)(CCCCCCCCCCC(C)(C)[C@@H](Br)C(=O)O)[C@H](Br)C(=O)O 26175792 AXXUJNIHMQQIIP-IYBDPMFKSA-N 500.312 6.636 50 1 KKGF COC(=O)N[C@H](C(=O)NN(Cc1cccc(/C=C/c2ccccc2)c1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C 28571546 VWOCPPGYAQUXJD-IHZZMVOZSA-N 704.868 5.209 50 1 KKGF COc1ccc(Cl)c(-c2noc([C@@H](C)Cl)c2COc2ccc(-c3ccc4c(C(=O)O)cn(C)c4c3)c(C)c2)n1 70622159 WSJSCNINNFUUQG-MRXNPFEDSA-N 566.441 7.443 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccc(C)cc4)C(=O)N3c3ccccc3)s2)cc1 103180412 LPPFNHRZLHFCSL-JLFGYZAPSA-N 583.695 5.843 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(CNC(=O)CN(C)C(=O)OC(C)(C)C)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 169359150 NNONCSGUJBUQLL-WBPGUSDMSA-N 905.914 5.808 50 1 KKGF CCN(CC/C=N\c1cc(O)c(NCCCNC(=O)CCCC[C@@H]2CCSS2)cc1O)Cc1ccccc1OC 169722286 QJUBXWIUQYXRTP-IPINHGCHSA-N 588.840 6.353 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 195192192 RWPJHYYGAGYJMG-LYVITFRSSA-N 846.465 6.345 50 1 KKGF O=S(=O)(O)c1cccc([P+](Cc2ccc(Oc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4cccc(S(=O)(=O)O)c4)cc3)cc2)(c2ccccc2)c2ccccc2)c1 195409603 UGJGJKCIEWCXCQ-UHFFFAOYSA-P 880.961 8.961 50 1 KKGF CC(C)(C)OC(=O)/C=C/[C@@H](CCC(=O)/C=C/[C@H](/C=C\CCCC(=O)O)NC1(c2ccccc2)c2ccccc2-c2ccccc21)O[Si](C)(C)C(C)(C)C 195517376 KXOUCTIRZSGNMU-RFQHURMFSA-N 736.038 9.922 50 1 KKGF C/C(=C\[C@@H](C)[C@H]1CC[C@@H]2[C@@]34C=C[C@]5(C[C@@H](OS(=O)(=O)O)CC[C@]5(C)[C@H]3CC[C@@]21C)OO4)[C@H](C)C(C)C 255282634 XYYJZBQRTQGWHJ-JDPSZSOBSA-N 522.748 6.691 50 1 KKGF O=C(OCc1ccccc1)[C@H](Cc1ccccc1)NC(=O)[C@H](CSSC[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)Cc1ccccc1 299811684 PSWMWFZRKCACRI-CJXWJHJYSA-N 865.130 9.027 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O 299816702 MUQIOBLJHGULKS-ZTFLRWDPSA-N 728.161 5.452 50 1 KKGF O=C1c2ccccc2[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 587053901 DYBJQGIVNXWSQV-UKILVPOCSA-N 681.352 10.561 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(F)cc1 587331513 HNQAKZIKJHSVEH-MFMCTBQISA-N 521.991 6.825 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)CC2=O 587456065 JZDRUJLYEVNFIW-QFIPXVFZSA-N 511.199 6.562 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2Br)N1 587726959 MYEIJSKXXUHDCH-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587737541 FYOAJBYDPMOEQR-RKYCHUIKSA-N 739.094 6.409 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1Cc1cccc(Oc2ccccc2)c1 618017303 NQMZYGZTMZBSLN-OZXSUGGESA-N 648.678 6.481 50 1 KKGF CCn1c(C(=O)NCCBr)ccc1C(CC)(CC)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 653782773 WHOUTLZEQSMRQC-UHFFFAOYSA-N 519.524 6.041 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C(=O)O)Cc1ccc(Oc2ccc(O)cc2)cc15 962917550 FPCMMOWVVUYMIV-ILWDKOSHSA-N 722.250 6.526 50 1 KKGF Cc1ccc([C@@]2(CCCCCCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1F 962975098 UZSQQMIGLZYNML-UBJPHBCOSA-N 628.524 6.789 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CBr)(c2cc(F)c(I)cc2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963033432 FFUJDICHWGNNJB-QLWXXVCSSA-N 827.229 8.370 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1Cl 963061595 FEENALAFIXVBHQ-UOIBYOLJSA-N 607.929 5.854 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1cn(CCC#N)c3ccccc13)N(C(=O)c1ccccc1N)CC2 963154453 KXTAINLQDJFCJU-PMERELPUSA-N 529.040 5.335 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@@]2(CCC3)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963217141 ORGNLWJJIDJOKZ-JBPBPQPWSA-N 821.799 8.119 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccnc(Cl)c2F)N1C(=O)c1ccccc1 963416049 MPMUCEJPRMLZAJ-UQBPGWFLSA-N 542.792 5.146 50 1 KKGF Cc1cc([C@@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)c(C)n1-c1ccc2c(c1)CCC2 963702625 KIHOCRFDBGQWLB-QVXXBSHFSA-N 598.143 5.179 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857557674 SFNJXBYPDVJSCO-WBVQTGARSA-N 613.542 7.259 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1C(C#N)=C(N)N(Nc2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 1911573288 NAMOOWKFTQWEHC-PMERELPUSA-N 653.556 7.638 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56CCC[C@]5(CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4)C[C@@](O)(CO)CC6 2356293032 ZOHBLYNUTJGDPT-DCBQSLJJSA-N 996.305 8.608 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@H]43 2356296762 NUTXGWYFYFLIEG-HXTGKINSSA-N 727.905 5.284 50 1 KKGF CCCCCCCC(Cl)(Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1 2356334712 LWFZKXMCJDHBNJ-MTIGAHDYSA-N 696.237 9.528 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356353905 UIUXABQNJWNJRT-TUTFSEHTSA-N 827.204 7.920 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)C1(CC=C(C)C)CCCC1 2356562624 YJOUVDGDSWRJKH-NWYOSKAGSA-N 607.876 5.752 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356564367 MMORFHDQAMJRTE-GUUHBMBQSA-N 813.133 6.336 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356635933 OSJYXBMTDGJQND-MKMLYNKXSA-N 827.160 6.522 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356850808 QAPGVGCCRNWUHP-GRMRANKWSA-N 839.093 6.353 50 1 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(C3CCSCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126749 GFLXRLDXOTTYEB-UHFFFAOYSA-N 595.769 5.833 50 1 KKGF COc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1NC(=O)Nc1ccc(N(CCCl)CCCl)cc1 42833839 JBOYBAXHBFKPAJ-UHFFFAOYSA-N 588.539 8.377 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)OC)[C@H]12 82139847 SHEQTFKRFVRGDB-LTUKQXDOSA-N 643.865 6.939 50 1 KKGF COc1ccc(/C(O)=C(C#N)/C(=N\[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)Nc2ccc3oc(C)cc3c2)cc1 101060712 BXDPCBCHELUION-DBJYNHDPSA-N 569.662 5.057 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 150345657 FCANQRCLSCLVLY-CNEVYPAFSA-O 779.921 5.558 50 1 KKGF biogenic,in-vitro 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O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587340720 YXJUTPIGTXHMLT-KGKLHAENSA-N 632.270 7.964 50 1 KKGF Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534150 BCYQHWSLRLVZHN-PMERELPUSA-N 520.094 6.900 50 1 KKGF CC[C@H](Cl)CCn1cc([C@]2(C3C(C)(C)C3(C)C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc21 962959033 RBLHUDGBDWJCOZ-KATKFWMUSA-N 587.170 8.645 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CCCCCCl)(c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963029473 BQGLPQMQLBCEAN-PJTQZDKOSA-N 634.094 8.407 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCCCl)(c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381124 PPTVOWHAKFIGGF-HJIQQCSTSA-N 600.086 7.143 50 1 KKGF CC(C)(C)C1=C[C@]2(N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)Cc3ccccc32)[C@@](Cl)(C(C)(C)C)[C@H](Cl)C1=O 963665052 FXMLGIBVGBGXBA-ISUWJTGZSA-N 601.571 5.100 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCl)(c1ccccc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772823 AMADDOKBHMVLRO-GDLZYMKVSA-N 502.998 5.325 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)cc(Cc2cccc(O)c2)c1O 2356293037 ZPOZSRMKOOJSFP-WKLQXOKDSA-N 849.036 9.003 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)CC2CCCCC2)[C@H](Cc2ccccc2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356309208 MNYWYBWYNWXDNL-GRNCXJNASA-N 637.996 9.103 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356349942 RCJMDXUTXNHZSH-XPKTXRQESA-N 936.295 5.720 50 1 KKGF COC(=O)CCC(=O)[C@]12C(=O)N[C@H](Cc3c[nH]c4ccccc34)[C@@H]1[C@H](C)C(C)=C[C@H]2C=CC[C@@H](C)C=C(C)C=O 2356366354 GONMAPGEEGOZBM-QEKDRAROSA-N 544.692 5.274 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3CCC[C@@H](CC[C@H]4Cc5c(c(OC)cc6c5[C@H]1[C@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 2356366518 KUXUQRRZGJUVTH-CKLGRGLVSA-N 672.865 7.671 50 1 KKGF C=C(C=CC=C(CO[C@H](CO)CCCCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C 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CNCCOc1cc2c(cc1O)CSSC[C@@H]1Cc3cc(O)cc(OCO)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O 2356775580 OLZORRZWXFXYAW-UPULCKDPSA-N 611.738 5.007 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCCC4)c(=O)oc3cc1O2 2356812401 BJJVHDUAUCIUFI-FZGDDGPLSA-N 861.140 5.405 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@@H](CCc4ccccc4)CC[C@@H](C3)CN2C[C@H]2[C@H]3[C@H]4C=CC[C@@]56CC[C@@H](O)C[C@H]5[C@@H](O)C[C@H]([C@@H]46)[C@H]3CC[C@H]21 2356849906 PNIKXJJBTIKUMB-YUDUMFRRSA-N 754.159 9.142 50 1 KKGF C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)[C@H](Sc1ccc(NC(=O)CBr)cc1)CC1=CC(=O)CC[C@@]13C 26746569 LCFDGVXDFUKBGU-CMNCBDMFSA-N 530.528 6.192 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCCN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49780584 QAVVALJUOXDOSI-NJMSHUOMSA-N 639.875 6.149 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(Cl)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283553 OISVKZQFIIKGRN-QLQYKETESA-N 606.098 7.239 50 1 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587323403 RAPUGGOLIHCQDN-AOYPEHQESA-N 507.359 5.675 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23CC(=O)c2ccc4c(c2O3)CCCC4)C1 587507525 NCAZPTBQSCMWBG-KXESBLGLSA-N 628.591 7.579 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587616966 IFARVLCIQWGYIU-HLADLETHSA-N 593.488 7.158 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(CCl)c2c1 587617850 KWYYAYNXABEMKG-UHFFFAOYSA-N 506.367 5.945 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 587688266 KFMLYYLOAWTOBF-HVVPNVAPSA-N 531.809 5.341 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl 587848394 IGQFIGULRXSPLV-GIGQVBGESA-N 574.137 5.861 50 1 KKGF COc1ccc(Cl)cc1C#CCc1cc(CBr)c(CBr)cc1CBr 587898360 JKUCMZUUNBYMFE-UHFFFAOYSA-N 535.501 6.628 50 1 KKGF COc1ccc2c(c1OC)[C@]1(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C1)N(C)[C@@H](C)C2 962629788 IHTFCIQXZPSMOK-USXNREEHSA-N 706.533 5.901 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(c3ccccc3C2=O)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963066041 GFNPSHDAUGHOBF-NTMYJGGRSA-N 644.124 5.567 50 1 KKGF C[C@]1(CCBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963218305 RDHDHTLUEOHZSN-DWACAAAGSA-N 626.416 5.469 50 1 KKGF CC(=O)N1CCc2ccc(C(=O)[C@@H](C)Cl)cc2[C@@]1(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)NCCc2ccccn2)c1 963549016 IKHZESHABXXKBZ-QTYPKTMWSA-N 623.075 5.908 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(F)cc1 1857758569 GORBQSXALLNRBR-MIEVGZHMSA-N 659.799 7.695 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)CN[C@H](C)Cc1ccccc1 2356356019 JVDXWLWUNKJCTG-VUSXQUERSA-N 686.978 5.783 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@@H](CCCO)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356367153 XBLBCMDGVHBGLN-NRNHZEDHSA-N 903.173 7.811 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@H](O)CCCCC)CCC=C(C)C 2356387942 MADNRNGLRBRRDV-AZDIKTDQSA-N 556.828 6.919 50 1 KKGF C[C@H]1CSSC[C@@H]2C[C@@H]3Cc4cc(cc(O)c4C#CC[C@H]4C[C@@H]3[C@@H](C2)[C@]2(C=CC[C@@H](C)C2)C4)Cc2ccccc2CN1 2356413463 YDRNYFOWZIMLSN-SZCXIIISSA-N 597.934 8.795 50 1 KKGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@@]5(CSSCC[C@@]2(C)[C@]31CC4=O)NC(=N)NC[C@@H]5Cc1ccccc1 2356434192 IHAHPHIPCGBJIH-JXGNOUEASA-N 553.838 5.597 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@@]3(C)O[C@H]([C@@](C)(O)CC[C@@H](O)[C@]4(C)C[C@H](O)[C@H](C(C)(C)O)C4)CC[C@@H]3O2)CC[C@@H]1Br 2356440303 VVPGMZKHHNSPAS-XGBAFGBISA-N 619.678 5.023 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2C[C@H]3CC[C@@H]4CCC[C@@]4(C2)C3)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356441453 SPJQVTXBHYCVFU-BOCDIOKTSA-N 793.193 8.730 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@@]2(CCCC[C@@H]2CSS[C@@H]5O)C1=O 2356585510 RXDGZHMRTTUOSF-BFUGMLMJSA-N 894.250 7.487 50 1 KKGF CCCCCCCCCCCCCCCCOOCC1=C[C@H]2C(=O)[C@@]3(C=C(C)[C@H](O)[C@]3(O)[C@@H]1O)C[C@H](C)C[C@@H]1[C@@H]2C1(C)C 2356610790 YIJXYOWJBGJASL-ZGBRBPEHSA-N 602.897 7.643 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CCC6(CCCC6)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@@H]2O 2356684198 NNXKWDHOIVEJBN-KTICBOHZSA-N 956.274 6.747 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356705458 OTNOHAQWJNAIKA-GXBVEPQOSA-N 894.206 5.701 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O 2356752907 CNIPAIGHIJWOMR-CMOCDZPBSA-N 606.071 7.078 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356768006 IOIGSXZZBSUSIN-RAQPPYCHSA-N 930.335 7.112 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C 2356778352 SLNGACCBOMIVGF-VYDZHMBASA-N 514.747 6.014 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356855703 RSKDJIUGLMQCGI-YXKNWJBGSA-N 571.849 5.589 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC(=CCN4)[C@]4(CC[C@]5(CCCC56CCCC6)C4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356875277 ZOCRGYHBBLGJEC-UHVSNYJFSA-N 899.141 5.938 50 1 KKGF CCCCCCCCCCCCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 73298346 LGHZJIAMJUWMNS-HHHXNRCGSA-N 539.673 5.655 50 1 KKGF CCCCCCCCCCCCCCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCCCCCCCCCCCCCC)c(C)c2C)nc2ccccc21 150565799 YCUOROSUVTYYPO-UHFFFAOYSA-N 993.549 16.457 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCSCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169303019 SONOEGJPRKBJAA-IHHGTTSPSA-N 622.865 7.001 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](OCCCBr)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 169317834 YTWKHBPHKZNQDJ-WNWXHQJLSA-N 813.183 5.344 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2nc(-c3ccccc3)cc(Nc3ccc(F)c(Cl)c3)c2c1 169352633 SNDMUSZBZMGLSR-UHFFFAOYSA-N 622.959 9.366 50 1 KKGF Cc1nnc(NS(=O)(=O)c2ccc(/N=N/c3cc(/N=N/c4ccc(S(=O)(=O)Nc5nnc(C)s5)cc4)c4c(NC(=O)C(Cl)Cl)cccc4c3OC(=O)C(Cl)Cl)cc2)s1 195502119 HJXALNVVBHBMEA-IZRQRQPJSA-N 943.686 9.043 50 1 KKGF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)ccc2s1 587033975 DDCRJBQIIPGBQF-UHFFFAOYSA-N 535.516 6.767 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055055 JFEVZPAOCJSRCW-ZHZULCJRSA-N 505.453 6.093 50 1 KKGF Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166653 YWBKQCXELWIBFX-UHFFFAOYSA-N 510.301 8.103 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587369501 JOBMPYGUGBVXFS-XLJNKUFUSA-N 625.118 5.453 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587409135 KMFSLBAVYMDHNH-AHKZPQOWSA-N 511.172 6.679 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 587673541 OCAHFQCHCNEMKN-OZAJXLCCSA-N 515.220 5.854 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 587712919 BQGBEJRKHBRJFY-UGZDLDLSSA-N 545.140 5.964 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl 961752967 WWXAPWBZAVDASE-AREMUKBSSA-N 502.442 6.161 50 1 KKGF CCOC(=O)[C@]1(CCBr)CCC[C@]12c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961774568 HKZVWICCHZUNQB-FTJBHMTQSA-N 521.496 5.552 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2NCCc3cc(-c4ccccc4)ccc32)cc1C(C)(C)C 962671711 UNWVIMBFHYCKGW-GWHBCOKCSA-N 754.052 11.554 50 1 KKGF NC(=O)c1coc([C@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963066334 DHKYGXJYIRGCEO-XLWWBGEVSA-N 743.105 6.817 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CCl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 963243371 RWOJBLWSRIAGKQ-MGONOCMRSA-N 511.131 5.676 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](c2ccc(F)cc2F)([C@H](C)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367149 MWGSJNZEKLAAQM-PWZLPMOJSA-N 648.500 7.046 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc(N3CCCCC3)cc2)N1C(=O)c1ccccc1 963441306 BZALWOYANHPONG-JTSJOTPCSA-N 572.503 5.948 50 1 KKGF CC(C)(C)OC(=O)N1CCC(C(=O)n2cc(/C(C#N)=C/c3cccc4cnccc34)c3ccccc32)CC1 1857554139 KNNHHRHJVIOSPN-JJIBRWJFSA-N 506.606 6.541 50 1 KKGF O=C1C=C(O)C=CC1=C(O)CCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857556897 QSNLJMKYJZXADS-UHFFFAOYSA-O 609.811 9.835 50 1 KKGF CCCCCCCCCCCCCCCCCCSSCCO[P@](=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21 1857603335 OLORQEAMXUIPJJ-AREMUKBSSA-N 631.890 8.616 50 1 KKGF O=C(CCl)Nc1ccc(-n2[nH]c(=NCCCCc3cn(-c4ccccc4)nn3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857638000 UBIIUYCQJAUSAU-UHFFFAOYSA-N 595.922 5.856 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@]35C 2356358282 OBRCFHXRJRLZHW-QVDDIYJLSA-N 906.261 7.306 50 1 KKGF C[C@@]12CCSSC[C@]34NC(=N)NC[C@@H]3[C@H](c3ccccc3)C=C[C@@H]4CCC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356374413 VPPWXCZHVVPNEF-LAOFHXABSA-N 621.913 5.687 50 1 KKGF CCC[C@H](O)C[C@H](O)CC(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1 2356487512 DEWQGWAGXCRLPF-PMUFZYBNSA-N 837.077 6.767 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356775348 KIFFLFCZYGUARK-LBMDOVHYSA-N 934.315 8.289 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@@H](NCCCCO)c1cccc(O)c1)CC(=O)CC2 2356777545 YEHKBWHSWNNGLG-XWDCEDKXSA-N 691.912 8.035 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(C)=O)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356786546 AVRZFLNHFOPIIM-OGBCHLLNSA-N 939.457 16.250 50 1 KKGF C=C(C)C(=O)CC[C@]1(C)[C@H](Br)CC[C@]2(C)[C@H](Cc3cc(C(=O)O)ccc3O)C(=C)CC[C@@H]12 2356789336 DDSAACDWDIVURT-XSDGDAHBSA-N 503.477 6.711 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@@]23CCC[C@H]2C=CC2=CNCN23)SSC1 2356835591 KTDKYMOLDUPUCK-GTLYPPDYSA-N 672.917 7.271 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)C[C@H]5C=C[C@H]4C[C@@H](C5)[C@H]3O)C=C12 2356848449 PEVSTNDDAMBYLI-PXPFVNIBSA-N 854.192 6.747 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)[C@H](O)NC[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)[C@H](c3cc[nH]c3)CSSCO[C@H]2[C@H]1O 2356864288 VTCMXVATQHXSOG-DUMDNFAISA-N 905.060 6.750 50 1 KKGF Oc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(O)c2)c1 26666308 DORFTHORGPPYKY-UHFFFAOYSA-N 562.890 5.659 50 1 KKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40663188 XWKVZVJGLZEYER-TZSKPUIQSA-N 508.949 6.308 50 1 KKGF CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 43260780 QTSYGMXMKZFMFC-PDBZVODSSA-N 573.681 5.869 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 85594610 HFARLHLTUHQNDS-SAOVDXHDSA-N 713.922 7.067 50 1 KKGF biogenic,in-vitro CCCCC[C@H]1CC[C@]2(CC[C@@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc3cc(OC)c(O)c(OCO)c3)[C@H](O)C[C@@H](OCO)CC4)C2)C1 85595602 OSEVPXPRIUAFDL-ZDSHRZRGSA-N 795.070 6.790 50 1 KKGF biogenic,in-vitro CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)C2(CCCC2)SSC1 85596467 DLQLUIIDGPGRDF-XSBJJCPUSA-N 540.751 6.481 50 1 KKGF biogenic,in-vitro C/C(=C(\CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1)SSCc1ccccc1)N(C=O)CC(=O)OC[C@H](OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)[C@@H]1OC(=O)C(O)=C1O 169350042 DRBSSRQDAHYRIF-YKRMXKARSA-N 876.103 8.904 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC[C@@H](CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 253678211 PEDALXVTCNEIDB-MATYVOKUSA-N 905.132 8.419 50 1 KKGF C=C1C[C@@H]2C/C=C/C(=O)O[C@H]3[C@@H](C)[C@@H](C/C=C/c4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/C#N)[C@@H]3C 255285205 YTQSRBIUUZXQQA-QAQZIRTBSA-N 578.706 5.534 50 1 KKGF CCCCOc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br 587056724 QYEFFZLDNLYARB-WQRHYEAKSA-N 558.307 8.283 50 1 KKGF N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587181110 SOHHNQRITDLFEL-LLVKDONJSA-N 710.042 7.140 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320977 HTYLQPOZLVILOP-YZCBWUASSA-N 520.192 6.332 50 1 KKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 587322825 IBBJQZIATLWUPW-YXQUNVLPSA-N 526.007 7.810 50 1 KKGF COc1ccc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 587322843 PFBPIHTWJUWQBD-VPUSJEBWSA-N 507.355 6.342 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O 587451805 KVNRZYJIZGLWEK-UGDMGKLASA-N 550.120 6.802 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(SC(F)(F)F)c1 587557704 SKJHVSHFUYOXBX-WIYYLYMNSA-N 511.315 6.256 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587840100 JLCPNZXGDIHHAW-KXVHNFKESA-N 565.936 5.455 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)[C@H]1CC=C[C@]21N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962761187 GZKOHIFTGWLWPU-AGENIKCDSA-N 681.828 6.931 50 1 KKGF Fc1ccc(C(F)(F)F)c(F)c1[C@@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958504 QCEBTZBBXDLTHZ-FQEVSTJZSA-N 544.280 6.292 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1ccc2c(c1)CCCC(=O)N2 962990148 HQVUUOXQJRCZTK-HKBQPEDESA-N 581.496 5.772 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)c2c(F)cccc2C[C@H]2CCCN21 963106252 JYYYFVGWSIKZRC-YUELDMSLSA-N 616.601 6.222 50 1 KKGF CCOC(=O)[C@@]1(CCCCCCCl)c2c(ccc(OC)c2OC)CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963804865 BEUZMCZKUVNZGP-SSEXGKCCSA-N 555.071 5.400 50 1 KKGF Cc1cccc2c1[C@@]1(C=C(CO)OC3=C1OC(N)=C(C#N)[C@H]3c1ccc(C(C)(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963855111 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Cc1c(Br)cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1C 587191169 QJSLYGMTKFZLQC-NQBUTBTJSA-N 668.717 7.974 50 1 KKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323753 SXARFCYJPCGDFO-POFAEIHESA-N 538.251 6.225 50 1 KKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587534217 XQFLQEINEBPNFP-PMERELPUSA-N 569.123 5.093 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 587734090 MXHHBNWEIMOAPS-XZCOFFELSA-N 618.129 7.544 50 1 KKGF N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@]12C(=O)c1ccc(Br)c3c(Br)ccc2c13 653701735 YFAGHBJUUNOWSW-WJOKGBTCSA-N 671.349 6.244 50 1 KKGF CCN(CC)CCCOc1ccc(/C=C2\CCC/C(=C\c3ccc(OCCCBr)c(OC)c3)C2=O)cc1OC 653758608 CYOTUOBEIUXMNK-CRYYDKFDSA-N 600.594 7.198 50 1 KKGF COCCCN1CCc2ccc(OC)cc2[C@@]1(CCl)C1=C(C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 961321783 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COc1cc(Cl)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587538001 MFCJOWOZDPUFTE-NZQKXSOJSA-N 505.748 5.315 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)cc1C(F)(F)F 587550142 SWXFQZKIGIYQDM-GHTZIAJQSA-N 547.245 6.682 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587620536 ZOSAPYHMMUPEAB-SWSHJDBWSA-N 604.124 7.060 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 587844120 MHKQRKPKROCUQN-LAJNKCICSA-N 574.151 7.252 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(Cl)c(Cl)c2Cl)N1C(=O)c1ccc(Cl)cc1 963010389 NJDVWBJVQCCWKA-IBVKSMDESA-N 627.149 7.572 50 1 KKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963103158 YWFWTRIKQSNIIZ-YFTHYISFSA-N 646.625 8.416 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(F)cc2Br)N1 963183196 NYGLWWKXXLEZCD-RDJZCZTQSA-N 545.552 5.498 50 1 KKGF COc1ccc([C@]2(CBr)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] 963189118 OQSOEVWKRURINF-SUYBVONHSA-N 633.451 6.095 50 1 KKGF C[C@H](Cn1ccnc1[C@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21)O[Si](C)(C)C(C)(C)C 963191085 YIUOETPVLTZVPQ-ZNOIYHFQSA-N 518.052 5.654 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@]12CCN(C(=O)OC(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)C2 963244890 XOXAODRCYXMDPE-VNZAXJPBSA-N 502.816 6.960 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963805682 FFGJQHILRLYVEF-TWEZTRHFSA-N 654.163 6.193 50 1 KKGF C=C1CC[C@@H]2[C@@](C)(C(=O)OCCCOC(=O)[C@@H]3C(C=O)=Cc4cc5c(cc4[C@H]3c3cc(OC)c(OC)c(OC)c3)OCO5)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 1857765817 BLZZJISGFGIPMR-TUPVEPLYSA-N 945.071 9.677 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(C4(NC)CCCC4)c3)C=C[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356291951 IDLZKYJYKRPZQL-PSXOYJMSSA-N 998.321 10.020 50 1 KKGF CCCCC[C@]1([C@@H]2C[C@@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@H]2CCC[C@@H](C2)Oc2cc(ccc2O)C1 2356368069 LWJCHJQZZVWXES-YOKNTKGGSA-N 752.008 9.114 50 1 KKGF C[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCCC=CCl 2356542172 MRHBLGIXICCSSZ-HGPDSQILSA-N 513.138 6.324 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=NNC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CCC2=NNC(=O)c1ccncc1 2356716849 ZYEHQFGKBKGWDM-ZUOFVQRFSA-N 524.669 5.311 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@@H]2C=CC[C@H]3O 2356746059 RFZZIDPOIBIRPO-FASMIGSPSA-N 970.356 6.622 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356774463 YCKKBGSMVPNQHX-ZCKRGDTASA-N 861.221 8.145 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356815998 MRPYBWQVQHMPLO-DBPLAVNHSA-N 674.865 5.565 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4([C@@H](C)Cc5ccccc5)CCC[C@@H](CC45CCCC5)[C@H]3O)C=C12 2356852145 QNOHXLAMRMJOJQ-QLAUMGCKSA-N 974.387 9.364 50 1 KKGF N#CC1=C(N)OC2=C(SC3=NC4=C(C(=O)CCC4)[C@H](c4ccc(F)cc4)N32)[C@@H]1c1ccc(Cl)cc1 32050716 WQEFZVYKNSVVPI-IRLDBZIGSA-N 504.974 5.623 50 1 KKGF O=C(Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1)Nc1ccc(N(CCCl)CCCl)cc1 66111723 AGDCYKGWYNLPQZ-UHFFFAOYSA-N 546.543 5.705 50 1 KKGF CCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 82191201 PQBOOJWKELKJDE-DIPNUNPCSA-N 732.912 6.248 50 1 KKGF O=C(C[C@H]1CSC(N2N=C(c3ccccc3)C[C@@H]2c2c(F)cccc2F)=N1)N/N=C/c1c(F)cccc1F 98082045 HJHBUNDZDUJRDR-FSWGLLSPSA-N 539.558 5.406 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(CCCCNc3ccnc4cc(Cl)ccc34)CCO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169299213 SZDKOFBBSICZQM-DJLAKXESSA-N 870.525 8.832 50 1 KKGF CC(C)[Si](OC(=O)Cc1cc(I)c(Oc2cc(I)c(OC[C@@H]3CO3)c(I)c2)c(I)c1)(C(C)C)C(C)C 195364559 FMLNIYCGQUBEIJ-IBGZPJMESA-N 960.239 8.936 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]12C 263611971 XRRHDGKBIMJRKD-IJMFWXQVSA-N 546.384 6.503 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189549 CXTQUMAQRAMIQC-MRUJLHLNSA-N 580.745 6.129 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324132 WDJMVODNJGVFRU-ZSRMOJDHSA-N 547.420 7.148 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)[C@H]1c1ccc(F)cc1 587326800 CVPMBIMINVTLFR-RBBKRZOGSA-N 529.711 6.853 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 587538896 HBZYQFAVCNFJOA-SQHAQQRYSA-N 538.825 6.658 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2c(C)cc(Cl)cc12 587623753 OLHVZCZVRPTSPG-FTZFHBFASA-N 576.948 7.129 50 1 KKGF COc1cc(Cl)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587673860 QXFJYSMUEVRDAR-DGIBIBHMSA-N 507.625 5.432 50 1 KKGF COc1ccc(C(CC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c2ccc(OC)cc2)cc1 653720517 OUHVGGPQJSFWOZ-RSIQXCDYSA-N 552.664 5.977 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1cc(Cl)ccc1O 961747107 GAMPRPXVKILKDU-DEOSSOPVSA-N 507.856 5.835 50 1 KKGF C[C@@]1(c2cc(F)cc(CCl)c2O)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963066415 DOBBVVZAWXUUDY-PGSXYRMZSA-N 758.135 8.490 50 1 KKGF COc1ncccc1[C@]1(CBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963240637 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977.388 10.619 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](CC[C@@H]3[C@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@@H]13)SSC21CCCCC1 2356527667 FZZRIEDNTMQDOE-VQWFSCTQSA-N 847.113 8.121 50 1 KKGF CC(C=CC=C(C)C=CC=C(C)C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)[C@@H](O)CC1(C)C 2356539640 VFPVMIPMYVASLR-DHUJRADRSA-N 538.772 8.930 50 1 KKGF CCCC[C@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@H](OC)c2cc(O)c1c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)c2 2356562677 ZYGXVSICEXXAKB-ALPJTAOFSA-N 978.010 5.427 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356563222 SRWDJHBXGAJNAG-NRZSOJEISA-N 899.277 9.440 50 1 KKGF CCCCCCCCCCCCCCCCOOCC1=C[C@H]2C(=O)[C@@]3(C=C(C)[C@H](O)[C@]3(O)[C@@H]1O)C[C@H](C)C[C@H]1[C@H]2C1(C)C 2356610788 YIJXYOWJBGJASL-GIQPYTTNSA-N 602.897 7.643 50 1 KKGF COc1cc2c(cc1OC)C(=C(C=O)c1ccc(-c3cc(OC)c(OC)cc3C[C@@H]3c4cc(OC)c(OC)c(OC)c4CCN3C)c(OC)c1OC)NCC2 2356688594 FLLGTCPIQGAJQA-MGBGTMOVSA-N 754.877 6.416 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356737326 JZFDJBWAQDPEDG-COVZWWTMSA-N 701.005 6.077 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356778406 UKTXJMJUZMZBJU-IMYQSJNPSA-N 815.067 8.525 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@H](O)C2CCCC2)C1 2356817158 DIDJKGYPHJQHLR-MPSJPXBVSA-N 877.227 5.502 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356818468 DUGLNGJLZBMMFZ-PXGQFBPNSA-N 743.992 7.106 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)Nc3ccc4c(c3)[C@@H]3CN(C(=O)C5CCCCC5)CC(=O)N3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 82155172 VXUUYTPAQFMECS-DRGYXCPZSA-N 693.838 5.005 50 1 KKGF CCCCCCCCCCCC(=O)O[C@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](C)OC(=O)CCCCCCCCCCC 95614880 SXIYHHBAIJTCSX-LQFQNGICSA-N 785.170 11.651 50 1 KKGF C[C@H]1CC=C[C@@]2(CCC[C@H]3[C@@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@]5(C)CC[C@@H](SSC5)[C@H](C4)C[C@@H]32)C1 103574377 OWJFWYLNLZLJIG-GTWAKKMXSA-N 587.939 9.346 50 1 KKGF biogenic,in-vitro CNC[C@H]1C[C@H]2CC[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(C[N+]5=CC6=CC=NC6=C5)nc4N)-c4cc(cc(N)n4)CC[C@H]4O[C@]24C(=O)O[C@H]13 150345615 ZOPWFBWUEINXIS-LKIUGKAJSA-O 889.093 6.345 50 1 KKGF biogenic,in-vitro COC(=O)[C@H]1NC(=O)[C@@H](c2ccc(OC)c(Br)c2)NC(=O)[C@H](NC(=O)OC(C)(C)C)c2cc(O)c(OC)c(c2)Oc2ccc(cc2Cl)[C@H]1O[Si](C)(C)C(C)(C)C 195256650 OORROMQHLAKAPW-FEFKUCBWSA-N 879.274 7.775 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccoc2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253635649 ZABSPJOXBSMZHR-BNYSYSJDSA-N 563.474 5.440 50 1 KKGF N=C(N)c1ccc([C@H](NC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]23)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 253635896 HFTCHVWOKABTBT-AGWUOZRASA-N 842.019 5.556 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299810375 UXZCKFPBCBHVFY-WTDMPBFUSA-N 897.148 7.237 50 1 KKGF O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc([N+](=O)[O-])c2)c1 473153317 AGGSQWDZUPCRDU-UHFFFAOYSA-N 608.752 7.920 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057091 UFSCMRXHPILPPO-RGEXLXHISA-N 594.424 8.613 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587325301 DKMHOOYYOAUSMS-HVNZXBJASA-N 587.007 5.476 50 1 KKGF COc1cc2c3c(c1)O[C@H](c1ccccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)[C@@H](C2)C3=O 587448620 KQJATWDJSUFMES-QPQHGXMVSA-N 506.582 6.176 50 1 KKGF O=C1C[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)Oc2c1ccc1c2CCCC1 587501092 WEDSIJSUKJCIFR-HSZRJFAPSA-N 507.211 6.783 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587844226 KZCDEWSCXYSJDB-JBEBIEQOSA-N 507.900 6.734 50 1 KKGF CN(C(=O)NC(=O)c1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 653884791 ZPBDOPXAKKYVHC-AOJZPQQRSA-N 611.446 5.950 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857538582 YSCSLIZULBGIEW-FBXQAUFESA-N 746.049 10.542 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCCCCN=C=S)CC[C@]4(C)[C@H]3CC[C@]12C 1857565038 QGWGVBRWMAFYLJ-FQIRVHOESA-N 527.903 10.076 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)C[C@@H]3CO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857774960 MUMUTRNJZDWKQM-PMSCTFEHSA-N 976.119 5.880 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(C)O)CCC=C(C)C 2356350228 XRKSHLBMQQSJSI-IMDIYHSTSA-N 554.768 5.009 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356366689 OOPWXZHGLCELGS-MFCGZAOPSA-N 903.255 6.431 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356515405 NWTZMBNBNDACRI-ZARORKMYSA-N 837.199 7.951 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CCC[C@H]2CN(CCCOC)CC[C@H]21)C3 2356772570 BWGPDNSPIHWCMR-YXAUMHAESA-N 812.957 5.313 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)[C@H](CCCO)CC[C@@H]2[C@H](CC)N(CCCOC)CC[C@H]21)C4 2356773238 UHFGKTBTSOTHFS-RVHPXWFHSA-N 955.155 5.481 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356780442 WQXRNKLSXOZKHF-WCAWZHMFSA-N 612.898 6.515 50 1 KKGF COc1cc2c(cc1OCCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O 26264640 RLIOMPPDIFYGQG-MOPGFXCFSA-N 548.039 5.403 50 1 KKGF C[C@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@@H](NCc2ccccc2)[C@@H]1O 43990321 OLQRKMUWNZXFCQ-WQWOBMSQSA-N 545.595 5.566 50 1 KKGF CC1=C(OC(=O)CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 95562194 SUVLCXBVJRBGPG-UHFFFAOYSA-N 519.557 5.657 50 1 KKGF O=C(CCC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2)NNC(=O)CCC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 95607071 RPKDUSNTVQLLLU-QVXITYKDSA-N 841.066 5.387 50 1 KKGF N#Cc1c(-c2ccccc2Cl)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 96933471 SIRBLRUNUZZZHZ-JWQCQUIFSA-N 510.384 6.512 50 1 KKGF C[C@@H]1[C@@H](CC(C[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 169615548 CRSJHIRCVZDTHB-QADAJZKRSA-N 832.066 7.556 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CN=C4[C@@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1c(C(F)(F)F)cccc1C(F)(F)F 169728717 PLXLNNOTMDSATC-VGCLNXNLSA-N 562.982 7.153 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 195192164 RWPJHYYGAGYJMG-HVMIPHTDSA-N 846.465 6.345 50 1 KKGF CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C)C(N)=O 195352994 YOISDXAVGVRXOR-XOZZKCTKSA-N 731.181 6.864 50 1 KKGF COc1ccc(COCC[C@H](C)O[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 254076700 KEMFXFONLNFIMG-SGISJFGRSA-N 819.990 7.761 50 1 KKGF O=S(=O)(Nc1ccsc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 587170096 IFCPIUNZWNPBMJ-UHFFFAOYSA-N 578.379 7.651 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OCc2ccccc2)c1 587538348 PGQFZPHXHSAETQ-NAKRPHOHSA-N 517.375 6.223 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(O)cc3)c(CCCl)c2c1 587617742 JQMJPCFOXIGLNI-UHFFFAOYSA-N 501.948 5.039 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 587672163 DHASJXARSCHYPU-CGSMKXTHSA-N 520.281 5.360 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 587673869 QZTXXWPSTIKDJC-DLUDVSRJSA-N 558.245 5.562 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587688890 OICKPSGTGULDDT-JYCPIGSLSA-N 527.821 5.525 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587850374 PQARJPQKMAKUEQ-IOKNLURESA-N 788.867 11.177 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cn(Cc2c(F)cccc2Cl)nc1N=C=S 587893546 WZJPSLDVNQBOTG-UHFFFAOYSA-N 507.805 5.475 50 1 KKGF [C-]#[N+][C@@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 587895834 JYBKDBCZIDBNBJ-AREMUKBSSA-N 511.430 5.404 50 1 KKGF COc1cc2c(cc1OC)[C@@H](c1cc(Cl)cc(S(F)(F)(F)(F)F)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670657 FQAPCWWTSDJKKQ-HSZRJFAPSA-N 601.943 8.821 50 1 KKGF COc1ccc(Cl)cc1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963021765 RHVHQTMOGSBIJO-WXVAWEFUSA-N 588.285 6.274 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1[C@@H]2C(=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]23C)[C@]2(O)[C@H]3CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)[C@@H]5CC[C@@H]1[C@]2(C)[C@@H](C3)[C@H]5[C@H](O)[C@H]64 2356352050 LLPUMDGQIHCOJF-CDCNPLJESA-N 930.335 7.185 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356353953 DSQZKSJZYCSNKR-JGGGCUCKSA-N 790.994 5.452 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1[C@@H]1C=C(C)CC[C@H](Cl)[C@@]3(C)CC[C@@H](O3)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 2356383863 BEJASAFEMXKLJK-CDCSPYMHSA-N 719.400 7.492 50 1 KKGF C[C@@]1(C2CCCCC2)CC[C@H](O)[C@]23[C@@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CCCC[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@]3(O)CCC1=CC(=O)OC1 2356654639 FQPRORZTAZHAIA-FXRCHECKSA-N 873.275 10.184 50 1 KKGF C=C1C[C@@]23C[C@@]1(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@H]3C(=O)OC 2356673275 FIBPEYBXIIRIQW-SFXVEKKFSA-N 506.788 5.058 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@@H](C)C3)C2)CC12CCCC2 2356773143 RVXSNDIXXZOGLL-QZXJVQHSSA-N 713.154 10.600 50 1 KKGF CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C 100090555 LCJOSIBQVUSWIH-AQCLMGBYSA-N 534.693 7.064 50 1 KKGF in-vitro COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 150593303 RLEYILMQLZCCLF-TVWMEJQPSA-N 691.913 7.588 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(Oc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]c(C(F)(F)F)c(C(=O)OC)c65)cc4c3)ccc2[nH]1 150604053 QUUCVBGQVVJNAW-WOJBJXKFSA-N 997.689 10.392 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c3nnc(-c4ccc(F)cc4)o3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169361902 JFUFZENWIKRHCC-DSVFZREYSA-N 738.894 8.241 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 169363392 GXXCHGXPDJFXGQ-PFXQWBNXSA-N 557.171 7.613 50 1 KKGF CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O/C(=N\C2CCCCC2)NC2CCCCC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716320 ULMDAAQXWOWBII-IFGRXZIBSA-N 636.874 7.656 50 1 KKGF CCC(=O)N1CCCC[C@@H]1[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195824889 SDDAUTZIHMYSJR-FTUMRHTFSA-N 573.979 8.578 50 1 KKGF COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc(OC)c1OC 299833360 KRDLUGZZVOBHNO-SANMLTNESA-N 542.588 5.424 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299841651 ZMYCLKSPUUAQFN-RYOBGKCESA-N 945.072 7.011 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473108839 OTIARJABKBSMJX-BPBIIXOYSA-N 650.762 5.269 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(c4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)CC[C@]3(C)CC[C@]21C 586899909 WDKQRGUWNKQDNI-DIULBLBCSA-N 668.857 10.813 50 1 KKGF CC1=C(c2ccc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)NNC(=O)C1 587054394 FOWDJCYCHXXREW-YBFXNURJSA-N 517.420 6.097 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 587672815 IGIRFVKHTPOOJA-NPMXOYFQSA-N 505.225 6.553 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@]2(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)N1 587691237 DMOFRUVUQAGCKK-TXMPMJKFSA-N 735.518 7.631 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587712432 ASDCCEWNCLMPIR-FNODVLLQSA-N 562.257 7.267 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 587722441 YRTUSCOIQHCVCY-ZRNGKTOUSA-N 545.140 5.964 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 587848133 ZWAGWBDFNDHBFS-LAJNKCICSA-N 574.151 7.252 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2\NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 587853682 AVBZDEPJUVDINA-ZPTUAKGISA-N 548.953 6.686 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@]1(C)[C@@H](O)CC[C@]2(C)[C@@H]1CC[C@@H]1C[C@H]3C[C@]12CC[C@@]3(C)CO[Si](C)(C)C(C)(C)C 653809967 DQIKZIYVQYDTBA-STGPIEFFSA-N 565.044 9.420 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]1(c1cccc2ccccc12)c1cn(CCCCCBr)c2ccccc12 961948494 HDZHIAKFWVSRAD-QVHUMGQWSA-N 771.756 7.343 50 1 KKGF FC(F)(F)c1cccc2c1[C@@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)NCC21CCOCC1 962955001 JZGYWKPEMDRMAY-HSZRJFAPSA-N 576.240 6.957 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1cc(F)ccc1Br)N(C(=O)c1ccccc1N)CC2 963137047 GAXOLVMOEQUOPW-VWLOTQADSA-N 578.276 5.525 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368780 UNJBTFJTOSNQJB-RPLLCQBOSA-N 590.392 5.894 50 1 KKGF COc1ccc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c(OC)c1OC 1772649938 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CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@H](CCO)[C@@H]2CC[C@@H]3[C@H](CC)N(CCCOC)CC[C@H]3[C@@]21O)C4 2356353836 CVJATYXTCFKNNM-ZDWNUHNJSA-N 979.177 5.647 50 1 KKGF CN[C@H](O[C@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 2356365623 OYJATYINNSCKGZ-ZXDLFBMOSA-N 649.831 6.864 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)[C@@H](O)C1 2356572350 YDULBHPBPJDLQZ-VJOSBWJGSA-N 845.100 7.083 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356851848 QKMQSQXGYXKHRJ-OVUYMFTPSA-N 735.444 8.982 50 1 KKGF O=C1[C@H](Cl)[C@H](c2cccc(Br)c2)N1c1c(O)c(Cl)cc(Br)c1Cl 1662033 FWVYSXLAUNTRDQ-NEPJUHHUSA-N 500.401 5.919 50 1 KKGF CN(CCCCCOc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@@H]23)cc1)C(=O)CBr 43920189 AQJBTJNBZIXXRR-KHQMGRTGSA-N 584.595 6.405 50 1 KKGF COc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)N/N=C\c3ccccc3[N+](=O)[O-])n2)c(OC)c1 49803103 XWBMRGLOINOBTA-MBTHVWNTSA-N 516.489 5.031 50 1 KKGF C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CNCC 85544290 GXWFAMSWGMOMCI-CVHVODJVSA-N 624.907 5.216 50 1 KKGF biogenic,in-vitro CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@H](C)C/C=C/4OC5=O)[C@@H]21 85571176 ZPSKDXFFIMYPAW-YESSEKNUSA-N 649.879 6.422 50 1 KKGF biogenic,in-vitro O=C(c1ccc(C[P+](c2cccs2)(c2cccs2)c2cccs2)cc1)c1ccc(C[P+](c2cccs2)(c2cccs2)c2cccs2)cc1 95551546 HEKBNHSATOBGAD-UHFFFAOYSA-N 769.018 10.275 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2cccc(Br)c12)=N/O)/C(Cc1c[nH]c2cccc(Br)c12)=N/O 95579741 LQJLLHDIVZIBNO-WXGDAXOSSA-N 710.474 5.234 50 1 KKGF C=C(O[C@H]1[C@@H](C)C[C@]2(OOCC)C(=O)/C(C)=C/[C@@H]3[C@H](CC[C@]4(CO4)[C@H](OOCC)[C@@H]12)C3(C)C)c1ccccc1 103541354 YFRWOSJDDKRGNG-WMNNVXSJSA-N 540.697 6.093 50 1 KKGF biogenic,in-vitro CCCCCCC[C@@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621833 KDEBQRHOJZQXGT-GNJRFXKQSA-N 737.460 8.859 50 1 KKGF C[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@]2(C)CC3(C[C@]12C)OCC(C)(C)CO3 221739100 MHFHYQGOAXDJGC-FKVXNAHKSA-N 506.803 6.547 50 1 KKGF CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 299847213 ZRKXDJVIRCCIJT-JQERTPCMSA-N 976.521 5.680 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@@H]([C@@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 299848976 YRZOFWYSUVSYSR-NEVCUFSCSA-N 620.780 6.496 50 1 KKGF CC(C)[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@H]5C=NN(C(=O)[C@@H](Br)C(C)C)C5)CC[C@]4(C)CC[C@]23C)C1(C)C 299856191 IONHQRMQXLCCTE-HVEQJTKQSA-N 780.771 10.283 50 1 KKGF CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)c3c2)cc1 586953861 QTLISVOYGKFNOL-UHFFFAOYSA-N 665.460 8.103 50 1 KKGF COc1cc(Br)cc(C=O)c1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586980134 KUDVMHMXLUDOGX-UHFFFAOYSA-N 566.140 7.145 50 1 KKGF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587166829 BDVYPLKRHZGRSV-HNNXBMFYSA-N 529.304 7.491 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587671009 NOYIKPCIVUWBAA-XOJPMGEXSA-N 512.261 5.744 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3CC[C@H]4[C@@H]5C[C@H]6OC(C)(C)O[C@@]6(C(=O)CCl)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 587717094 KMWMUUXUAJUMTN-KDTDGONISA-N 669.047 6.652 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Br)c2F)N1 587725500 QOMAVTPLVYHGTG-HUTHGQBESA-N 510.014 5.663 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)C(C#N)=C[C@]34C)[C@]1(C)CC2 587741792 PDBOAUQQSYJESI-HJBIIVGJSA-N 719.780 9.141 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 961750889 PYLYGLQTISFZBC-PMERELPUSA-N 602.400 8.332 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23c2[nH]c4ccccc4c2C[C@@H](C(=O)O)N3C(=O)c2ccc(Cl)cc2)C1 963016661 LLGVKAFSXAFTMJ-HBBDMIMASA-N 781.131 8.478 50 1 KKGF COc1cc2c(cc1OC)[C@]1(c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1)[C@@H](Br)C2 963020367 PJYBTVUKLPGXQR-NKQQYQHASA-N 595.877 5.553 50 1 KKGF CCc1ccc([C@]2(CCC(=O)Cl)c3c(ccc(OC)c3OC)CCN2C(=O)C(=O)c2c[nH]c3ccccc23)cc1 963806229 FXNPBUJPDYYRFW-JGCGQSQUSA-N 559.062 5.804 50 1 KKGF Cc1cccc2c1[C@@](CBr)(c1ccc3c(c1)cc(O)n3C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905121 WEQAHBOQJSMJKB-NFQMXDRXSA-N 543.458 5.467 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(OC)cc2)nn1 1857632478 SUKGDPHUFCNLGN-XODOALFESA-N 519.686 6.083 50 1 KKGF Cc1ccc(/C=N/NC(=O)c2ccc3[nH]cc(C(c4ccc(C)cc4)c4c[nH]c5ccc(C(=O)N/N=C/c6ccc(C)cc6)cc45)c3c2)cc1 1857635600 QGZFFHLXCJQGSV-XQPPAUJBSA-N 656.790 8.282 50 1 KKGF O=C(NNC(=S)Nc1ccc(F)cc1)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 1911576395 QSGIFEIYKOJPJG-UHFFFAOYSA-N 533.632 6.600 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356301366 VQQFSRWWXVYPTN-FNGPCBRZSA-N 931.323 8.950 50 1 KKGF CNCc1cc(O)cc([C@H](NCCCCO)O[C@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356355444 UMDASOIAISPYIL-FRQQJOPASA-N 734.981 7.755 50 1 KKGF C=C1C(=O)O[C@H](C=C(C)CCC=C(C=O)CC(C)=C[C@@H]2OC(=O)C(=C)[C@@H]2CCC(C)=O)[C@H]1CCC(C)=O 2356661680 LNBUXSXUGOZNBS-BPXGVECKSA-N 510.627 5.109 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356765781 OKJNXNRPQNRJBB-BDBPGYHESA-N 737.163 12.976 50 1 KKGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356774872 FEPKNFMKQWQQQL-NCVGOYRPSA-N 531.832 5.831 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356775349 KIFFLFCZYGUARK-LLBODCRSSA-N 934.315 8.289 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H](CN2C=CNC2)SSC1 2356810730 BAXOEYXEVQMVQJ-WEWKHQNJSA-N 594.803 5.792 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](CN2C=CNC2)(CCN3)SSC1 2356833943 JYUGJPNTKOXWDB-BGOLNKOXSA-N 594.803 5.474 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CCCC[C@@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356843727 NOROEOPXIXWYPQ-WDGKENNHSA-N 968.336 7.327 50 1 KKGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(OCc2ccccc2)c2[nH]cc(C)c32)n(C)c1 1653505 XVTRMGSERVBUFQ-LEQVUBRHSA-N 545.083 6.515 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl 27202727 PNZLTIGTYFXMMM-TXJYCBAHSA-N 703.660 5.079 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCCCC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145556 MMUDVQAASAQWRJ-RDDHDUOWSA-N 558.807 7.218 50 1 KKGF COc1cc(N[C@H](C)CCCN(Cc2ccc(N(C)C)cc2)C(=O)C(Cl)Cl)c2ncccc2c1 49766576 XLVJHYBTALSUFK-GOSISDBHSA-N 503.474 5.723 50 1 KKGF Cc1nc(-c2ccccc2)sc1C(=O)COc1ccc(/C=N\NC(=O)Cc2csc(-c3cccc(C(F)(F)F)c3)n2)cc1 66098772 JYKWWBFXFJBFGQ-NKHVPTTDSA-N 620.678 7.215 50 1 KKGF Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3C[C@H](Cl)c2ccccc2)c1 71296640 UWCATRMYQSEPKR-QFIPXVFZSA-N 529.497 5.628 50 1 KKGF CC1=C(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 84617181 DSNDKLDWEUPORK-UHFFFAOYSA-N 503.602 6.937 50 1 KKGF CCCCCCN(CCCCCC)c1ccc(/C=C(\C#N)C(=O)OCCCCCNC(=O)c2cc3ccc(OC)cc3oc2=O)s1 84652182 GCHPPFAFHDWQAD-WEMUOSSPSA-N 649.854 7.881 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 95577471 RTXKTKRGKVRWLV-WNUOPADZSA-N 557.569 7.754 50 1 KKGF CCCCC[C@H](C[C@H](C)O)C[C@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@@H]2O)C3 150349128 LGVKOHCUISNANV-DXLIWUGNSA-N 959.308 9.910 50 1 KKGF biogenic,in-vitro CNC1(c2cc(O)cc([C@@H](Cc3ccc(O)c4c3CSSC[C@@](C)(O)CNCO4)C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCC1 150349819 FIQPMHUHMWQZTB-IAUUOGDRSA-N 945.237 8.979 50 1 KKGF biogenic,in-vitro CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)O[C@@H]5CC[C@@]6(C)C[C@@H]7C=C[C@@]6(OO7)C5(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169299807 ROBCWKFPUJQMPN-SQTXFWKPSA-N 636.958 10.774 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCCCCCBr)c1=O 196185515 VPALZKPELNHXHI-RQJGXFNESA-N 766.945 5.872 50 1 KKGF CCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 254058090 ZHVQBIHGGSQOSC-BRIBCXSASA-N 590.710 5.324 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)/C=C/c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299854520 ACDMVTUFRXNZTM-KZLZZLGBSA-N 570.858 9.468 50 1 KKGF CCCCc1cc(=O)oc2cc(OCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc12 586917987 GQTJZYPCWOVLOD-UHFFFAOYSA-N 553.347 8.011 50 1 KKGF COc1cccc(/C=C/c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 587004850 ZQXFDYNIXNBIDX-FNORWQNLSA-N 661.288 10.140 50 1 KKGF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587227036 IHLTXSCHUGMZHN-UHFFFAOYSA-N 543.312 5.525 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(Br)c2Cl)[C@@H]1c1ccc(F)cc1 587328207 BKXFWKMKFPPOCX-XMSQKQJNSA-N 558.600 6.736 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 587339685 ZGNCTBOLTUGVGL-IFMALSPDSA-N 524.155 6.082 50 1 KKGF CCCc1c(O)ccc2c1O[C@H](c1ccccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)CC2=O 587486047 LCQXDXKWZBRMIS-YTTGMZPUSA-N 522.625 7.043 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Br)c1F 587566816 BFJKKPBNHXBNCJ-UTKZUKDTSA-N 508.137 5.546 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 587672402 FSTMHJUAZHTTMG-SGANQWHYSA-N 610.159 7.006 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@]2(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)N1 587691230 DMOFRUVUQAGCKK-CWRJXFJKSA-N 735.518 7.631 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 587710643 GTSYSTMFFFXAKN-VVVCHXIZSA-N 515.570 6.433 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962703430 CSVDPEQGMXMDIQ-FSFIJCMOSA-N 764.667 7.693 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CCl)(Cc2ccccc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962722313 YMKUOFZQELYOSE-IKYOIFQTSA-N 630.135 6.480 50 1 KKGF COc1cc(F)c([Si](C)(C)C)c([C@@]2(CCCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963184330 RBDAWLBKRBRMCB-KNQAVFIVSA-N 538.441 5.523 50 1 KKGF CCOC(=O)N1CC[C@]2(c3cc(O)ccc3C[C@@H](C(=O)OC)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](Br)C1 963367137 MUWSTXWIEMPJCT-FBXLTAPESA-N 649.538 5.562 50 1 KKGF Cc1cc(N(CCCl)CCCl)ccc1[C@H]1c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963903628 CCEVVCPINQVKKL-GJZUVCINSA-N 535.512 6.313 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCN(C(=O)OCc3ccccc3)CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857547135 NMGPWFJPUJPVKR-BQCHXNBLSA-N 735.963 6.049 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356291811 AUMHMUDTFLABBE-QARNFRKPSA-N 825.155 7.218 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCC[C@H](C(=O)O)S(=O)(=O)O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2 2356342798 GQSPYHXXAXFCRB-IYXXPDRJSA-N 978.602 5.186 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCC4(C[C@H](O)CO)CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356350915 MJRCPVFEGZWOQX-OVKMFJHJSA-N 934.234 8.070 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@]35C 2356354590 NBALYTNGTUZSEA-ZPTUZEAQSA-N 878.207 6.383 50 1 KKGF C[C@]12CC[C@H](O)[C@@]34[C@H](O)CC[C@]5(C)CC[C@@H](SSC[C@H](Cc6ccccc6)C5)[C@@H]5CC[C@H](Cc6ccccc6)C[C@@]56CC#C[C@@](C)(C[C@@](NN[C@@H]5CCC[C@@H]51)(OC6=O)[C@H]23)[C@]4(O)CCC1=CC(=O)OC1 2356355260 DAYFLJGMYMLYNJ-OJMUUSIJSA-N 977.387 9.677 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356373386 YTOVLUFKVNKJON-GUUNFRCQSA-N 889.282 9.753 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@H](C2CCCCC2)Cc2cccc(c2)C1 2356563911 DUEACDWPNQVCIJ-BTJUIPFNSA-N 743.086 7.103 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@H]4C1=C1C[C@@H](CC#CO[C@H]43)CC[C@@H]51)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356774946 FVMMVESVLZSFHQ-PPWFCBPOSA-N 825.194 8.875 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NCSSC[C@@]67C(=O)c8c(cccc8C(=O)[C@@H]6C=C(Cc6cccc(CO)c6)C=C7O)O[C@H]6O[C@@]7(CO)C=C[C@H]([C@@](O)([C@@H]6O)[C@H]7O)[C@]41[C@@H]2CC5)NC3 2356843814 NPSTZRKDLCDZIR-RDVLYXHSSA-N 949.157 5.139 50 1 KKGF O=C(c1cc2ccccc2o1)[C@H](Br)[C@H](Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 64448660 QMZKMWLCCZFRDO-CLJLJLNGSA-N 590.271 8.114 50 1 KKGF Cc1ccc(C2OOC(c3ccc(C(=O)NCCCNc4ccnc5cc(Cl)ccc45)cc3)OO2)cc1 72175580 RBORRDAYLRBIJO-UHFFFAOYSA-N 519.985 6.036 50 1 KKGF O=C(CSCC(=O)N/N=C/c1cccc(OCc2ccccc2)c1)N/N=C/c1cccc(OCc2ccccc2)c1 73329512 MACCMASBYGPPRL-ZXHXELASSA-N 566.683 5.178 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCCC2)c1O 85567788 AITCVLAQXITDRU-TVJWLIGYSA-N 708.939 8.275 50 1 KKGF biogenic,in-vitro CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO[C@H]1O[C@@H](CO)[C@@H](OO)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC 85591343 JHUJPKVBFXKXPT-GCXUOYLBSA-N 795.108 9.382 50 1 KKGF in-vitro COc1ccc2c3c1O[C@@H]1[C@]34CCN(COOC(C)(C)C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@H]([C@](C)(O)C(C)(C)C)C2 95541858 VPMKSGYBBBNUDA-LSIMYGPISA-N 529.718 5.011 50 1 KKGF COc1ccc(/C=C/C(=O)c2ccc(OC)c3c2OC(C)(C)C=C3)cc1OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 95587197 OEQAHZZKNIDYLH-XNTDXEJSSA-N 652.615 7.996 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H]5CNC6(CC#C[C@@]7(CCC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 150346759 ATLHDMJMMBWTEW-LETUAUOJSA-N 912.265 8.232 50 1 KKGF biogenic,in-vitro C=C(C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C[C@@H]1O[C@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169358348 KOUAFSJVPQQUPD-OUONFYINSA-N 588.782 6.824 50 1 KKGF C/C1=C/CC/C(C=O)=C/[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C\CC1 195343094 XJBILGKCOVAJTM-YZFWUAARSA-N 527.573 7.137 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 257398040 COQAPWLZSHQTKA-UOCJHMIYSA-N 544.644 5.627 50 1 KKGF endogenous,in-man C=C(CCCC(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](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 299820196 GHKZTZQXOVCKSZ-LWXWOMNKSA-N 537.225 7.290 50 1 KKGF Cl[P@]12=NP(N3CCC4(CC3)OCCO4)(N3CCC4(CC3)OCCO4)=N[P@]3(Cl)=N[P@]4(=N1)N(CCCN4Cc1ccccc1O3)Cc1ccccc1O2 299827928 PABFCMWXUDTEQB-JMRUPYPPSA-N 817.529 9.133 50 1 KKGF Cl[P@@]12=N[P@]34=N[P@](Cl)(=NP(N5CCCCC5)(N5CCCCC5)=N1)Oc1ccccc1CN3CCCN4Cc1ccccc1O2 299837939 SVUNEDNNMDTNKI-DMRUGVJZSA-N 701.457 10.427 50 1 KKGF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1C 587165500 CJPSONRZAJAMIM-UHFFFAOYSA-N 517.495 7.556 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCOCC3)cc2)[C@H]1c1ccc(F)cc1 587321062 HYWJXVWFOZHRND-AZGAKELHSA-N 512.375 5.017 50 1 KKGF COc1ccc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc2c1 587322845 PFBPIHTWJUWQBD-XNMGPUDCSA-N 507.355 6.342 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587324691 STOUHMQPSZJXQA-JNQIMCCTSA-N 531.967 6.040 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 587331911 KLPUSSUGCRTSOV-XQCHEJHUSA-N 683.188 6.963 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587546630 XALXLROQUAUDST-SVEHJYQDSA-N 517.965 5.682 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(F)cc1 587569672 IVSZWYMFAKPXNA-GGXMVOPNSA-N 505.973 6.288 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3cc(F)ccc3O)c(CCCl)c2c1 587620278 UDMDTEZIMYJZAQ-UHFFFAOYSA-N 519.938 5.179 50 1 KKGF COc1cc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720807 UZEVLPSFYJRJOE-APBUJDDRSA-N 509.160 5.371 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 587855245 IIURLHKNWXEOOY-BSNNYGBQSA-N 510.413 5.513 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@H](c2ccc(Br)c(CBr)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962569004 JDQYLHQMAIRWGL-GGXMVOPNSA-N 666.341 7.228 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cc(C)n(CCC(C)C)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682375 ZWRQJYCEATZXJR-PMERELPUSA-N 577.087 7.368 50 1 KKGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963006769 BSAOMCLGUPHPTL-XCTYOCKRSA-N 564.469 5.653 50 1 KKGF CC[C@@H](Br)[C@]1(c2ccc(OC)cc2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039422 NXUJQLJXJIWKHX-WAINPOFTSA-N 662.527 7.651 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CCCCCl)(c2ccc(F)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041174 QQOMXJLFVJQNGY-FHPVIJFVSA-N 638.057 8.156 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2ccc(I)c(C(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963081815 UQMAJMDNGFBORP-AEGYFVCZSA-N 948.463 9.905 50 1 KKGF Cc1cc([C@]2(CCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1ccc(OC(F)(F)F)cc1 963147042 NSWVRNVPNFFJKT-NBGIEHNGSA-N 586.032 6.178 50 1 KKGF N[P@](=O)(OCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl 1772617375 NSRXPGZCZVRKGV-UMSFTDKQSA-N 550.786 5.798 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCn4cc(CNC(=O)CCCC[C@H]5CCSS5)nn4)cc3oc2=O)cc1OC 1857634270 HDMGQLXNTODMRP-VWLOTQADSA-N 624.785 5.868 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@@H](c2ccccc2)CC[C@]32C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356366600 MSJXOGJMFUVSRA-BQKZEBIJSA-N 951.353 10.317 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@H]12 2356400168 RTYDIEHCGAISFJ-YBUUYBLCSA-N 692.978 9.298 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CCC[C@]3(O)CCC(=C(C)C=O)[C@H](CCCO)[C@@]23[C@H]1O)CCC=C(C)C 2356489035 HUBIYDMTGAHBSA-QGYPRGEPSA-N 512.731 5.360 50 1 KKGF COc1cc(O)c(C=C[C@@H](C[C@H](CCc2ccc(O)cc2)OO)c2ccc(O)cc2)c(O)c1C(=O)C=Cc1ccc(O)cc1 2356693308 FQCSWJOXGNZGMF-SVEHJYQDSA-N 598.648 6.797 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356694106 WAHQSNSYGMSFJO-SIOHVPBBSA-N 767.155 8.484 50 1 KKGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356772597 CRPWEBPOIQAQIA-HRRJPKNJSA-N 616.836 7.273 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@]1(C)[C@H](Br)CCC(=CI)[C@@H]1Cc1cc(Br)cc(I)c1O 2356803315 WXXULYIEJCRYJU-FRHBMVIGSA-N 980.965 11.099 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356827771 IPHYYBAICKGLSP-LGWSIORHSA-N 924.151 7.654 50 1 KKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(OC(F)(F)F)cc1 27734589 ACVBJOZEKSRNDC-XKJRVUDJSA-N 524.879 5.304 50 1 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 49942530 CIOJAMZWKYLIDE-UHFFFAOYSA-N 635.746 5.326 50 1 KKGF CC(=O)[C@]1(C(=O)Nc2ccccc2)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] 150362008 MUEYPBLEVLUFOA-UQBPGWFLSA-N 652.755 5.636 50 1 KKGF CCCCC1=C(Br)[C@@]2(OC1=O)[C@@H](Br)[C@H](Br)[C@@]21OC(=O)C(CCCC)=C1Br 162127686 DFESJTKMRBQMAZ-LBTBCDHLSA-N 619.970 5.797 50 1 KKGF CCC1=C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@](O)(CNC(=O)OCCBr)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 169361188 RAAJZGPFHTUEHC-RSTNLGMJSA-N 914.939 5.744 50 1 KKGF COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 238749877 CLZXVJIVXLPLPS-UITGYBSKSA-N 672.242 7.874 50 1 KKGF CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 299819685 BDIQBBZMHANHTF-OQRWROFFSA-N 556.615 5.814 50 1 KKGF CCOc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Br)c1OC 586978655 ZUQBQACSBFRUQM-SNAWJCMRSA-N 578.195 8.323 50 1 KKGF Cc1cc(Br)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 587190219 JWUODEOKMCXCQF-MYVFZZCKSA-N 654.690 7.666 50 1 KKGF NC(=O)c1cc(N2CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)ccc1[N+](=O)[O-] 587263332 RODSJFKEEVRKTN-UHFFFAOYSA-N 570.338 6.374 50 1 KKGF CC(C)(C)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O 587323576 RWLRLNMBCZIISD-RNAHPLFWSA-N 555.484 7.481 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 587324310 XTEAGCKKMFLIJL-RJZKYMFLSA-N 501.348 5.586 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1OC)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O 587492712 BQLJTGXVHOQDSH-LJAQVGFWSA-N 540.081 6.380 50 1 KKGF Cn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl 587547355 ZOVKTEULZQEOJR-LAUBAEHRSA-N 515.176 5.380 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 587672908 IUVIMDOYNAWIPR-IQMFZBJNSA-N 517.240 7.176 50 1 KKGF Cc1sc2c(c1C)CCN[C@@]2(CBr)c1cccc(I)c1Br 963013682 RXUOZBBZCVNCJW-INIZCTEOSA-N 541.090 5.516 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(Cl)c(Cl)c2)([C@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 963225228 CXCWNGIHCCCIBR-RELGLDOUSA-N 594.709 7.181 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@H]2c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)c1 963550120 KGTKOWCWBUOMOJ-MHZLTWQESA-N 748.636 6.882 50 1 KKGF COc1ccc(/C=N/NC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)cc1 1772601721 VCDWWWKAWOOZAB-NRWSVFHRSA-N 550.978 5.498 50 1 KKGF Cc1c(Cl)c(=O)oc2cc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)ccc12 1857632669 PBDPTLJRXPMVEM-QJCKCDEOSA-N 521.006 5.358 50 1 KKGF CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 2356364181 UXXONGHXTCMBAS-MWHRVESMSA-N 970.267 9.627 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)C1(CC=C(C)CN[C@@H](C)CCOC)CCCC1 2356370983 VJTCLUVVYOVFJI-RBBPNIAFSA-N 685.003 5.725 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@]13CC[C@@H](C[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)[C@H](C)CCSS3 2356418528 LMMNQEFKHMLCLB-ZIESBIOHSA-N 732.917 6.424 50 1 KKGF C=CC=CCC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CCC=C(C)C(C)=CC=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@H]2CC[C@]1(C)O 2356452966 JPBOABGEVHVPNM-RERSSUROSA-N 656.901 6.476 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@@H]2C=CC[C@H]3O 2356554671 VINHIYDMZWIQQJ-BJCKRCOVSA-N 986.355 6.113 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@H]1C)N43 2356630887 IFTLASPLOLUKEF-OTPZNPIGSA-N 601.875 6.960 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356775347 KIFFLFCZYGUARK-IRHQAGLCSA-N 934.315 8.289 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@H]2O)CCC=C(C)CN[C@@H](C)CCOC 2356780115 LMPNKBJHSNHPPL-RYRQSNSMSA-N 656.949 5.089 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356825878 HUSJSDHMAJXKSB-CLTMCMKWSA-N 773.079 5.574 50 1 KKGF CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@]2(C[C@H](O[C@H]4OC[C@@H](O)[C@H](O)[C@@H]4O)CC[C@]12C)OO3)C(C)C 263591272 SKTNUBYPBAJOEK-LXRMHBPVSA-N 574.799 5.327 50 3 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@@H]2O1 263591627 LYTCVQQGCSNFJU-PCMYXLSBSA-N 895.096 5.472 50 3 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 28635757 GTNWJJTZQLWLEN-IULTZZOBSA-N 739.778 10.220 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNC(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 49813706 QDNYGRJDRIMPOK-OSCSMZMBSA-N 633.823 5.774 50 1 KKGF COc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3c(C(=O)NCCN(C)C)cccc23)c1 49898245 WJQODUHWGVZOOE-UHFFFAOYSA-N 688.660 7.360 50 1 KKGF C[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C1 58592013 WKPXZZKUCLAECJ-KFCUGCEISA-N 706.619 11.307 50 1 KKGF Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2)ccc1[N+](=O)[O-] 73278894 NNGASWAALMEXJF-MEWQITQSSA-O 560.074 5.951 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(OC(=O)C(C)(C)CN)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 95540110 KPTCSAAFHRHVCA-CCZPJBLKSA-N 820.808 5.215 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl 95549405 HFBVJCULYWSBPU-DNQXCXABSA-N 763.719 8.698 50 1 KKGF CN(C)c1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 98082869 MUESLDZSZOZVGG-VBRIKPQRSA-N 546.647 5.194 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(COC(=O)c3ccncc3)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169365234 QPNLRZTXRIDAFS-UOLVZHPJSA-N 711.893 7.136 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 253665223 ACRMTHSZHIGDGF-VRFSRHMTSA-N 655.380 9.155 50 1 KKGF CCCCCCCCCCCCCCCCCCOC[C@H]1O[C@H](OO)C[C@@H](OCCCCCCCCCCCCCCCCCC)[C@H]1OCCCCCCCCCCCCCCCCCC 473125481 PVBWSAITTVKBGM-DPQQKFGISA-N 937.614 20.163 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)c(Br)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191688 VGTMVTVUFQGCCZ-IROVJIRSSA-N 719.559 8.120 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587327457 GQNCYKPOIAEKRX-IFMALSPDSA-N 513.256 6.339 50 1 KKGF COc1cc([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720815 UZEVLPSFYJRJOE-GIGQVBGESA-N 509.160 5.371 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962475570 OPUOOFRURDAQMD-CUJVHAHTSA-N 639.001 6.464 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)[C@H]1CC=C[C@@]21N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761188 GZKOHIFTGWLWPU-GQDBBVAHSA-N 681.828 6.931 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)NCCc1ccc(C(=O)N(C)C)cc13 962927892 FDSJTBKEGKJGCZ-OEMJCNOWSA-N 653.235 5.875 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]31CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 963055682 KTXGZGHSFWLVRA-NEKDWFFYSA-N 519.432 5.837 50 1 KKGF O=C(COc1ccc(N2C(=O)[C@@H](Cl)[C@H]2c2ccc(Cl)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911581703 WRJKYWYSPPUGBU-AMEZJNANSA-N 657.558 5.273 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@H](C)C6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356351417 XAWNMPQKIHIXGV-FKFKHHQRSA-N 860.145 5.849 50 1 KKGF C[C@@]12CCSS[C@]3(CC[C@@H]4C=C(O)C=C[C@@H]4C3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356352482 UXKAWYGZIMOSES-SUYNWGGHSA-N 641.944 6.048 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(c5cc[nH]c5)C6)[C@H]4[C@@H]2O)O3)c1O 2356359230 GOIOYSPHJZPEHE-BSALAKQXSA-N 948.260 9.628 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNc3cc(ccn3)C2)CCCC1 2356426092 POEXFCCHSZDDPU-RRZZOUDTSA-N 630.876 8.296 50 1 KKGF COc1cc(O)c(C=CC(C=O)=CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@]23CO3)c(O)c1C(=O)C=Cc1ccccc1 2356480969 XVSYISZBIBMIMY-LGPNGYOUSA-N 570.726 7.543 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356595090 SCUUADLDRYTZTM-DVLKIBPOSA-N 723.011 5.875 50 1 KKGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)CC2=C(Br)C[C@@H](Br)[C@H]1O2 2356617278 WWWLGURLJAZMJB-YJKWVQJCSA-N 503.456 5.550 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CC[C@H](Br)C(C)(C)Cl)[C@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(Br)cc(Br)c1O 2356672649 RWUQIKIJRXVZFL-BNJVJVPMSA-N 718.634 10.173 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H]4c5cc(ccc5CO)[C@H](CO)SSC[C@@H](CC5=C6C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]62CC5=O)C[C@]31NC(=N)NC[C@@H]41 2356710348 AUMUMUAOLRSZOO-OZRUUBAHSA-N 774.153 6.200 50 1 KKGF C[C@H](O)CCC[C@@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356718637 BHNGAEWWSREPQU-FUNAMKOVSA-N 874.182 9.347 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@@H]1CC[C@H]1SSC[C@]34C[C@H](C[C@H](CCCCNC(=N)N3)C4)Oc3cc(ccc3O)C[C@@H]12 2356765088 NLSIGIRJSIRJMS-XDJBSKATSA-N 819.059 7.198 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356862176 UXPHRPGUJZEXIR-RSTGRMBJSA-N 933.339 8.618 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)CC5=CN[C](N)C=C5[C@@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@H]43 2356865100 FJSBGUVFNGCHTL-BSOOPQGYSA-N 670.833 5.093 50 1 KKGF O=C(Nc1ccc2ccccc2c1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8018874 JTUINJHDTNXECT-OWHBQTKESA-N 516.581 6.674 50 1 KKGF aggregator COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl 27202337 ZOLUFDDEWAHRJM-UGGCIUCTSA-N 731.714 5.859 50 1 KKGF CCCCC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@H](CCCCC)NC(=O)c1ccccc1 36176393 WYMWGQYFGRDOEW-NSOVKSMOSA-N 564.767 6.866 50 1 KKGF COC[C@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 49823267 CYDIIQJNDGNGOH-XTYUIEAPSA-N 638.795 5.451 50 1 KKGF CC1=C(OC(=O)CCCC[C@@H]2CCSS2)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@@]21C 53295214 XIKILYNHNAGATH-YZOHXTSASA-N 638.936 9.397 50 1 KKGF COc1cc(CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCc2ccc(O)c(OC)c2)ccc1O 82178387 ZQLIHLFWNQYXJE-UHFFFAOYSA-N 705.040 9.451 50 1 KKGF NCC[C@@H]1CC[C@@H](C/C=C\CCC2CCCCC2)[C@H](Cc2ccccc2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 85505552 RMKOUIASISYAKQ-GZKGYMOYSA-N 621.997 10.132 50 1 KKGF biogenic,in-vitro CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O 85768364 CSWYLIDLQDJVCQ-BBWWVYBGSA-N 568.795 8.133 50 1 KKGF in-man C[C@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O 95608189 KQQDTKLGLAIGOF-OGPPRHBJSA-N 808.668 11.004 50 1 KKGF CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C 169291990 QSBKSFLMMQOILO-JVDFBSCCSA-N 534.693 7.064 50 1 KKGF CCN(CC)c1ccc2cc(C(=O)N3CCN(CCC[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)CC3)c(=O)oc2c1 207755889 VIZSFKQSAKDYIP-SLMMTHJGSA-N 637.818 5.428 50 1 KKGF O=C(O)/C(=C/c1ccc(I)cc1)SS/C(=C/c1ccc(I)cc1)C(=O)O 263620974 RLKZEUBAGNQDNM-CKOAPEAFSA-N 610.232 5.828 50 1 KKGF in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299818542 SBWFAIGFKMBQFX-YNGAPSEGSA-N 798.421 5.306 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(-c3ccccc3OCc3ccc(Br)cc3)[nH]c2c1 586998906 RVPICSHVUCWHRZ-UHFFFAOYSA-N 505.306 8.229 50 1 KKGF O=C1C[C@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 587003338 KCEHAWDFIPXVIG-QMMMGPOBSA-N 562.152 7.381 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc4ccc(Cl)c(Cl)c4n3)[nH]c2c1 587082715 CRZUFYMWSARRQK-UHFFFAOYSA-N 519.120 8.505 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 587325404 DXPAKWNERBVGIV-AKGWNBJDSA-N 592.019 6.005 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 587340880 WBUCMYFWSYTXNT-PYOMVDFTSA-N 684.586 7.939 50 1 KKGF CCC(=O)O[C@]1([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587552538 AIRAHYLRTLWNDN-ZUYSZGMBSA-N 679.181 6.640 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1OC 587854137 QDOZFLFPLMFWFP-GQTFGIAHSA-N 550.881 6.005 50 1 KKGF CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)C[C@]23c2ccccc2C[C@@]2(C4CCC4)C(=O)NC(=O)N32)N1 962647134 USTZAGYLFVMKTM-VFRQKDATSA-N 562.670 5.516 50 1 KKGF CC(C)(C)c1nn(C(=O)CCCCl)c2c1[C@@]1(c3ccccc3-2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962712841 NDCYRNURXLGDHH-QTEAWJPNSA-N 538.132 6.615 50 1 KKGF Cc1cc([C@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)c(C)n1-c1ccc(F)cc1 962976658 XQQGKSMJUOMQJW-YZHDILFSSA-N 651.518 6.328 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CCl)c1c(-c2cccc(Cl)c2)[nH]c2ccccc12 963072203 XMZJHLVNMSMDEH-IYKVEEHISA-N 634.560 7.449 50 1 KKGF O=CC1=COc2c(Cl)cc(Cl)cc2[C@]12c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963087962 NBAKDVZOJZSBJZ-HCJVMEMPSA-N 632.543 8.016 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N5C(=O)OCC1c2ccccc2-c2ccccc21 963234034 LKGILABGOGJHAT-RCRLHIEGSA-N 996.850 8.978 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](c2c[nH]c3c(CC)cccc23)([C@@H](Cl)c2ccccc2)N1C(C)=O 963316890 ODYCZFIHEVSTKW-OBOSXGBYSA-N 851.378 7.757 50 1 KKGF Cc1cccc2c1[C@](/C(C#N)=C/c1ccccc1[N+](=O)[O-])(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852257 BZMDUGPOUPEWSK-BFFCKNSHSA-N 533.625 6.388 50 1 KKGF C[C@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857572026 WETIBOAWVAXBJA-INIZCTEOSA-N 510.359 6.040 50 1 KKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCCc2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)c1 1857650632 LEHNHUFMDPHHSE-UHFFFAOYSA-N 523.810 6.603 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356365146 GDMACCFXIAJTKG-HGUJINHUSA-N 653.999 6.548 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@H]1SS[C@H]3CCC[C@@H](CC[C@H]4Cc5c(c(OC)cc6c5[C@H]1[C@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 2356366520 KUXUQRRZGJUVTH-UGGKDSJYSA-N 672.865 7.671 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H](c4ccccc4)[C@@H]4CNC(=N)N[C@]34CCCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356402268 CTPWPCXVZBRUFH-NCVSQBJXSA-N 623.929 6.053 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356493346 PCDHKDBACXMISM-DPTKIOMMSA-N 910.257 5.331 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCN[C]7C=C(C=CN7)[C@@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356521735 KCRDPIYPWRWPIU-YKINBCLWSA-N 689.964 7.757 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@]5(CO)C=C[C@@H]6CC[C@H](O)[C@]67CN(C(=O)[C@@]357)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356537556 WSPDSDQYYDWCTM-WDTWSWTQSA-N 988.319 6.009 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)CCC=C(C)C 2356686700 PHUVQXFPKGYDKS-VLGXOXMCSA-N 557.816 5.604 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1cccc(C2CCCCC2)c1 2356773269 VGJUBNOVYDHLBE-DCQFPCKCSA-N 680.037 7.398 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 2356774165 RXTSWHPBNFDLNN-JDONSAERSA-N 706.879 6.034 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](Cc1ccccc1)C1=CC2=CN[C@H]1N 2356838527 MATAZTRFYLXIFL-QKCIIYFBSA-N 602.822 6.475 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@]12O)[C@@]3(C)[C@@]12C[C@@H]3Cc5cccc(c5)N[C@H]([C@H](C)O)CSSC[C@@H]3[C@H]1CC[C@H]4C2 2356856282 RZJVIQQDROCCFS-IGLBYPKTSA-N 597.887 5.835 50 1 KKGF Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1c(Cl)cccc1Cl 45354316 OUWGQIQTCUKTEV-ORBVJSQLSA-N 501.723 6.877 50 1 KKGF O=C(NNC(=O)C1(c2ccc(Cl)cc2)CC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1 49746259 AXWUMKBQZZWDTH-UHFFFAOYSA-N 641.346 6.286 50 1 KKGF C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C 85544733 MADNRNGLRBRRDV-VMPBZBDWSA-N 556.828 6.919 50 1 KKGF biogenic,in-vitro CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C(C)C)cc1 586933498 SZHNIAWQABUNCK-LJQANCHMSA-N 526.553 5.532 50 1 KKGF CCOc1ccc(/C=C/c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cc(Br)ccc3n2)cc1 587003313 QXLDFDDNPHGZEK-FPYGCLRLSA-N 528.410 5.713 50 1 KKGF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587072296 QLWCBGLAFAHWCM-TWWDRGBLSA-N 562.229 9.656 50 1 KKGF COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)nn1-c1ccccc1F 587156332 LHFOVELECKROBM-UHFFFAOYSA-N 513.261 6.983 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21CC(=O)c2ccc(O)c(CCC)c2O1 587459658 OSEGCYUOICZAPN-LMSSTIIKSA-N 513.516 7.818 50 1 KKGF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587496991 HBNKRAIVZIVZFL-MGRYTMSRSA-N 553.140 6.523 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587540001 ZFLBPSHZBFKTPW-PWUYWRBVSA-N 521.451 6.993 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2sccc2Br)cc1 587610631 DAVCULIZEPAYOV-SQJMNOBHSA-N 572.274 7.135 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 587683360 GPHPDMZEQLXMIT-QJQUAVMFSA-N 511.863 5.693 50 1 KKGF CCC[C@@H](CC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781064 DCDXWTUSPYCUNP-SFHVURJKSA-N 595.472 9.344 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587858723 SYEKIZHONKEDBE-RXAIFQJESA-N 577.947 6.541 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)NCCc2cc(C)c(F)cc21 962089640 HNOVVBVXBSJZSI-AXHUCQJMSA-N 659.937 7.170 50 1 KKGF COc1cc2c(cc1OC)[C@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674751 LPNNGTPXMMRYRO-HPGBDJQBSA-N 561.000 6.250 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCl)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C 962991481 IXFYPZYGHFKAOK-DLLPINGYSA-N 633.594 5.275 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc3c(c1)OCCCO3)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772832 AOBQHPXTZNXMOO-WJOKGBTCSA-N 605.485 5.253 50 1 KKGF Cc1cccc2c1[C@](/C(C#N)=C\c1ccccc1[N+](=O)[O-])(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852259 BZMDUGPOUPEWSK-PTYIZDONSA-N 533.625 6.388 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356350887 MAJUCGJMABFGIR-XWXQERSBSA-N 811.161 7.142 50 1 KKGF C=C1C[C@]2(CC[C@H]([C@@H]3CC[C@@H]4CC[C@H](O)C[C@]4(O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@H]2CSSCc3ccccc3CC[C@H](c3cccc4cocc34)CNC(=N)N2)C1 2356360305 CRULUGJYGFUFIZ-LZEOEWGGSA-N 906.356 11.962 50 1 KKGF COc1c(O)c(OC2CCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 2356367432 CUJBFBCJBHBMIL-GVMOOEQESA-N 760.971 7.347 50 1 KKGF CC[C@H](C(C)C)[C@H](Br)[C@H](Br)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356494871 VIGXEFRKXGTJRB-XZOQOEDQSA-N 774.355 10.313 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)CC=C(C)C 28656257 AWDAFDZLUZUOKI-XIIXPMLZSA-N 585.122 9.536 50 1 KKGF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@@H](N(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c2cc3ccccc3nc2-1 49833202 LXTRNFUNIUADTQ-NWWLCHBLSA-N 646.656 5.058 50 1 KKGF CCCCn1nc([C@H](Br)CCC)n(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1=O 95542051 FILCPVIRXAZFND-LDLOPFEMSA-N 752.761 9.290 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)c2ccccn2)C1 169851894 USWHBYHBYFGYTM-BAEWPNFUSA-N 511.867 8.338 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054679 HRNKUJWVBSGXOP-AUWJEWJLSA-N 504.190 7.243 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(Cl)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054714 HWBBOJBKZNHSBW-VGOFMYFVSA-N 520.645 7.757 50 1 KKGF CC(=O)O[C@]1([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587326502 LQIVOTNZGOEVLH-DIOLXCSHSA-N 681.628 8.290 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543091 ISNLHIQHNLTYMZ-QONNDPFASA-N 509.986 5.673 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587687497 GZUIAKMLUJNGTR-OLRZCDJHSA-N 571.922 5.810 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl 587688003 JLEBCRARRHKTPP-MYODQAERSA-N 530.696 7.319 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)([C@H](Cl)C(=O)c2ccccc2Cl)N1 587689253 RFJKDHDCYAONOP-SHAMJUJCSA-N 541.675 7.163 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962472441 GZRHJADQRIVORB-XERVTFIWSA-N 733.615 7.249 50 1 KKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@@]2(CCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962646721 TXMZMMBARRQGIF-AJQTZOPKSA-N 540.063 6.363 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCCCCl)(c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680494 PLHVXGKNBQNKRO-GDLZYMKVSA-N 546.029 7.464 50 1 KKGF Cc1cc([C@@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1CCc1ccccc1 962952419 HOCOGKNCZAGABV-NDEPHWFRSA-N 517.035 6.500 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]12[C@@H]1[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br 962983198 CCLMLPZLDXDEGA-HOSMBQFLSA-N 677.817 5.448 50 1 KKGF Nc1ccc(S(F)(F)(F)(F)F)cc1[C@]1(c2ccccc2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963009239 DNWNEWVZRMHHFT-DLFZDVPBSA-N 648.053 8.505 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963036900 PJTRLNMWLTXRRV-UYHPJTEGSA-N 646.090 6.272 50 1 KKGF O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 1772590337 DHVYOQJAIUYUNV-UHFFFAOYSA-N 577.081 6.914 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H]2C=C[C@@H](C[C@H](CC=C[C@H](O)CC3CCCCC3)[C@H](Cc3cccc(CO)c3)CSSCc3ccccc3C2)[C@H]1CCN 2356313235 WVCCOTOSMLBBCR-FHEVBBSKSA-N 736.097 8.224 50 1 KKGF CN[C@H](Cc1ccc(O)cc1)O[C@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356350923 MNPXSFPKZGLJOM-DMUKBKCISA-N 663.858 6.734 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1ccccc1 2356357747 UMCPYFZQPXRAEL-NRCNCXODSA-N 567.865 6.132 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CC[C@@H]5C=C[C@@H]6CCCC7=C1[C@@H](C4=C5[C@@H]76)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356360982 SBROLDLEVCLCCV-JQGBKGANSA-N 813.183 8.282 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356372047 WNFHXGVPGGNTOH-WUJQHITMSA-N 748.913 5.015 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@@]2(C)CC[C@H](Cl)C(C)(C)Br)[C@H]1Cc1cc(Br)cc(Br)c1O 2356596541 NFMVWIXBGOEENC-WJCWBEBSSA-N 718.634 10.173 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356715437 WVKFKBMNIXGMKL-MVTFXSDMSA-N 859.252 8.403 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C2CCCCC2)CSSCNC2=CC(=CCN2)[C@H]1CN1C(=O)C=CC1=O 2356855956 RUYRWRIFRGKCNO-YHJKUYGTSA-N 756.003 7.138 50 1 KKGF CNCC(CNC)Oc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O 85568401 KUMNHAHFQRFUCR-ITONZIHDSA-N 638.808 5.275 50 1 KKGF biogenic,in-vitro C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(=O)CCCC[C@H]6CCSS6)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 95542806 PNRBKHMNBUWRNW-VDRNAWDJSA-N 764.104 6.376 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@](CCCC[C@H](O)C4CCCC4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@@H]1O 150349134 QOPXJXCOHPQYHQ-KITBXHALSA-N 917.227 8.883 50 1 KKGF biogenic,in-vitro C[C@@H](CCC(=O)N[C@H](CCCCNc1ccc([N+](=O)[O-])c2nonc12)COO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 169362037 QLUQJGVHFRKZQO-JVYRZISBSA-N 685.863 6.095 50 1 KKGF 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CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]41CCC[C@H]5[C@@H](O)[C@H](O)C1 2356366534 KZIPILLGHQBMAR-GLGQSYHZSA-N 880.223 6.607 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC=C5C5(CCCCC5)SSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 2356374471 XHVFMQNJUVKUMR-JPJLHOSBSA-N 951.304 10.475 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356709582 LCUTYJNSPXSBGY-HJQASUJGSA-N 713.141 12.644 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356743854 IAUADLMEROEUCM-NTWXMTRLSA-N 776.116 5.539 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356768003 IOIGSXZZBSUSIN-GFQFFUKGSA-N 930.335 7.112 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@H]1O 2356816271 CZOCSPHIKWBHMW-FVPPHTGHSA-N 931.234 7.629 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356834982 HOFXBTVUUVINSS-MQKATLCGSA-N 846.105 5.177 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccn2C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 42765463 ISKQMPRXCVXJIK-UONYAPGBSA-N 576.517 5.186 50 1 KKGF CCOC(=O)Nc1cc(COC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1 49898728 VECNPTMKYJUWPK-UHFFFAOYSA-N 646.575 8.733 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)c([N+](=O)[O-])c5)CC[C@@]43C)[C@@H]1CCC2=O 96900273 WLFHICQIMNWCNL-ZYDPEMPTSA-N 619.630 7.645 50 1 KKGF COc1ccc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@@]23[C@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 102957177 UEZXFIUUAOYLLH-AEZSGONSSA-N 535.456 6.588 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CN=C4[C@@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 169714193 QJUSGHZQXLBGAH-IZIAMBNFSA-N 529.563 5.717 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C(C)C)[C@@]3(OS(=O)(=O)C=C3NC(=O)NC(=O)c3ccccc3)[C@H]2O[Si](C)(C)C(C)(C)C(C)C)c(=O)n(C)c1=O 195172655 YTULGSCEIWPUJK-IJLUGNNCSA-N 807.128 5.517 50 1 KKGF COCO[C@H]1C[C@@H]2C[C@@H](O[Si](C)(C)C)[C@H]3[C@](C)(CCC[C@@]3(C#N)COCc3ccccc3)[C@]23CC[C@@]1(C)C3 195224271 JXRYFCYSKNOTOS-GYBXHTMVSA-N 539.833 7.329 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587084280 WPSZPNOPMPDZGU-UHFFFAOYSA-N 510.713 8.365 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587257572 LJKSRXRUAPFLJS-SIBQOMCCSA-N 904.002 8.210 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Br)C1 587321635 DSTRCZVFDVECJO-FAELBMERSA-N 520.395 5.470 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587323465 KJDTXXCVTWGBKL-BFHCWMLDSA-N 541.962 5.944 50 1 KKGF O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325688 GSVHPRGXIJPDSB-XRKRLSELSA-N 501.941 6.011 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3sccc3Br)cc2)[C@H]1c1ccc(F)cc1 587371812 DKDLTKNHGCULOW-JYFHCDHNSA-N 588.292 7.672 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674475 WYKFQNLDXQXDFE-NIVTXAMTSA-N 512.044 6.076 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 587687277 YTFRVGQCHDNKMG-VVVCHXIZSA-N 517.053 5.496 50 1 KKGF COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689717 VGCAPTBCZJLWQS-ZQNCRGTDSA-N 532.837 5.874 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[C@]1(CCl)NC2(CC2)Cc2ccc(Br)cc21 961610390 BLKBZNMCOFGTLR-IPAQNMPNSA-N 619.015 5.909 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1cc(Cl)ccc1O 961747109 GAMPRPXVKILKDU-XMMPIXPASA-N 507.856 5.835 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@H](Br)C1 962949805 COTYGXBVOFGCMZ-YLEKAMJDSA-N 533.429 5.393 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cccc(OC(F)F)c2)N1C(=O)c1ccc(Cl)cc1 963034139 YMDQTKJKVKJJAW-AJTFRIOCSA-N 589.820 6.213 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963363054 CARDAQXPVDDJBN-DITALETJSA-N 734.487 8.417 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@H]2c2ccccc2CBr)c1 963554186 SUVKUZSWWPEXOB-RUZDIDTESA-N 568.393 6.342 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963732520 UPRYQTYCRBIMAK-AONNBLCTSA-N 586.088 5.233 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCl)c1cc(C)n(-c2cc(F)cc(F)c2)c1C 963842234 WCNAGHBFGYJSHM-AYWVHJORSA-N 559.053 6.800 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 1772651198 XKDMUXOYTMVTBO-IPOUYIQVSA-N 543.454 6.322 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1857552890 PLOORBMNKNEVAZ-WEJDKFPFSA-N 640.696 6.011 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 1857568370 IKHNJLBBNYYHOX-SYJKBDHJSA-N 985.061 8.527 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(CSc3ccccc3)nn2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857742253 WGCNZQWLOJKYLP-UKAHMCTASA-N 692.923 6.636 50 1 KKGF C=C1C=C2C=C[C@]3(CC[C@]4([C@H](CCCO)C(=C(C)C=O)CC[C@@]4(C)O)[C@@H]3O)C(=C2)COCC#CCC(C)=CCC1 2356597614 OGNSKUPOUFFPAD-DWZFQDHRSA-N 546.748 5.692 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356638334 ZVUXZIIHUFVJDO-ZPJHETKHSA-N 817.121 5.307 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCCO)CSSCO4)[C@@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356670050 YHOVGEDRLIFPDK-GMVRQWALSA-N 800.989 5.505 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H](C)CCSS3)[C@H]2O)cc(OC)c1O 2356677226 LAPDKKBULPKXNQ-WJSLFBBCSA-N 696.884 6.494 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3[C@H]1C=C[C@H]4[C@H](O)C1 2356841199 NFOOZTFTQSUWPZ-GQLPYZALSA-N 861.015 5.695 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@H](C[C@@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)CC[C@]34C)[C@@H]2CN2C[C@H]3CC[C@@H](CCc4ccccc4)c4ccc(CCCO)cc4CSSC[C@@H](C3)[C@@H]21 2356876285 ZJDJMUAMRIKORV-WCAPJJPSSA-N 788.217 8.901 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2F)nc2ccc(N3CCCC3)cc12 49746315 XZNAGFTUXWYYJY-UHFFFAOYSA-N 566.508 7.569 50 1 KKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1cccc(C(F)(F)F)c1)OO2 64453633 BEVQEJNFLDAIRR-ZATZZNNRSA-N 519.563 8.328 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc(-c2ccccc2)cc1)OCc1ccccc1 84619826 UZYVYQVCEJPZIL-HKBQPEDESA-N 600.806 8.478 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4)cc3F)ccnc2cc1OCCCN1CCOCC1 96283559 VEWMRZYRRLLOGN-KEIPNQJHSA-N 573.625 5.432 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O 150348748 YJEARMAMFQRPOJ-WWEBLFKJSA-N 700.968 5.575 50 1 KKGF biogenic,in-vitro CCCCC[C@H](CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2)C[C@H](C)O 150349179 VEGXQKOPRDZLNA-LJHZAMLQSA-N 917.271 10.549 50 1 KKGF biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)O[C@@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC 150565556 PJKZDTSXKLWIJQ-PIYFIQLCSA-N 897.386 14.772 50 1 KKGF CCCCCCCCc1ccc(CCC(CO)(CO)NC(=O)CC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 207707926 KAEZVRRZNABVGF-UHFFFAOYSA-O 624.826 6.746 50 1 KKGF O=C(OC1CSSC1)c1ccc(OCCOC(=O)c2cc(Br)ccc2Br)cc1 299859900 GCTPNECPUUSHCX-UHFFFAOYSA-N 548.274 5.368 50 1 KKGF CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C 586919690 HOQIOEVPBJLBOC-SGICCQEASA-N 761.835 10.943 50 1 KKGF N[C@@H](CCCNC(=O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587260462 YLXZWIDSTLQJFL-HNNXBMFYSA-N 543.356 6.689 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c(C)cc(Cl)cc12 587624935 XGGBWKBNKRAHHX-UWCRNPGBSA-N 646.583 7.039 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N1 587684592 LGIBFXFLOWTLJN-BOVDGQEDSA-N 545.880 6.094 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 587689697 UZHFABVKKPYNGD-DAOPMYJZSA-N 530.696 7.319 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 587718715 NZGJRRASZAKLFX-WNWIJWBNSA-N 544.459 6.316 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc(Cl)c(SSc2cc(Br)ccc2Cl)c1 587919604 QYDWBNIFARFXAO-UHFFFAOYSA-N 530.723 8.617 50 1 KKGF COc1ccc([C@H](C[C@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)OC(=O)Nc2cc(Cl)ccc2Cl)cc1 621429265 UAYQRYVLSAYJTJ-ORUUFXNWSA-N 730.686 7.418 50 1 KKGF O=C(CC[C@]1(CCOC(=O)N2CCCC[C@@H]2[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O 621430396 UDWZTZCKPDWCGE-USWNXHIASA-N 840.859 7.423 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678999 NBZSHUZXTLRBOH-HZAQMHFWSA-N 560.056 7.590 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1cccc([N+](=O)[O-])c1Br)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680251 TVQREQKOYRPWDD-VWLOTQADSA-N 658.265 6.730 50 1 KKGF Fc1c(I)cccc1[C@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953232 KZISUFJBQNORHJ-FQEVSTJZSA-N 584.189 5.739 50 1 KKGF C/C(NNC(=O)COc1ccc(Cl)cc1C)=C1/C(=O)c2ccccc2[C@]12c1cc(O[P@](=O)(O)OCc3ccccc3)ccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963083211 OATHBZBYBDAWQH-QLIPSBGWSA-N 940.342 9.019 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCCCCCl)(c2ccc(Cl)c(Cl)c2)N1 963163910 SICCBONTHFGZLD-YFXFWNCGSA-N 699.122 9.316 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@]2(CCCC[C@H]2CNCCBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963205721 XQQXMBLDTPRXDU-XYQUQUKTSA-N 593.518 5.910 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(c2cc(C)n(-c3cccc(OC)c3)c2C)N1C(C)=O 963331451 ZAXGGJPKICBHBO-VJZJJTPSSA-N 831.344 6.388 50 1 KKGF Cc1cccc2c1[C@](CCl)(c1cc(C)n(-c3cccc(F)c3)c1C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852300 CGGAVBJCMSSWDL-HLADLETHSA-N 541.063 6.661 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SS[C@H]7C=Cc8c(ccnc8N7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356299642 GJYUDCWJEHNJOC-RLBBHREZSA-N 906.180 9.035 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2 2356351068 PICRGWNTIUXWHJ-BKIWHSJJSA-N 967.396 11.409 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356351133 QVHBIUAQTMYMAU-BUOUYQSFSA-N 861.085 6.328 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2C[C@H]3CC[C@@H]4CCC[C@@]4(C2)C3)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356441455 SPJQVTXBHYCVFU-DUZWNHKSSA-N 793.193 8.730 50 1 KKGF CCCCC=CCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356476865 RHGTXJLTQOSXCQ-HJQASUJGSA-N 711.125 12.420 50 1 KKGF CCCCCCCCCCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1 2356562987 LZMVCENJBDTSPS-LHNIZDSISA-N 627.347 8.744 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CC[C@@H]5CC[C@@H]6[C@H]7CC[C@@H](C)[C@@H](NC(=N)NC)CSSC[C@H]6[C@@H](N)C[C@@H]7C5)o4)ccc3O)[nH]c2CC[C@@H]2CCC[C@@H]21 2356634975 QTSPYUXZVBATAM-FELQUMDKSA-N 992.451 7.560 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]21C 2356739365 UGOLTZRZBPOGFH-WUPXNJHZSA-N 644.944 5.610 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356809393 AQMSGNQNWKMEBK-CWRCBWHISA-N 939.210 5.670 50 1 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126752 ZVJASHFHEVGXKC-UHFFFAOYSA-N 585.708 6.137 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3 49757133 AOVNFRSXIDNRGX-UHFFFAOYSA-N 541.410 6.698 50 1 KKGF O=C(c1ccc(F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br 72177427 GOGIAXGOSSTBQC-WCWDXBQESA-N 567.125 6.513 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 100078303 OXOZGERGLBAMFP-AJTFRIOCSA-N 585.034 5.071 50 1 KKGF Cc1cc(S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2cccc(Cl)c2)cc1Cl 150548582 UNNAWFSQMXXURP-UHFFFAOYSA-N 828.630 10.168 50 1 KKGF C=CCO/N=C(\C[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616857 WGDOECSYODBCCA-QVVUYWFWSA-N 631.807 6.436 50 1 KKGF CCCC[C@@](C)(C/C=C/[C@@H]1[C@@H]([C@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C 195419975 CDLLQQUCUNYKKE-BEKZAHHYSA-N 584.987 7.813 50 1 KKGF CC(C)(O)/C=C/C[C@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@]2(C)CC[C@H]1Br 205748954 BOWUPEPELVRGFV-QUIUFYHMSA-N 521.492 5.507 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 390822927 NMIFFCWRXGCURO-RQSYUWQPSA-N 518.855 7.804 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587236114 ZZSBCWPORYOHNT-DGCLKSJQSA-N 520.362 7.534 50 1 KKGF Cc1ccc([N+](=O)[O-])c(OCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587262460 UNBNMYDAIPNDOK-UHFFFAOYSA-N 502.259 6.821 50 1 KKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1C 587324928 AYCBDHZIGCXSDO-PQHLKRTFSA-N 504.001 7.049 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)CC2=O 587494049 HSLRXEMJBZGZOO-WTPASJBYSA-N 568.135 7.016 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Br)c2F)N1 587725502 QOMAVTPLVYHGTG-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF COc1ccc2c(c1OC)[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)N(C)[C@@H](C)C2 962573264 NDDZTZVSLXQTKJ-LGNVEDGCSA-N 519.032 6.460 50 1 KKGF COc1ccc(Cl)cc1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963021756 RHVHQTMOGSBIJO-AJTFRIOCSA-N 588.285 6.274 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 963168377 CRPPPEZEVSYDEG-UVNLRBHVSA-N 720.067 7.914 50 1 KKGF CCCCOc1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963197855 ULKMOFLZRNZUNZ-FPOVZHCZSA-N 520.773 5.775 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816978 IUZPGZBUCVDKSX-BZKUTMRRSA-N 566.057 6.111 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncccc2c1 1772589932 SYSDJZRMHPPYIO-AWEZNQCLSA-N 572.510 5.898 50 1 KKGF Cc1cc2nc3c(nc2cc1C)[C@]1(C(C#N)=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C1[N+](=O)[O-])c1ccccc1-3 1772652229 CGXIOTWPJFYRNX-PSXMRANNSA-N 591.675 5.958 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccoc1)C(=O)CCl 1857533789 ZMCKAHOCNZBGEK-BNCGQMCCSA-N 539.883 6.116 50 1 KKGF COC(=O)c1coc([C@H](Cc2ccccc2)n2cc(C[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCc4ccccc4)C3)nn2)n1 1857534633 OVCGHHIQPXUZIH-BFTBRQPJSA-N 628.890 7.867 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]43 2356302723 RPSXSSMBPWATBY-ZSEHLCLFSA-N 669.825 5.359 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356356674 BYLABABQYQAXRR-OZSQDQTISA-N 948.342 8.189 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)CSSC[C@H]1c1cc[nH]c1 2356369473 XDQILRRCZAEOPS-KUVYTWDVSA-N 505.702 6.079 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@H]1C=CC[C@H](C)C1 2356482575 QRLRTTIDFWWHKD-GQHAUUIMSA-N 806.097 6.157 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356488165 BEISPNOEMNORKO-NLXQXZJJSA-N 851.097 6.719 50 1 KKGF CC(=O)O[C@@H]1CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@H]3C[C@H]3OO[C@@]2(O3)C1(C)C 2356546168 BVVLDPHSPCYJTD-GPLRPDDRSA-N 516.763 7.814 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(C3CCCCC3)=C[C@@H]12 2356590639 XDUHFRYJWIGXKR-KDYCGWKBSA-N 750.936 5.241 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](C[C@@H]1CC2(CC(=O)O1)SCCCS2)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356700905 LIZAXEADJBBAQL-CDKYPKJRSA-N 893.558 16.536 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC2CCCC2)c1O 2356768366 NHWGUIGPJNQIPL-ZWSHHFEBSA-N 694.912 7.885 50 1 KKGF COC[C@@H]1C[C@@H]2CCCC[C@]23NCOc2c4cc(c5c2O[C@H](O)[C@@H](C5)[C@@H]2CSSC[C@H](C(C)C)NC(=N)N[C@@H]2C#C[C@]32C=C[C@H]1C2)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OCO)c1C#CC4 2356778165 NQWBMLXLYHSYEJ-UBTLQGPBSA-N 969.280 6.002 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@H](C)O)C1 2356835952 KVTIIJHSBZUYEK-YQWOGAHESA-N 877.227 5.284 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@@H](OCCO)[C@@H](CCC1)CC2 2356857960 SOIAPFQETGZFIN-RJDDBFTHSA-N 846.169 6.105 50 1 KKGF CC1=C2C(=CC(C)(C)[C@@H]2OC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)C(=O)[C@](C)(O)C12CC2 42888881 HTPWWQUWIVQJNL-IAPPQJPRSA-N 534.524 5.602 50 1 KKGF CS(=O)(=O)c1cccc(Oc2cccc(-c3c(CBr)nc4c(C(F)(F)F)cccn34)c2)c1 49792556 DTFHRWHNMZEOGX-UHFFFAOYSA-N 525.346 6.111 50 1 KKGF O=C(c1ccccc1C(F)(F)F)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 72177550 UZRZNNFAFMMCSP-CYYJNZCTSA-N 528.230 7.174 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(F)cc1F)SS/C(=N/c1ccc(F)cc1F)OCCN1C(=O)c2ccccc2C1=O 95541678 RSTSZOYRHCXSAL-CFTRLRGZSA-N 722.698 6.925 50 1 KKGF C[C@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O 95608188 KQQDTKLGLAIGOF-FONIQTIZSA-N 808.668 11.004 50 1 KKGF Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907844 ZVXPOQCHXGOFDG-WJOKGBTCSA-N 587.630 7.426 50 1 KKGF CCCCCc1ccc(C(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@]53OO4)[C@@]2(C)S(=O)(=O)c2ccccc2)cc1 102169835 XZPLLDANSVIJRM-ORMWQMTASA-N 598.758 6.381 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3Cc3ccnc(c3)NCSSC[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344211 FLURTCNJMRRJII-FDBDFQIUSA-N 656.914 8.686 50 1 KKGF biogenic,in-vitro Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4ccc(N(CCCl)CCCl)cc4)cn3C)cn2C)cc1C(=O)NCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1 150569562 IDUJDDYNVNUJID-UHFFFAOYSA-N 863.760 5.698 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5-c4ccc(F)cc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312603 ZLTQQDGZFVVCNS-XEZDUFCFSA-N 709.787 5.704 50 1 KKGF Clc1cccc(Cl)c1CNCCCCCCNCCSSCCNCCCCCCNCc1c(Cl)cccc1Cl 169331469 ZMULBEGTRVPOOC-UHFFFAOYSA-N 668.672 8.861 50 1 KKGF CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)C(=O)[C@H](Br)C[C@@]56C[C@@]46CC[C@]23C)O1 253638234 PJODGMQVMSZZCF-ZFCUBOJESA-N 551.606 6.047 50 1 KKGF Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CNC(=O)C[C@@]3(C)C[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(O)nc1=O 261185792 XKPREZASYVOYQM-SVENKHGHSA-N 835.204 6.786 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(CC)c1)C(=O)Nc1ccc(C)cc1-2 299807790 YNIZHLBAPBPYQO-LJQANCHMSA-N 535.308 7.432 50 1 KKGF Cc1c(Br)cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1C 587055178 KOYYCOGCBOOIMC-MFOYZWKCSA-N 514.254 7.721 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587321403 JVHLJBOKOOWGDE-RBBKRZOGSA-N 506.165 5.943 50 1 KKGF COc1cccc(-c2cc([C@H](Br)Cc3cccc(Cl)c3F)nc3c2oc2ccccc23)c1 587360725 RTKZVRLTOXFRGC-HXUWFJFHSA-N 510.790 8.128 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3c(F)cccc3Cl)c2c1 587620569 VLVKDDDZKLIPQU-UHFFFAOYSA-N 524.357 6.084 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1 587669194 BEVIUFFIOSCJTI-ZNZBMKLDSA-N 517.236 6.012 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 587673786 PYEFUUWGKJFPJG-QZXCRCNTSA-N 537.270 7.658 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 587689885 XORLILWRCWVTRP-NYEJTYJQSA-N 531.809 5.341 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587850386 PQARJPQKMAKUEQ-PDBZVODSSA-N 788.867 11.177 50 1 KKGF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)[C@@H](Cl)C(=O)c2cccc(Br)c2)c1 587904651 SVPHZOKRZWSILG-JOCHJYFZSA-N 502.191 6.184 50 1 KKGF COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC/C(=N\NC(C)=O)C2(C)C 653727833 QAMCTSUGODOACP-KVQDIILNSA-N 585.130 5.524 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1)(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962618024 DTPQPPLGRRHYHP-SNFYEFRLSA-N 582.053 6.546 50 1 KKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)c4[nH]c5ccccc5c4C[C@@H]([C@@H](O)CC(=O)O)N3C(=O)OC(C)(C)C)c2C)cc1Cl 963064361 KQYJZMKSJAYKKB-SECNDIFOSA-N 642.580 6.717 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C(=O)c1ccccc1N)CC2 963160610 SDZNVAKYZPNKBD-HJIQQCSTSA-N 614.142 5.956 50 1 KKGF CCC[C@H]1C(=O)C(C#N)=C[C@@]2(C)c3nc(-c4ccnc(C(F)(F)F)c4)nc(-c4ccccc4F)c3CC[C@H]12 1911579530 LJOUWKBZWQZQFF-PNLFWNEXSA-N 520.530 6.633 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@@H]5CCC[C@]5(C[C@H](O)CO)CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356300016 JQOYJEBCGVJPKL-DCMOCGLASA-N 970.267 8.073 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@@H](O)C4CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356307971 HGHISAPJZDRBBV-UFQFXGRHSA-N 902.236 10.127 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2C[C@H](O)CC[C@H]2CNC)Cc2cccc(c2)C1 2356357491 RVCLSSVXSFYGSY-HZOMSPTJSA-N 958.335 5.326 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356359310 HXMYCSKLWXBQRV-BFMGSTFWSA-N 783.154 7.457 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)[C@H]2CC(c3cc[nH]c3)=C[C@@H](C2)SS5)c1O 2356371180 WWITVMGWCHFOIU-VHBNBXNJSA-N 884.126 9.099 50 1 KKGF COc1cc(CC2([C@H](C[C@H](OC(C)=O)[C@@H]3CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@](C)(O)CC3)OC(=O)[C@@]34CCCC[C@H]3CCC(=O)N4)CCNCC2)ccc1O 2356371243 YAFVXHXNMAMVOB-CTRQYAFUSA-N 864.225 6.464 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 2356664076 GZXFTIBVEUGZSC-VZYPFEDESA-N 601.077 10.386 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC4CCCC4)C3)c2)N1 2356735439 YFRNFMMGUABSCI-PPVRPATPSA-N 851.189 8.607 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)CCCC(C)C 2356768191 NGNSIQFBJPYTHZ-DEVDXAACSA-N 556.828 6.777 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@@H](O)C2CCCCC2)C1 2356825006 HAQZPBYPEMRSBD-ZZZQDPKASA-N 917.292 6.208 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(C)=C2OC)[C@@H]5C)c1 2356828138 ITAOHCLHJOIXBJ-BPRCSFFDSA-N 786.157 10.356 50 1 KKGF Cc1ccccc1[C@H](NC1c2ccccc2C=Cc2ccccc21)P(=O)(c1ccccc1)c1ccccc1 95567469 ZVURMVLXTYMHFQ-PGUFJCEWSA-N 511.605 7.871 50 3 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1-2 44053174 LFRGETSULYAQKG-HWKJUCOASA-N 541.699 7.523 50 1 KKGF O=[P@](O)(OCCBr)OCCCCCCCCCCCCCCCCO[P@@](=O)(O)OCCBr 44406717 MJIWITQMUJOGBW-UHFFFAOYSA-N 632.304 7.505 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Cl)cc1 45299849 MKKWMQJTZFKWCU-RRPNLBNLSA-N 516.380 6.874 50 1 KKGF CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cc(O)cc(C2(NC)CCCC2)c1 85597332 AVWJLROGHZXWHV-KEJQJTBPSA-N 746.992 7.852 50 1 KKGF biogenic,in-vitro N#CC1=C(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 102086180 CVKSFUZQIVSUIF-PPTMTGTBSA-N 629.592 7.090 50 1 KKGF CC1(C)C(=O)/C=C/C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)[C@@H](Br)[C@@H](Br)C(=O)C(C)(C)c2ccc1o2 103961714 WBIQJYVZFHNLRN-MMBGEXHLSA-N 624.366 6.056 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@H](SSCCC[C@H]2O)[C@H]3O)C=C[C@@H]4CCO)c2c(c1O)Cc1cccc(c1)[C@@H]1NCCC[C@@H]1SSC2 150343685 CGYNYTDSFOBXQU-ANTIDJBXSA-N 1016.340 11.554 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 150347700 MYRMEXVYTNATGB-NLPIWXRKSA-N 877.135 7.107 50 1 KKGF biogenic,in-vitro C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C3=CC(=O)[C@H](C(=C)C=O)C[C@@]32C)CC1 169326661 POSQDGKQUKPECC-BXTDCKIASA-N 911.190 8.400 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O[C@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 195170773 JTXHATPLRKWRIJ-HGRYVUDWSA-N 525.436 5.580 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)c3ccc(/C=C/C(=O)c4ccc(Cl)c(Cl)c4Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299858437 RNGJCYWLZLBIIF-AWKMOREJSA-N 621.941 7.908 50 1 KKGF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@H]21 586962342 WNSCPNMKZIEKQT-KPOBHBOGSA-N 507.550 6.915 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587375169 RMAFJSQRJKDLCJ-HVNZXBJASA-N 609.506 7.695 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(Br)cc1I)O2 587385873 GQMIPJJAYCSAKU-KRWDZBQOSA-N 551.016 5.200 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)CC2=O 587462296 XJXDNCXMAVCEKH-LITSAYRRSA-N 508.014 5.825 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587497588 JHCZQLPOECGOCE-HOLBHBGLSA-N 520.412 6.238 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587508879 FTACEGBNCHCFFQ-ZQWAWDFXSA-N 502.614 6.102 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)[C@H](C)Cl)c2c1 587618827 WKEXIRSQEKCLOV-AWEZNQCLSA-N 528.974 5.118 50 1 KKGF COCCCN1CCc2ccc(OC)cc2[C@]12CC(C)(C)CC1=C2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O1 961316882 DADKXPATBXWVRV-DHIFEGFHSA-N 517.645 5.506 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CCCl)(c2ccc(F)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962575383 VZCKYKSOBZHLIA-PPTMTGTBSA-N 575.011 6.493 50 1 KKGF CCN(CC)C(=O)[C@H](Cl)[C@@]1(C)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962681738 XCZFEHPXIMMOQS-WIOPSUGQSA-N 526.983 5.112 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CBr)c1ccc(F)c(OC(F)(F)F)c1 962991944 VYFSJZACYUAHIJ-MHZLTWQESA-N 644.843 6.691 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(c1ccccc1Br)[C@@H](C)Br 962992797 YIMREXXTGFRCQF-WRHNGFHOSA-N 635.780 6.804 50 1 KKGF ClCCCCC[C@]1(c2ccccc2I)NCCc2c(Cl)cc(Cl)cc21 963109827 OWEQRDBTOTUXHR-HXUWFJFHSA-N 508.658 6.787 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1CCc1cccs1 963188748 WLDYGPSGXYBHCV-WMZHIEFXSA-N 531.427 6.163 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl)N[C@@H](C(=O)O)Cc1c5cnc2ccccc12 963234282 UOYRKIMURRGUJG-MYTRHMDBSA-N 719.662 6.343 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(C(=O)N(CCCl)c3cc(Br)ccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963727359 CCQPLNLOLZTKIJ-PMERELPUSA-N 622.903 5.044 50 1 KKGF COc1cc(N[C@@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(C(F)(F)F)cc1 1857640282 VZDNTHCRLAAPJV-XWUGHWDNSA-N 695.823 9.048 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNc2cc(ccn2)[C@H]1CN1C(=O)C=CC1=O 2356338527 ZSYRVTXKKPIVGB-PYKTVHSKSA-N 685.868 6.592 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H](c2cc(O)c(O)c(OC)c2)CSSC[C@H]1c1cc[nH]c1 2356351023 OERAZJJAKCZMRQ-LKFPXLSTSA-N 521.701 5.784 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@H](CC(C)C)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356356178 KDXSXOLKKDFRIF-QTQLFHQISA-N 818.108 5.995 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@]2(O)CCC[C@@H]4CN(CCCOC)CC[C@H]42)O3)O1 2356413747 JPPFXHQGHYPVQB-JXQBIXTNSA-N 867.049 6.482 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356639551 UYQCRDHVFRXUDK-RYINDGSPSA-N 699.895 6.507 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@@H](O)C1)[C@@H]2CCC(C)C 2356741227 WMYXMRAGLZGPFE-AHUWCFDTSA-N 735.070 7.289 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@H]4CC=C[C@@H](C4)SS3)[C@H]2O)c1O 2356780432 WKHGSAFUJWVRFZ-GBMZFORSSA-N 793.013 7.925 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356827285 HPCJTLWCZGIYFX-FWTXIKKCSA-N 883.190 7.605 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@H](O)C[C@@H]6CCC[C@H]([C@@H]3[C@@H]2CN2C[C@H]3CC[C@H](CCc7ccccc7)c7ccccc7CSSC[C@@H](C3)[C@@H]21)[C@@H]4[C@]65C 2356833663 KIMLRAHJSJLETM-PGECAWKASA-N 770.202 9.612 50 1 KKGF CCCCCC(=O)OC[C@]12CC=C(C(C)(C)OO)[C@@H]1[C@H](OC(=O)c1cccnc1)C[C@]1(C)O[C@@H]1CCC(C)=C[C@H]2OC(=O)c1cccnc1 2356871844 YLQVZIPYGBZEBF-AMHDJLNQSA-N 676.807 6.840 50 1 KKGF CCCC[C@@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NNc2ccccc2)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 27759494 CXIQAHVMKNGONG-QXIHQKPUSA-N 589.758 6.896 50 1 KKGF CCCCC[C@@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CCCCC)NC(=O)c1ccccc1 36176390 WYMWGQYFGRDOEW-VSGBNLITSA-N 564.767 6.866 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC(C)(C)OO2 42835365 BFYRGZZNXIUYSZ-BBDHWLHHSA-N 594.742 5.660 50 1 KKGF CCCCCCCCCCN(C(=O)c1cccc(CCl)c1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 49780266 VMYSCIUGYIGXBL-JZUUMFCRSA-N 597.328 9.240 50 1 KKGF COc1ccc(C2=C(c3cccc(NCCCCCC(=O)OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c3)C(=O)N3CCC[C@@H]3C2)cc1 49792003 VCRFRAQJKLNISW-RMYVIZGWSA-N 674.864 5.769 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 58503031 QDLRLYPWXMVZLU-IURFYJMPSA-N 577.501 5.830 50 1 KKGF C[C@H](Cl)CC(=O)NC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 66066429 HFQMCPMALUEUGH-LFPIHBKWSA-N 593.920 5.120 50 1 KKGF COC(=O)[C@H](CSSC[C@H](NCCC(=O)c1ccc2ccccc2c1)C(=O)OC)NCCC(=O)c1ccc2ccccc2c1 66252370 LNVLPUURHLBYCH-KYJUHHDHSA-N 632.804 5.483 50 1 KKGF CNC[C@H]1SS[C@@H]2CC[C@H]3[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]3[C@@H]2Cc2ccc(O)c(c2)O[C@@H]2CCC[C@]1(NC(=N)NC)C2 85597150 LPEYOLMLNGPALC-AEAZYVMNSA-N 822.063 6.006 50 1 KKGF biogenic,in-vitro C[C@]12CC[C@@H]3c4ccc(CCI)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 103252463 QPZAORDWONSJGR-OPRSCSRJSA-N 543.489 5.449 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(CCO)C6)[C@H]4[C@H]2O)O3)c1O 150342831 YZTMDSAWMHFVOR-WKAFSEKQSA-N 927.238 8.525 50 1 KKGF biogenic,in-vitro N[C@@H]1NC[C@@]23C=C[C@@H]4C5=CN=C6C=[N+](C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@H]7C=C[C@@H](C8CCCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@@H]5C#C[C@H](O)c2ccc1c3c24 150348914 YGZWZVNZMBFRCT-KHDFFEQFSA-O 952.232 7.430 50 1 KKGF biogenic,in-vitro COC(=O)CNC(=O)[C@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1ccc(N(C)C)cc1 169299387 WEHMBEOWMQCQFH-PWOMTAGLSA-N 896.132 6.914 50 1 KKGF C/C(=C\C[C@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 169313336 IQZRDEYKPNMTKJ-NWMPANKLSA-N 501.151 8.588 50 1 KKGF C/C(=C\CC[C@]1(C)OC(C)(C)O[C@@H]1CC/C(C)=C/CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CC/C=C/CO[Si](C)(C)C(C)(C)C 195812238 UTDGYZGKPVRQQO-MQVYSJENSA-N 719.212 11.284 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@H]1O 254076461 IEYIWXBJAVNHQT-SQMKXBQTSA-N 594.190 5.185 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](OC(C)=O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@@]5(C)CC=C[C@H]4O[C@H]3C[C@H]2O1 255269630 TUNQZXMSQOZOOQ-CUCOBHHTSA-N 937.133 6.043 50 1 KKGF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586973437 OKFBPKOVWJOQNM-INIZCTEOSA-N 530.382 7.093 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587041623 NZMKJKWJASZMNG-UHFFFAOYSA-N 533.407 8.040 50 1 KKGF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587264764 JGUNLLHJLYDBFS-JTQLQIEISA-N 503.247 5.839 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322182 GMMLOJSCJWUNDQ-GCRSFRQPSA-N 565.523 8.398 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1N1C(=O)c2ccccc2C1=O 587538979 SZOBOKLCKDKLFN-GIGWZHCTSA-N 556.368 5.445 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 587672164 DHASJXARSCHYPU-MFLXSWDHSA-N 520.281 5.360 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)[C@@H](C)Cl)cc12 587688953 OMDPONXEUFKUBR-DDDOEAIBSA-N 562.266 6.178 50 1 KKGF COc1ccc(Cl)cc1C#CCc1cc(OC)c(CBr)cc1OCC[C@H](C)CCCC(C)C 587897958 BQBHADCIRUNDSX-OAQYLSRUSA-N 535.950 8.078 50 1 KKGF Cc1cccc(Br)c1[C@@]1(CBr)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961744824 ASYYZNMFZGEESL-RUZDIDTESA-N 550.335 6.547 50 1 KKGF COc1cc([C@@]2(C)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1OCCCCl 962472418 GWRLVPCRZHMXBD-BIMVPBQRSA-N 613.110 6.622 50 1 KKGF CC[C@@H](C)[C@@]1(CCl)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962579047 ZRLANNAZMVSVKW-AAFRUZDHSA-N 505.014 5.822 50 1 KKGF CC(C)(C)[Si](C)(C)OCC1=C[C@]2(C(OCc3ccccc3)=C(C(=O)O)O1)c1[nH]c3ccccc3c1C[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 963007141 CAYBRVKQHAHBLU-UKZNZPTOSA-N 715.275 7.617 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CCl)(c2ccc3nc(O)[nH]c3c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963037567 KYSMNFXXBWUHIB-CPBHLAHYSA-N 616.020 6.290 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 963174433 RLMIDSVJUYWGMU-BMQPFVSWSA-N 676.611 6.449 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1c(Br)cccc1I)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808598 SEPVRYFMVJVBCE-NDEPHWFRSA-N 738.214 6.458 50 1 KKGF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(CCCl)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 1857583345 IVLGEHYEFXRLHL-UHFFFAOYSA-N 521.672 6.853 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(C[C@@]53CCC[C@@H]3O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356350046 TYBUQOBVESSUHM-CCRASJTJSA-N 964.297 5.843 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2 2356351069 PICRGWNTIUXWHJ-KEWUHOLLSA-N 967.396 11.409 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2 2356357628 JZOLJCGNCRDGQY-BYSINUKNSA-N 941.358 10.704 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCCC(O)(O)C2)C[C@H]([C@](C)(O)[C@@H]2CCN(CCCOC)[C@H](CC)C2)O3)O1 2356375927 MSBBLZDGBKDJQF-CTDYBUPKSA-N 901.063 5.161 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356468594 JJRJGUZUBJCOQS-PVMYTREYSA-N 714.101 7.032 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356530950 XJRGTPCJNAGVTK-IWGUNHIXSA-N 739.010 5.193 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356618649 BWSVPZGITRPVOU-YHZGAROHSA-N 915.266 6.228 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)C 2356737773 CNPTXJXEBUDWNW-KUUXIVSFSA-N 599.897 6.509 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@H]1CO 2356833450 KGEWTVSDBMSGAA-VHKUIIAXSA-N 802.112 7.738 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356850590 PRHYOXDKQZSNIA-UEPYRXJMSA-N 836.133 8.699 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356853216 JJXIXWIQPXMKKY-TVDBJMKESA-N 728.957 6.878 50 1 KKGF C[C@@H](NC(=O)c1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938156 OJNQUVKHPHNWLC-ZBMTYMMFSA-N 704.161 7.424 50 1 KKGF COCC/C(SC(=O)O[C@H](C)Cl)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)O[C@@H](C)Cl 72124695 IKNUGTAJXWGHAL-IGMOUTSWSA-N 729.830 9.249 50 1 KKGF CC[C@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@@H](CSSC1)C[C@@H]1[C@H]2CCC[C@@]12C=CC[C@H](C)C2 85543523 RDWQUOBQAYQCPL-MNTAJKFLSA-N 574.940 10.294 50 1 KKGF biogenic,in-vitro CCCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 169371285 ACRMTHSZHIGDGF-BMVBVCHZSA-N 655.380 9.155 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299808091 LESKKKIMBKXTJX-VLUSYOLBSA-N 909.039 6.329 50 1 KKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccc(Br)cc3)ccc21 299870708 WTULOIAOOWXIIY-CCVNUDIWSA-N 530.253 6.947 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586973499 KPWMPCHNRNCKHD-AWEZNQCLSA-N 538.389 6.429 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O 587257329 HCWSMWMHVZQVHE-SIBQOMCCSA-N 904.002 7.895 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326674 MKIPGPLVIVEGGP-ATIYNZHBSA-N 515.921 5.061 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Br)ccc2F)[C@H]1c1ccc(F)cc1 587336482 UDKVPXJIJJJWRN-UNMCSNQZSA-N 524.155 6.082 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)ccc2Br)[C@H]1c1ccc(F)cc1 587340612 YKAFXPCWQDFIIM-UNMCSNQZSA-N 524.155 6.082 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)CC2=O 587494046 HSLRXEMJBZGZOO-OKXSDPAFSA-N 568.135 7.016 50 1 KKGF Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br 587676013 DONDWXLJRYUJIT-SHACYNPGSA-N 554.729 7.083 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 587719293 KYMBYTMNPQAURG-XLFHBGCDSA-N 515.114 5.799 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(CBr)c1O 587874659 FGLLTRGFBLRKTM-UHFFFAOYSA-N 506.021 5.067 50 1 KKGF CCC(CC)[C@@]1(c2c[nH]c(C(=O)NN)c2)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962676407 NGEGRHMTXKFQHC-MUUNZHRXSA-N 558.601 5.033 50 1 KKGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)c1C 962680204 SGRLFTYMHNSSDR-MUUNZHRXSA-N 579.015 6.025 50 1 KKGF CC1=C([C@@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 962702201 HMASSUOUHPYQQY-VAQPUYOWSA-N 600.215 6.921 50 1 KKGF CCOc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1F 1772602962 DPCHJNQELIEWSE-HSZRJFAPSA-N 530.440 6.201 50 1 KKGF C[C@H]1[C@@H]2CC[C@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](OC(=O)c1cccc(SCc2ccccc2)c1)O[C@@H]4O3 1772621998 GRPSGMPHZSLDJX-QXMRAJQPSA-N 526.651 5.315 50 1 KKGF COc1cc2nc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857605828 ZZHXLZQKIMDXAY-ONEGZZNKSA-N 629.457 6.434 50 1 KKGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@@]1([C@H]1c2ccccc2-c2nc4cc(C)c(C)cc4nc21)CC3 1857639041 GYJHRAVHEFCSIX-VCTRWQRLSA-N 507.597 5.941 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356292370 QEOACWIESFHLCB-WARRZFQZSA-N 795.085 6.158 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CCC5(CCCC5)C4)[C@@H]4C=C[C@@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356299589 FFNYFZBAMDWJPF-QKFVMTMJSA-N 867.055 5.732 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1c(Cl)c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c(CCCCC[C@H](Cl)CCCCCC)c(O)c1[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 2356323395 BRMPFHRPTFWBOB-BIFWNLNZSA-N 870.433 8.938 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c3c(c2)O[C@]2(CNC)C[C@@H](C[C@@H](O)OC)[C@H](CC#CO3)C2)N1 2356351163 REJWRJNKTWEXOI-VESRGGOKSA-N 779.038 6.289 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]21O)[C@@]3(C)[C@]12C[C@@H]4CC[C@H]1[C@@H]1CSS[C@H]3CCC[C@@H](O)[C@H]3Nc3cccc(c3)C[C@H]1C2 2356447412 RHYBHVMADOEPMX-LRKIJGBYSA-N 623.925 6.851 50 1 KKGF COC(=O)CCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCC[C@@H](C)O[Si](C)(C)C)O[Si](C)(C)C 2356479583 VZFQQOXLVSMGOB-ZNZIZOMTSA-N 549.030 8.521 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCNc7cc(ccn7)[C@@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356546734 QUUPMTWVIGGSFU-YKINBCLWSA-N 688.956 8.610 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356728961 YRCVCRIVUZAGHJ-KPWZNMEBSA-N 575.885 5.584 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@@H]1[C@H]2CC[C@@]4(C5=CC[C@H](C)CSSCNc6cc(ccn6)[C@H](CN6C(=O)C=CC6=O)C2=C4C(=O)O5)[C@H]31 2356778775 DJMZQIIYOJBLOA-KLGSUPQZSA-N 711.906 6.982 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(=O)C[C@H](OC)[C@]6(O)[C@@]4(C)[C@]53C)C[C@H]1C2 2356828735 IKJZLJRXFSMVGG-IPSRSAAFSA-N 599.903 6.152 50 1 KKGF CC(=O)Oc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)OC(=O)[C@]3(C)CCC[C@]4(C)c5cc(OC(C)=O)ccc5CC[C@H]43)[C@@H]1CC2 38149325 OUJQRQRBNRGQTC-GYXRXMPRSA-N 614.779 7.328 50 1 KKGF CCOC(=O)Nc1cc(CO)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 43524309 UZUOMPHTMWRMJX-UHFFFAOYSA-N 571.505 6.351 50 1 KKGF CC(=O)O[C@@H]1C[C@@H]2CC3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCC(N)=O)[C@@H]21)OOC1(CCC(C)CC1)OO3 59873643 JLJNHXHICRUBQC-GEUWNIJCSA-N 575.787 6.601 50 1 KKGF C[C@@H](Cl)Cc1nc(O)c2c(n1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1Cl 66099783 ZXLNRQYZTNNARF-MCMMXHMISA-N 593.920 5.597 50 1 KKGF Cn1nc(/C=C\C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1/C=C/C(=O)N1C[C@H](CCl)c2c1cc(N)c1ccccc21 82182110 POHRJBWHCNNYHG-NUOOALJDSA-N 651.598 6.656 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccoc1)C(=O)CCl 118932852 ZMCKAHOCNZBGEK-HERIDDTFSA-N 539.883 6.116 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc7c4C=C[C@H](N7)SS[C@H](O)[C@H](C)C/C=C\5OC6=O)[C@@H]32)CCCC1 150344201 MDSAGAGARKKCKK-NVQACTBDSA-N 670.897 8.010 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cc(I)c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195497586 JEVRXFJEOXKKDH-JFYQVNSESA-N 712.891 6.841 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccncc3)c2)n1 299863031 KKHTVOVHPASEPI-CJLVFECKSA-N 597.079 5.367 50 1 KKGF [C-]#[N+]CCOP(OC[C@H]1O[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)C[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1)N(C(C)C)C(C)C 306120461 ASVMQOBVCKMCOW-LEYPHQFNSA-N 772.887 8.032 50 1 KKGF CC(C)=CCC[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 586904977 WXMOIIRFMQVYDP-NZWNHDDISA-N 654.874 12.161 50 1 KKGF Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586932525 AFPDYRYZLCILAF-GDLZYMKVSA-N 827.696 9.154 50 1 KKGF O=C(Nc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1)c1ccc(Br)cc1 586985121 ZMLNNGJYJIWPQS-UHFFFAOYSA-N 518.305 7.902 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)[C@H]1c1ccc(F)cc1 587337919 WGAWHVQYQGTOBS-PGRDOPGGSA-N 514.149 6.627 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)C1 587385411 CVEGQEVTLPOZGB-SFZHJBLISA-N 603.541 6.591 50 1 KKGF COc1ccc(Br)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587673072 JXLHSNVTNCYTHC-MLCYQJTMSA-N 522.050 5.532 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CCCCCCCl)c3ccc(Br)cc3)c(O)c2C(=O)O1 962936702 PVHVSOROJOTRCJ-UBJPHBCOSA-N 689.430 7.494 50 1 KKGF O=CC1=C(Cl)[C@H]([C@@H]2c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)CCC1 963044416 WKNAJUQFJJYJGE-XUQXIDOOSA-N 578.011 6.758 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963071510 JNGXLVXLLRXUNP-STBUXKTCSA-N 845.167 8.725 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@](CBr)(c2ccc3c(c2)OC(F)(F)C(F)(F)O3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963183363 DPHRHHUXINNTOW-QABMSTFYSA-N 688.424 7.135 50 1 KKGF Cn1cc(C(=O)CCl)cc1[C@@]1(C(Cl)(Cl)Cl)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816856 HXIFDFOQBGWOOI-RUZDIDTESA-N 551.301 6.266 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cn([C@H]4O[C@H](COCc5ccccc5)[C@H](OCc5ccccc5)[C@@H]4OCc4ccccc4)nn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772602404 CIGVKNDUUCKHMS-HFAVFSSDSA-N 764.920 6.757 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CO 1857533766 PIWPKWRRHRILPF-ZPZHTWQZSA-N 537.505 5.338 50 1 KKGF Cc1ccc(C(=O)/C=C/c2cc3c(c(C(C)(C)C)c2)OC(N)=C(C#N)[C@@H]3c2c(C)[nH]c3ccc(Cl)cc23)cc1 1857631268 IINRTQXXPWKOEF-XGJWTVBASA-N 536.075 7.850 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356301873 ZFWOABHUGDODTL-DPNVQXPJSA-N 903.269 8.641 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@@](C4)([C@@]21O)[C@@]36C 2356350849 KPKKTPFPKAKNDS-WQAWFZLKSA-N 621.909 6.771 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@@H]5C[C@@H]6CCC[C@]6(C[C@H](O)CO)C[C@@H]5[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356362109 ARKQIJPFNXRXGQ-SIOKBMFXSA-N 972.283 8.316 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CCC5(CCCC5)C4)[C@@H]4CC[C@@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356475386 ZSJOCJIALNRXBA-UTIJRACUSA-N 869.071 5.956 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356492024 VBPKTZGJWVBPSM-FZALXBSSSA-N 523.851 5.704 50 1 KKGF C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@H]2[C@@H](C(=O)OC(=O)c2ccccc2)C[C@H]1C 2356586594 HBEBCPGUWLUVFW-UJOMEYJSSA-N 664.927 10.109 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356763207 AZZSWXNOPOAGTH-BJJBDTDSSA-N 913.294 7.849 50 1 KKGF O=C[C@]12OCSSC[C@H](c3cc[nH]c3)[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)c(-c4ccc(O)cc4)coc3c1)O[C@H](C(=O)O)[C@@H]2O 2356839271 LSERQKDEQQMFCX-FXVHRWAVSA-N 917.071 7.001 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356859286 SSYIRYVDDDPCOP-MCEGOFMASA-N 924.063 5.952 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356868631 XDXKFQWRJIZVHL-HSPUSZSSSA-N 741.976 6.748 50 1 KKGF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)C2 5835402 VZUKFDZKSHWIIL-HNNXBMFYSA-N 523.563 5.005 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(C(F)(F)F)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(C(F)(F)F)ccc21 26155709 HSEZITPLLAUQOF-UHFFFAOYSA-N 698.714 10.012 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C(=O)NC1CCCCC1 28562901 MCXXTDZZPGXXOS-NXCFDTQHSA-N 654.737 5.739 50 1 KKGF CCOC(=O)C1=C(C)NC(=O)N(P(=O)(NCc2ccccc2)NCc2ccccc2)[C@H]1c1ccccc1 84704865 KOFQWCKWUFOXQM-SANMLTNESA-N 518.554 5.278 50 1 KKGF CN[C@H]1CSSC[C@@](C)(O)CC[C@@H]([C@H](C[C@@H](OC(=O)[C@]23CCCC[C@H]2CCC(=O)N3)C2([C@@H]3CC[C@@H]4CCOc5c(O)ccc3c54)CCNCC2)OC(C)=O)CC[C@H]1O 85596695 UBSZCXOFLKNAPA-MNPKSDFTSA-N 846.166 5.850 50 1 KKGF biogenic,in-vitro COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907820 XMNSICPMAKKIRG-WJOKGBTCSA-N 635.646 7.867 50 1 KKGF Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CCC4)cc2c1 96907843 ICLYSTRYNAQSHC-PMERELPUSA-N 559.576 6.790 50 1 KKGF N#CC1=C(NS(=O)(=O)c2ccc(Br)cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 150549932 YAOHEDMZVDZQQS-AREMUKBSSA-N 708.443 5.728 50 1 KKGF CCC(=O)N1CCC[C@@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 169851906 IZSGUIXILFQTFT-FZEIZEJYSA-N 573.979 8.435 50 1 KKGF COC(OC)[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 208144483 AFQBLMMZPUHOKF-JBOQNHBVSA-N 600.989 7.146 50 1 KKGF CCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24OO3 254058092 ZHVQBIHGGSQOSC-BTRCPZDJSA-N 590.710 5.324 50 1 KKGF C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(Cl)(Cl)[C@@H]5C[C@H](Cl)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O 504098383 SJFDHZXYUNDKRM-YXGJBQRCSA-N 502.998 6.738 50 1 KKGF biogenic O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 587324370 YDAQOWRXUVOPIT-VIZCGCQYSA-N 572.386 5.981 50 1 KKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587682134 BFRWZLUPNKJSKA-KLNWILNISA-N 516.882 7.177 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587709897 CWYBTHFBFHUDNN-SFDCACGMSA-N 564.248 7.685 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr 587875053 NQVZVGLASWUBFO-UHFFFAOYSA-N 796.845 8.373 50 1 KKGF C[C@@H](Cl)C(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br 587878454 FCPMWBYGOYTQJN-GFCCVEGCSA-N 502.623 5.032 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@]2(c3ccccc3C[C@@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079226 JJDCNJIFQFOFJH-KHPQHOBGSA-N 766.581 8.206 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@]2(c3ccccc3C[C@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079255 JJDCNJIFQFOFJH-ODKXYEIMSA-N 766.581 8.206 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@]2(c3ccccc3OC[C@@H]2Br)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089084 QCFVRQKZHUGDGP-OHTDSXDOSA-N 616.555 7.390 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3ccccc3C#N)nc(Cl)nc21 963929611 VUBCLKRSEWOJME-RUZDIDTESA-N 537.849 5.339 50 1 KKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1772600263 VBYASTUMOHGPIL-IRWBXMRWSA-N 593.103 7.631 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356359581 NZBOHSUFZFKXCP-DEIWWDIGSA-N 719.020 5.559 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCO)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356365795 RXYOMWGCEABMTL-UXHDVOQFSA-N 946.279 6.278 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@@]34C)[C@H](O)CC1=C1CCCC2(CCCC2)C1 2356374282 RQCHEVOPAHJRPM-SSABKWLISA-N 807.220 9.265 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356486523 VZDZTJNMGHFQEZ-PSEPKWPASA-N 727.124 12.435 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356497546 QZDGXZBZNDHRCY-JPWCQMQDSA-N 920.296 5.911 50 1 KKGF CN[C@@H]1CC[C@@H]2C[C@]3(C[C@@H]21)C[C@H]1[C@H](C[C@H]2CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C2)[C@]1(C=CC[C@@H](C)C1)C3 2356503632 ODKIZCHYXINMPW-HSMZRUOFSA-N 685.100 9.818 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356858199 SXDSRTWPELZSGX-ZPPYOWFESA-N 941.318 8.170 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCCC1)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 85597364 MKVYLPQCQMASCH-DCHAWEJASA-N 789.073 9.175 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)[C@@H](NCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C 95583613 MMELXDCSBUMAAB-KXQOOQHDSA-N 638.834 9.719 50 1 KKGF COc1ccccc1CNCCCCCC(=O)NCCCCCCNCCSSCCNCCCCCCNC(=O)CCCCCNCc1ccccc1OC 95609668 GVDQTWABDKSZNY-UHFFFAOYSA-N 817.264 7.618 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4C#N)cc3F)ccnc2cc1OCCCN1CCCCC1 96283541 BYOMNPULZIGYQA-SEBMTOOBSA-N 596.663 6.457 50 1 KKGF CC(C)(C)N(C(=O)c1ccccc1Cl)N(SN1CCN(Cc2ccc(Cl)nc2)/C1=N/[N+](=O)[O-])C(=O)c1ccccc1 103209080 FMGNTSPJZFGUMX-ZXPTYKNPSA-N 616.531 5.615 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc2c(cn1)CC[C@H]1CCC[C@]21C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 150344700 DSDKZMMBAILFQX-BRDPJQHESA-N 941.178 6.412 50 1 KKGF biogenic,in-vitro C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@@H]4C[C@@H](CSSC[C@@H]([C@H](C)O)CCc5ccccc5Cc5cc(O)cc(c5)C45CCCCC5)C[C@@H]32)C1 150360360 SCXUEEWLUHQBFN-PPARSJTJSA-N 659.058 10.925 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@@H]2[C@H](C[C@]3(Cc4ccc(F)cc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253693018 XKKWJFZWAWKYNA-ROISOXMASA-N 656.744 5.906 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)F)cc1OC(F)F 587552553 AKYHDALVYWRILE-JPYJTQIMSA-N 543.263 5.847 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566995 DBOPOGGHOFMORN-NAKRPHOHSA-N 538.358 6.267 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Oc3ccccc3)cc2)([C@@H](C)Br)N1 587670336 KEOUSRBDEXCJEF-JOWJHRDDSA-N 519.252 6.942 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(F)ccc2Br)N1 587725812 GJLJPTRUBZXZPN-HUTHGQBESA-N 510.014 5.663 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](c2ccccc2)(c2ccc(CCl)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962399541 CSHSKQKBVVBBOY-BLPFIKBVSA-N 601.102 7.373 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCCCCCl)(c2ccc(Cl)c(Cl)c2)N1 963163898 SICCBONTHFGZLD-VQIIKMDRSA-N 699.122 9.316 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857542665 KRDGLJHBGVYYFD-OMJVMDRHSA-N 586.630 5.199 50 1 KKGF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c(NC(=O)Cn4cc(CBr)nn4)c3CC[C@H]21 1857630391 GFPNHMFISYUTGA-LPPUWEFUSA-N 531.495 5.118 50 1 KKGF Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1911578220 BYIYDAVRLGTFSH-UHFFFAOYSA-N 842.808 9.788 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc(ccn1)[C@]1(CCC2(CCCC2)C1)C[C@@]1(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]1O 2356299372 AYOWVKCQDWOWLU-GVMCUXPRSA-N 901.113 5.707 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H]3C)[C@]12O 2356353438 OCOAVSLDWWRZCV-BKDNTIDNSA-N 952.426 8.969 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(CCO)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)C5)c1O 2356356925 OKYYCYDLMBRMFX-IZDFKSOUSA-N 837.066 7.606 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356364621 ZNFDPSHWAGMTAU-YHFIGBKSSA-N 931.227 8.420 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H]([C@H](CCCO)SSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]21C 2356368975 CCBGRQXYODMXPV-DXZVXHPPSA-N 703.024 5.751 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSCC1(CCCCC1)NC(=N)N[C@H]2C=CC[C@@H]3O 2356376612 VFUCJKGYEFDMCE-PXIZHOCHSA-N 866.204 5.201 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)[C@@H]5CC[C@H](C[C@@]21C)[C@H]3[C@@]45C 2356414231 RQBXKLUYEOOAMR-RYKKACAESA-N 670.982 5.856 50 1 KKGF CCOC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C 2356432969 RBYRHDBWVSOLNG-YIVRIDFQSA-N 597.587 5.650 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356609555 FUOMRAZAFSYFRG-BPNFETJLSA-N 839.093 7.449 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12CC[C@@H](C(=CC=CC(C)=CCC=C(C)C)COC(C)=O)[C@@H]2O 2356611145 LMEBPARQXLCYCI-ZJBKTJKESA-N 682.983 9.233 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356628327 OYRBLQOMQZDVHI-VDLQOEEKSA-N 819.055 7.355 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356655969 DAVJUNNYDKQWTJ-DHLWTVOGSA-N 727.043 6.609 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]2O)cc(OC2CCCCC2)c1O 2356743304 RLVYDZYETBXAAK-HDXDOXORSA-N 738.965 7.809 50 1 KKGF O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCCCNC(=S)Nc3cccc(N=C=S)c3)CC2)c2ccccc21 27988535 AMKANZICHZVXTJ-UHFFFAOYSA-N 656.882 5.991 50 1 KKGF CS(=O)(=O)c1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1S(C)(=O)=O 29393715 RVYRAAJTCUBBHI-UHFFFAOYSA-N 687.076 5.054 50 1 KKGF C=CCO/N=C(/C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 95584746 WGDOECSYODBCCA-QLYUZHBISA-N 631.807 6.436 50 1 KKGF C=C(/C=C/C=C(/CO)[C@H]1C[C@@H]2CSSCC/C(C=O)=C3\CC[C@@](C)(O)[C@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C 103525742 GJNUMDKBDYSSDZ-QXPKNSCZSA-N 576.865 5.961 50 1 KKGF biogenic,in-vitro CNCc1c(O)c2c(c3c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@H](CSSC[C@H]1O2)C3 150343181 VMVNJACIQVYSMQ-VJDHQRHVSA-N 927.202 8.681 50 1 KKGF biogenic,in-vitro C[C@H](C/C=C/c1ccccc1CCCNC1CCCCC1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 150343982 VRYJPSUSAWDPJS-VKGHSBNISA-O 1010.220 6.441 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 150347717 YVNFBYLROPRONE-WXVKSNDESA-N 873.147 8.668 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCN(Cc5ccccc5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 150612702 MPJLJNUQEDAJRZ-LQJNQCGASA-N 642.635 5.847 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC3(C[C@@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)CO3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169289976 DDYNFKIYCLNEIZ-HPMHAPIBSA-N 604.781 6.037 50 1 KKGF CCOP(=O)(OCC)O[C@@H]1C[C@@H](n2cnc3c(N(CC)CC)ncnc32)O[C@H]1CO[Si](C)(C)C(C)(C)C 195769277 ABAHDYXYXVVXMY-AABGKKOBSA-N 557.705 5.548 50 1 KKGF C[C@@H]1N[C@H](CCCCCCCCCCC/C=C(/C=O)CCCCCCCCCC[C@@H]2CC[C@H](O)[C@H](C)N2)CC[C@@H]1O 238751596 VQQFMYFBGVBDNZ-IFUGEFGDSA-N 576.951 8.307 50 1 KKGF C/C=C1\C[N@+]2(CCl)CC[C@@]34C(=O)c5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N[C@@]12CC[C@]3(CC)CCC[N@+]1(CC[C@@]62O)C3 255271749 UNSVXWLMALKESW-NFAUVZIQSA-O 713.319 5.537 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587327390 FWCOAJNDXCMHID-UHSQPCAPSA-N 576.398 7.687 50 1 KKGF O=C1C[C@@](c2ccc(Br)cc2)(C(Br)Br)Oc2c1ccc1c2CCCC1 587501982 ZQIUPMJYXIPMSL-HXUWFJFHSA-N 529.066 6.305 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 587672255 FIKGWEKXETZNCG-ASSNKEHSSA-N 520.281 5.360 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 587689497 TWDWJBXHZZHFKN-YHAMSUFESA-N 503.887 7.136 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 587847061 FOYNXYIXCNGNEE-GDJIYFAZSA-N 504.383 5.970 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](c1ccccc1)(c1c[nH]c(C(=O)NNc3ccccc3)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962641496 XQTPHDXGKMWYSS-DODOAAEWSA-N 594.668 5.513 50 1 KKGF CCCCCCCCCCCCCC[C@@]1(CBr)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962665212 LPENTYMNYJDYGT-LOYHVIPDSA-N 545.606 8.015 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(C)c(C)cc1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808168 ONZAQDMMFJRDCO-WJOKGBTCSA-N 531.052 5.860 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1857600766 SSKRCIAXDUUVEC-FZCBKRAZSA-N 618.734 6.138 50 1 KKGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cc(Br)cc(Br)c1 1857608543 OHSFKJDDLYRELJ-KPSZGOFPSA-N 555.846 5.206 50 1 KKGF COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@H](N)Cc1ccccc1)C(C)(C)C 1857613099 SVEGMNKHZVDHDG-CMOIXWRPSA-N 852.046 5.333 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4cccc(Cl)c4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4cccc(Cl)c4)cc23)cc1 1857641049 GRRHTMFJPGEZFF-FTNJMUCTSA-N 697.626 8.972 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccsc1 1857762302 NIGLFRRPVQIMDZ-HRCFTYQPSA-N 647.838 7.618 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)N3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857768911 QOUZFYKKORKAID-MQLFSVAMSA-N 944.077 6.461 50 1 KKGF C=C(CO)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2C=C(C)CCC=C(C=O)[C@H]1OC(=O)C(=CCCC(=CCCC(C)=COC(C)=O)COC(C)=O)CCC(=C)C(C)C 2356316080 BPCGMFPONKVIER-YOEXWAKESA-N 764.909 6.757 50 1 KKGF CCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356350428 BXOURQXHFKFJDA-OBGFIHANSA-N 846.128 8.566 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356359081 CSCFJGDLHRKYND-JKHPVPCQSA-N 847.147 5.017 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@@H]4C=C[C@@]12C[C@H]4C3 2356667188 KRYDUCHZFSFIFY-YHVURUDVSA-N 694.107 11.463 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](OC(C)=O)c1cc(O)c([C@H](CCCC)CCCC[C@@H](C)[C@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356714670 GTRRNAAYKNENPF-CNJRFPCSSA-N 705.373 10.882 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1C1=CCN=C1 2356809376 AQIYRFYTWHTRFI-NBGXSDHYSA-N 901.093 5.086 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNC1=CC(=CCN1)C1(CCCC1)C[C@]1(O)[C@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356811710 BQEHTGMZURRFMY-YHXUDBOWSA-N 917.156 5.442 50 1 KKGF CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@@H]1O 2356839345 LTMVZCWRFNDCOT-HKAZQZETSA-N 915.235 7.924 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 2356856767 SDHLFLNRHRJLKH-DKOCZDKJSA-N 861.099 5.823 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C2=CC=C(C=O)[C@@](C)(/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 42806395 JHCJKXALYCOPEL-VUPLPOHNSA-N 550.871 11.619 50 1 KKGF Cc1cccc([P+](Cc2ccc(Oc3ccc(C[P+](c4cccc(C)c4)(c4cccc(C)c4)c4cccc(C)c4)cc3)cc2)(c2cccc(C)c2)c2cccc(C)c2)c1 95551715 FINZRRHMAUENBI-UHFFFAOYSA-N 804.995 12.318 50 1 KKGF CC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 101558706 YLBQHEKHEQVFLJ-RSBZPSGXSA-N 516.763 7.183 50 1 KKGF O=[S@@]1c2ccc(Cl)cc2C[C@H](SS[C@@H]2Cc3cc(Cl)ccc3[S@](=O)c3ccccc32)c2ccccc21 102946258 HDJWIAKCZPDXOF-ZQHHOYQTSA-N 587.640 8.603 50 1 KKGF C=C[C@]1(C)C=C2C(=O)C[C@H]3[C@](C)(C(=O)OO[C@@H]4C[C@H]5C(C)(C)CCC[C@]5(C)c5cc(O)c(C(C)C)cc54)CCC[C@]3(C)[C@H]2CC1 139818312 DWLHCWUIQVURCE-KCACFXOTSA-N 616.883 9.833 50 1 KKGF Cc1cc(Br)cc(C)c1/N=C(\OCCN1C(=O)c2ccccc2C1=O)SS/C(=N/c1c(C)cc(Br)cc1C)OCCN1C(=O)c2ccccc2C1=O 150605956 FASNDHJKMYBUGP-WWUXXHOVSA-N 864.638 9.127 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(\C=O)C[C@@H]1O[C@H](C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@@H]1[C@@H](O)O[C@H]2O 255207666 DTLZPCKDXBLCCL-ATAZPWTRSA-N 622.931 8.546 50 1 KKGF COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc1OC 299822734 DESHXEYHDREHMH-SANMLTNESA-N 512.562 5.415 50 1 KKGF Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cnn1-c1ccc(Cl)cc1 587076292 UYNYUYRPPXLSNK-UHFFFAOYSA-N 513.717 7.797 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1OCc1ccccc1 587327314 OYPYFGQFZGXSDI-LMSSTIIKSA-N 505.973 6.072 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 587537155 BENPXIRNBPKVCM-LSYYVWMOSA-N 562.372 6.131 50 1 KKGF COc1cc(Br)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587671951 BXSHSQYFIXGJNZ-DGIBIBHMSA-N 552.076 5.541 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 587724120 ZKHURNQWKJGIAS-XLFHBGCDSA-N 531.569 6.313 50 1 KKGF Cc1cc([C@]2(CCCCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 962474339 JVFFBOCOSAKYNJ-KAODMTDESA-N 585.075 7.052 50 1 KKGF Cc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(C)c(C)c3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1C 962938477 WRRYWTQOEBRWEW-NHRHCQIASA-N 745.066 7.422 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCCCCl)(c2ccc(I)cc2)N1 963175927 MTUQLUVFVHDFQK-OXJNMPFZSA-N 572.192 6.215 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1Cc1ccc2c(c1)OCO2 963176454 IEEXRNHEDYBAMU-KBMIEXCESA-N 555.380 5.635 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21C=C[C@@]2(C)C(=C1)CC[C@H]1[C@H]3C[C@@H](C)[C@@](O)(C(=O)CCl)[C@@]3(C)C[C@H](O)[C@]12F 963862604 CUBDBEQSZVDMED-AHXCLKEWSA-N 686.261 6.414 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@H](c3c(C)nn(-c4ccccc4)c3Oc3cccc(C(F)(F)F)c3)C3=C2CC(C)(C)CC3=O)cc1 1857552251 UPSUCTARXQNAND-WJOKGBTCSA-N 654.693 7.764 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857597057 NISXTRKJPVXKCS-MRXNPFEDSA-N 558.425 5.434 50 1 KKGF CC1=C(CCCOC(=O)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C(=O)C(C(C)C)=CC1=O 1857629859 BMALXAORBHAWIF-VVRCHDOPSA-N 530.658 5.001 50 1 KKGF Cc1cc(=O)oc2cc(OCCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)ccc12 1857635077 UXNOSHSREVMEKA-BMKTWLKUSA-N 500.588 5.095 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 2356353057 HFFJRTINSKCJKG-MFTGQUFHSA-N 774.998 7.737 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356367060 VQPOSIJMTDFNAE-VKGUILPBSA-N 810.985 6.874 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@H]41 2356373944 KVYUQLUBYBPXHB-NJJWTDSOSA-N 920.296 6.229 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NCCCCO)c1cccc(CO)c1)CC(=O)CC2 2356434849 GTNWTMPSXPSDCU-GSSDHLSPSA-N 705.939 7.822 50 1 KKGF CC(C)(O)[C@H](O)CC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 2356486993 LDQVWFLDLPYOLQ-JJBBYCAISA-N 605.651 5.184 50 1 KKGF C=C(C=CC=C(C)CCC=C(C)C)[C@@H]1CC[C@]2([C@H](CCCOC(=O)CCCCCCCCC)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O 2356535295 STJFJPTXDBOCEX-MPCVKWKPSA-N 624.947 9.689 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@@H]2O)c(O)c(OC)c1O 2356634317 FIAPBEXBCPVUES-TWDGLGJFSA-N 710.867 6.120 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@@H]4[C@H](C)[C@H](C)CC[C@@]4(C(=O)O)CC[C@]23C)C1(C)C 2356637005 DIXPDWXERFUNQD-BISTYWHOSA-N 530.746 7.128 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356650844 SYHWJNTYSOQCHD-DFLFSWPZSA-N 732.914 5.310 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@H](O)C3CCC(O)CC3)C2)[C@@H]1[C@H](O)C(=O)O 2356713409 HUNBBHIXGASXDJ-WQAVHEKFSA-N 740.041 5.530 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CC[C@](CC)(C#C[C@@H]3C=C12)C[C@@H](NC[C@H](C)O)C4 2356845807 OHTUFWHVFZAGPO-SQCGQEHRSA-N 903.265 5.674 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 2356865638 VKVGNVGHMWVEFX-MDOJLIHCSA-N 845.100 6.117 50 1 KKGF O=[P@@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2Sc2c(ccc(Cl)c2Cl)O1 1855867 XJVRODHTQOHLNA-SANMLTNESA-N 507.590 7.457 50 1 KKGF O=C(NN(CCCc1ccccc1)CCCc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641027 XBZQEBDBPCTDSY-UHFFFAOYSA-N 557.782 7.915 50 1 KKGF c1ccc(P(CCP(c2ccccc2)c2ccccc2)CP(CCP(c2ccccc2)c2ccccc2)c2ccccc2)cc1 49672476 SPCAEKFEXSKDLL-UHFFFAOYSA-N 656.667 8.825 50 1 KKGF CCCOc1c(C(=O)N/N=C(\C)c2cc3ccccc3oc2=O)sc(C(=O)N/N=C(\C)c2cc3ccccc3oc2=O)c1OCCC 49709235 QLGHXFITQAVGBH-CQFWSYKGSA-N 656.717 5.847 50 1 KKGF Cc1ccc(-c2nc(CC(=O)N/N=C\c3ccc(OCC(=O)c4sc(-c5ccccc5)nc4C)cc3)cs2)cc1 66066504 HAYBYGPQWOUGJC-KYHGBAKBSA-N 566.708 6.505 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCCC1)c1cccc(CO)c1)CC(=O)CC2 85597403 LOAFKNPDUCEWBR-HQIVZWIISA-N 715.978 9.382 50 1 KKGF biogenic,in-vitro CC1(C)[C@@H](Br)C[C@H](O)[C@@](C)(Br)[C@@]12Cc1cc(Br)cc(Br)c1O2 86000761 XFHOHAJNGJCMHI-YXAMBPQSSA-N 561.934 5.593 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@H]3CC[C@]2(C)[C@@H](Br)CC1 141029666 FAZRQMPAZJJPQF-UAGSZKROSA-N 584.389 7.245 50 1 KKGF CNCC[C@H]1C=C/C(=C\C[C@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@]3(C=O)OCSSC[C@H]2C2=C[CH+]N=C2)c2ccccc21 150343940 KWZRMIOYULAHFX-DWWAAVCLSA-O 966.124 5.219 50 1 KKGF biogenic,in-vitro C[C@@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CCCCCO[Si](C)(C)C(C)(C)C)CN(CCCc3ccccc3)C2)C1=O 195273976 CKNXXBNBTNALCM-YZRKUJAWSA-N 648.961 7.896 50 1 KKGF CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(C(=O)NN)cc2[nH]1 587201316 XTFHWIMQQLLQAC-LJAQVGFWSA-N 612.731 5.783 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)(C)C 587410257 WMUPIYGSOGMTHT-LHEWISCISA-N 721.963 10.249 50 1 KKGF COc1cccc([C@H]2C[C@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 618017742 XWIVZYYGJHPDHO-PMACEKPBSA-N 586.607 5.013 50 1 KKGF CCCN(CCC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 653727889 GFNMVPXRAHNQOV-QVTSOHHYSA-N 519.045 5.479 50 1 KKGF C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@@H](OC(=O)c3ccccc3)[C@@H](OC(=O)/C=C/c3ccccc3)[C@@H]3[C@@H](OC(=O)CCl)[C@]12OC3(C)C 653728034 JOQCMLSYCIBRET-OYZRQYOXSA-N 637.125 5.453 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C)cc1)([C@@H](Br)C(=O)c1ccc(C)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962706970 MVPVYQIRPKJYRS-UZNNEEJFSA-N 666.534 7.928 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 963198477 VPNHSOBDDOIUDM-RPWUZVMVSA-N 553.344 7.486 50 1 KKGF C/C(=C\CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CBr)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 1772573986 VKTRODJCYYRCOK-XPGRFTRLSA-N 581.676 7.446 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1ccccc1Cl)c1ccccc12 1772622578 KAXVKPVZEFFWOL-PSXMRANNSA-N 633.071 6.089 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCCOCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857603917 OFGNBPQUZRJEET-XRHVDYGASA-N 628.141 7.297 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(NC(=N)N)CSS[C@H]4CO)O[C@H]21 2356297473 UXDVXSBLVRZNEZ-GLPXZELMSA-N 821.031 5.787 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356350908 MEDQKCURUCEKPJ-XXWVHMTQSA-N 945.254 8.983 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@@H]2O)c1O 2356355975 XGWSZTGXCWXFHU-WIPVTMMYSA-N 742.953 7.228 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]2SSC1 2356363656 LEDBRCQWCQYGTC-WLEPQHJUSA-N 696.123 11.687 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](C5)c3cc(O)ccc3-4)[C@@H](C)CCSS2)cc(OC)c1O 2356373433 AFKANJMTEOXQHA-RHADLDBLSA-N 636.832 7.598 50 1 KKGF CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@H]3C(C(C)C)=C(C=O)C[C@]13C)C2=O 2356390594 AEVDRGYEHJFKLT-XQFMFFTESA-N 508.699 6.673 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 2356407171 ROLOCADEZILRGJ-LKUNJPGPSA-N 512.731 5.360 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(C)O)[C@@H]1O)CCC=C(C)C 2356407173 ROLOCADEZILRGJ-SGSOZKIFSA-N 512.731 5.360 50 1 KKGF CO[C@@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@H]1C(=O)[C@]3(CC=C(C)C=O)OC2(C)C)OC(C)(C)C=C4 2356445820 PSPHEZYRWQNMDW-ZAFRTDOISA-N 576.686 5.332 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)O[C@H]([C@@](C)(O)CC[C@@H](O)[C@@]4(C)CC[C@@H](C(C)(C)O)C4)CC[C@@H]3O2)CC[C@@H]1Br 2356564985 KIRZKILDCHMWNV-UYQXWPOQSA-N 603.679 6.052 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H]1O 2356692807 LOIXDLJXZACZEY-KODCUZTNSA-N 765.643 11.315 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1C=C[C@H]4CC1 2356824139 GSWKIRPBJKKPDT-PBWYMZTFSA-N 849.048 6.002 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356841515 NJPUDJCMEOMTCY-MQKATLCGSA-N 847.113 5.015 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356850621 PROTXRDBJPCNCE-NDZLFQIWSA-N 883.187 11.782 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc(NC(=O)OCc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC 1857881 YWYPFRDDRJYERQ-SFHVURJKSA-N 595.008 5.833 50 1 KKGF COc1cc([N+](=O)[O-])ccc1COC(=O)Nc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 26502733 JURAFGSWJGGIDL-HXUWFJFHSA-N 675.094 6.995 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@@]3(NC(=N)NCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 85597192 RZLVWQARDAHDBP-FDXGJGPNSA-N 782.982 5.392 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H](C/C=C(/C)[C@H](Cl)C(Br)Br)[C@](C)(Br)CCl 103293131 DTCZNJROCVEBBU-IFABKDCLSA-N 503.884 5.370 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@@H]1C)OO2 169297820 YJMSUCOCLCDMIR-YBDRUERWSA-N 675.904 7.184 50 1 KKGF CCCCCC/C=C\CCCCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 238738323 SBWPODCMBUGMQH-NDFSUWRDSA-N 739.179 13.200 50 1 KKGF COc1ccc2c(c1)c(CC(=O)OC[C@@H]1C[C@H](Cl)C[C@H](c3cccc4ccccc34)O1)c(C)n2C(=O)c1ccc(Cl)cc1 473235057 JKXGMFYYODHUJX-TZTHSTJISA-N 616.541 8.067 50 1 KKGF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 586954244 FUDBYNAXQRMLSR-UHFFFAOYSA-N 596.441 7.704 50 1 KKGF C[C@@H](c1ccccc1)N(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587200517 GKWJQIFUTWEYBI-FQEVSTJZSA-N 599.625 9.733 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 587321019 BYXXHDQFCRJADX-IXCJQBJRSA-N 554.843 7.195 50 1 KKGF O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537132 AVFIJBCSCXUHCB-POURPWNDSA-N 559.412 5.930 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 587684471 KPGDJMHAEDXKAN-SHZVTRLKSA-N 513.794 5.136 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587722074 YDBJITKOTSTBNM-AUXWNJNRSA-N 693.069 7.464 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Br)[C@H](Br)c2ccc(F)cc2)N1 587733255 LBOVYUQONQFQDY-RQXAPTRJSA-N 618.129 7.544 50 1 KKGF C[C@]12CC[C@H]([C@@]3(C1=O)c1cc(F)c(F)cc1C[C@H](C(=O)O)N3C(=O)OCC1c3ccccc3-c3ccccc31)[C@@]2(C)CBr 963037218 KKRBQZNYDNEHMP-IECGYASDSA-N 650.516 6.821 50 1 KKGF CCOc1ccc([C@@H]2c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 963068792 GGVYKRCNUXTMBT-XXKIVBBDSA-N 749.518 5.811 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2c(F)cc(Br)cc2F)N1 963188125 VPHAXMBKQFOGPK-RHSMWYFYSA-N 563.542 5.637 50 1 KKGF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccc(Br)cc3)O2)cc1O 1772571831 GZCMJCGBYFEHNO-MHZLTWQESA-N 538.394 5.788 50 1 KKGF COc1cc(NCCCCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(F)cc1 1857639008 XIZMMQOCLXDVFF-UHFFFAOYSA-N 659.799 7.697 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356362625 GSODGMODDQYBSA-IDNKOAPISA-N 757.069 5.972 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356363208 JXGFNBDDZQLXKE-XBDDBOKFSA-N 783.107 6.362 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]41CCC[C@H]5[C@@H](O)[C@@H](O)C1 2356366533 KZIPILLGHQBMAR-DORLJTAHSA-N 880.223 6.607 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C)=CC=CC=C(C)C=CC=C(C=O)CC[C@H]1C(C)=C[C@H](O)CC1(C)C 2356375637 FJWGLEVADWWUFR-LYDQXETESA-N 584.885 9.806 50 1 KKGF CNCCCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356390091 PXEOIAVBWGUUPB-VUGVKUDJSA-N 889.197 8.156 50 1 KKGF COc1ccccc1[C@@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c1ccccc1OC 28218253 UWHKWKADTIIEMT-ACHIHNKUSA-N 650.996 5.331 50 1 KKGF O=C(SC[C@@H](CN1C=CC=CC=C1)SS[C@@H](CSC(=O)N1CCOCC1)CN1C=CC=CC=C1)N1CCOCC1 28872748 YRAPNCRVVUHDEJ-CLJLJLNGSA-N 622.904 5.274 50 1 KKGF CCc1ccc(C2OOC(c3ccc(C(=O)NCCCNc4ccnc5cc(Cl)ccc45)cc3)OO2)cc1 72175421 KHMPNKLWSMUQJG-UHFFFAOYSA-N 534.012 6.290 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2cccc(Cl)c2)c1 103184454 AAYUILPTCLRKIS-XZOQPEGZSA-N 587.257 6.299 50 1 KKGF C/C(=N\NC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1)c1ccc([N+](=O)[O-])cc1 103192602 COXQXPBITPVULW-WGOQTCKBSA-N 521.628 5.055 50 1 KKGF COc1cc(/C=C/C(=O)N(/N=N/c2ccc([N+](=O)[O-])cc2Br)c2ccc([N+](=O)[O-])cc2Br)ccc1OC(C)=O 169312062 DQSDVTNUGSLUJX-JKNCFJNVSA-N 663.235 6.707 50 1 KKGF CC[C@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 210368553 PIKGTHQHRNGUND-MFERNQICSA-N 729.841 9.023 50 1 KKGF CCOC(=O)[C@H](CSSC[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C(=O)OCC)NC(=O)CCN1c2ccccc2Sc2ccccc21 473127136 UXIWCVYUGMLZSK-NSOVKSMOSA-N 803.066 7.850 50 1 KKGF Cl[P@@]12=N[P@@]34=N[P@](Cl)(=NP(N5CCCCC5)(N5CCCCC5)=N1)Oc1ccccc1CN3CCN4Cc1ccccc1O2 473235327 XFPLDABCDQYLQX-LIHJDWACSA-N 687.430 10.037 50 1 KKGF Cc1nc(COc2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cs1 587020219 IHQMAGFPCFDRBM-UHFFFAOYSA-N 526.350 7.994 50 1 KKGF O=C(N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)O)OCc1ccccc1 587202227 GTUMRNTVZZEXTM-CQSZACIVSA-N 544.296 5.905 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322888 PKXBMUOHTQOLAL-XRKRLSELSA-N 615.282 7.474 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587328631 JSIAWFZFTMUKEM-RBBKRZOGSA-N 574.162 6.962 50 1 KKGF COc1cccc(-c2cc(-c3ccc(N4CCN(C(=O)CCl)CC4)c(F)c3)nc3c2oc2ccccc23)c1 587361032 UZZYLPQHLHXVIU-UHFFFAOYSA-N 529.999 6.350 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)[C@H](Br)c1ccccc1)CC2=O 587453079 PAVCZYBANPQBLD-LGPLSSKUSA-N 544.283 7.105 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587712705 BLYNWDWRSZKJMY-IYRCFPQASA-N 693.069 7.464 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C(=O)c1ccc(Cl)cc1 963029329 UNLSVMDPVXJUOA-IPZQJPLYSA-N 628.943 8.257 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 963175999 HHVDNBGLDBOPJZ-MPGHIAIKSA-N 518.212 5.079 50 1 KKGF CN1CCc2c(Br)cccc2[C@@]1(/C(C#N)=C/Nc1nc(-c2ccccc2)cs1)C(C)(C)C 963271921 XMKUJQIJTKRTNZ-DXCHCPKQSA-N 507.501 6.821 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCN(Cc3ccc(Br)cc3)CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857607398 HIRBZILQKSFZAW-PPZQIWMTSA-N 770.850 6.674 50 1 KKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@]12C(=O)N(Cc1ccccc1)c1ccc(Br)cc12 1857619455 JLCYNQQFWWVUED-MGBGTMOVSA-N 618.443 5.847 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356366236 COJHEZAKCBORHS-GMWXHKLWSA-N 885.151 7.403 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356370053 MAXYPJDNACDEOB-XNQZWTRFSA-N 843.253 9.431 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356415672 SAUYSCRSSSRBBY-KFQXVIFRSA-N 801.122 5.988 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc(c(Cc6ccc(NO)cc6)c(=O)c5c3OC3CCCC3)[C@H](O)C[C@@H](NC(=N)N)CSSC4)O[C@H]21 2356445171 XKMRDHOVSRVVSD-CSVYKQFTSA-N 682.865 5.456 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(CCl)=C[C@H](O)[C@]4(C)CC[C@@]23C)C1(C)C 2356466905 WLMOBFMSWMCZEY-LZYJGXLVSA-N 519.210 7.785 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356482690 RDFUUOFYZDJOQO-IAKMVJEWSA-N 857.186 5.883 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](CCOC)C3)c2O)C1 2356487100 OPPJIYPQDGXOJL-WQQAKRRHSA-N 797.141 8.513 50 1 KKGF COC[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@H]3C1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC5 2356528286 SQQXCOREYNSZEB-OAFBXRNOSA-N 945.258 5.836 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@@]4(O)C1=CC3=O 2356551637 MOJYGLPVUZPANX-QWGFWBQJSA-N 940.319 7.342 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@@H](O)C1 2356609434 AFQCFHZNGHTGNS-FLTLYQDGSA-N 869.122 7.348 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@H](O)C3CCC(O)CC3)C2)[C@@H]1[C@@H](O)C(=O)O 2356713407 HUNBBHIXGASXDJ-HSWMPZIDSA-N 740.041 5.530 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@@H](O)[C@@H]1O 2356732745 SLBUHAQMZGDGBR-SYSDEDEGSA-N 904.245 6.773 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H]3C)[C@]12O 2356767769 HKXCLNJZDBNSBO-TZBONNNLSA-N 908.373 9.000 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4ccccc4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356769471 GIKXGJREXJIHPY-DGSBOUMGSA-N 915.320 10.143 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356827687 IOMHUFOOZJEAKK-CHKJBPGOSA-N 597.887 6.122 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@@H](O)c2ccc1c3c24 2356829952 JCKAAFJAMXOJJG-NWZUCHOGSA-N 953.240 7.649 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@](CCO)(CCc4ccccc4)C[C@@H](O)CC[C@H]3OCCO)C=C12 2356839198 LRTAZGSHAYWFJZ-DVADMIQUSA-N 984.335 6.298 50 1 KKGF COC(=O)C1=C(C(=O)NNc2ccccc2)N(c2cccnc2Cl)C(c2ccccc2)=C[C@H]1c1ccccc1 1858590 UGXSAVCHGLFGQE-DEOSSOPVSA-N 537.019 5.950 50 1 KKGF Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 3943662 UMJRMVXYGBMFFD-GOSISDBHSA-N 539.975 6.909 50 1 KKGF Cc1ccc2c(COc3ccc([C@@H]4[C@@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)cc(=O)oc2c1 49709739 BXXNRHGQAUNVRE-JWQCQUIFSA-N 524.798 6.138 50 1 KKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H](Br)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 49867580 DYDPVOLWLHYCAX-XSZPBCIYSA-N 563.661 8.855 50 1 KKGF COc1cccc(/C=N/NC(=O)COc2ccc(N3CC4=C(CC(C)(C)CC4=O)N(c4ccc(Cl)cc4)C3)cc2)c1 64559848 WDKDJQQMBLDGKY-FABQOPTDSA-N 573.093 5.805 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H](CO)CCCO)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 85569351 NZSVPOHVCYIHDN-ZQAZVOLISA-N 735.965 7.737 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@H]34 85594560 XLLSOMQHTJKUJM-BIEKIGCRSA-N 772.990 5.266 50 1 KKGF biogenic,in-vitro COc1cc(N[C@@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 103250408 NOZKJPFGJYQDDL-SETDQBEBSA-N 551.728 6.363 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)[C@@H]4CCCCN4)[C@@H]3CC[C@@H]2C1 169852218 JEJIRIPSVOBZDX-PORWMNAOSA-N 517.915 7.929 50 1 KKGF CCCCOC(=O)CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)c1ccc(N(CCCl)CCCl)cc1)[C@@H]23 473086996 JKXPMVIIUDPBJC-ZLMHUZRLSA-N 566.614 5.799 50 1 KKGF C[C@H]1C[C@H]([C@H](Br)C(C)(C)OCc2cn(Cc3ccccc3)nn2)O[C@@]12CC[C@]1(C)C[C@H]3[C@H](C(=O)C[C@@]3(C)O)C(C=O)=CC[C@@H]21 473112750 GEWVEOUTXPCOHH-CBGFXHDTSA-N 668.673 5.841 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586952948 OGRBBMRNHIJVOU-SFHVURJKSA-N 556.579 6.073 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Cl)CCl)[nH]c3cc21 587009125 WMRLRSBQMVMOPZ-HXUWFJFHSA-N 553.354 5.500 50 1 KKGF FC(F)(F)c1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(I)c1 587179497 WRSIGJZIWMCCEF-UHFFFAOYSA-N 514.179 7.511 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189465 CBGKTAPBJBHPEK-BBURBPSPSA-N 676.096 7.406 50 1 KKGF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587267303 WUWAYXJRYOHYPH-WJWGPLDTSA-N 562.271 6.333 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 587341722 ZUTWSPRHAZFFLW-JKYYMCRXSA-N 558.609 6.462 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Br)[C@H](Br)c1ccccc1 587537482 GDKSXDTWGWAFLL-JZTSUELASA-N 580.272 7.149 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@@H](Br)[C@@H](Br)c1ccccc1 587537483 GDKSXDTWGWAFLL-LSGCGUROSA-N 580.272 7.149 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)(F)F)cc1 587719866 LYSFDBRSICCJAC-ZLOXQWCVSA-N 545.802 6.911 50 1 KKGF COc1cc([C@@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)ccc1I 962635294 NAMFNFOJNRSOBC-GJZUVCINSA-N 589.315 5.685 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc3c(c1)NC(=O)CO3)([C@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672153 AWHIDASQZJJPGA-DEXQXJORSA-N 574.983 5.623 50 1 KKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963143802 VBYNCZULTAVREX-HKBQPEDESA-N 550.099 5.986 50 1 KKGF CCOC(=O)c1c([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n(CC)c1C 963190015 XTWNBVNEUPXDTB-OYHNWAKOSA-N 521.363 5.055 50 1 KKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356374929 KMCAYUSNEOYNIP-ADNHOPRCSA-N 731.027 9.136 50 1 KKGF CC(C)Cc1cccc([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@H]24)c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c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(C(C)(C)C)cc1)c1cc(C)ccc1O 40401585 QHMAHOHMAGIKQF-UZWMFBFFSA-N 515.057 6.717 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc(F)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84654516 JVFFDHAZXVIGAF-GBBLVPQKSA-N 561.620 5.060 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@]45CC[C@@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)[C@@H]2CC(CCO)=C[C@H](C2)SS5)c1O 150342842 DBTQBCTYKTVJRD-BSFALGBFSA-N 863.104 7.996 50 1 KKGF biogenic,in-vitro COc1cc(N[C@@H](C)CCCNCc2ccc(CO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 150598711 KMUWMAAXVZWHMR-GZLSLOECSA-N 645.841 7.338 50 1 KKGF CN(CCCCCl)[P@@](=O)(C[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl)OCc1ccc([N+](=O)[O-])cc1 169325846 XGDDLHOUDZFWKV-GYOJGHLZSA-N 653.437 7.482 50 1 KKGF C[C@]12CO[C@]3(P(=O)(c4ccccc4)c4ccccc4)C[C@@H]1CC[C@@]23CP(=O)(c1ccccc1)c1ccccc1 169715562 UIBHSDQMFKDEOB-YKFOITPPSA-N 552.591 6.548 50 1 KKGF CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)NC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 195439332 MWEJMIRHNUPDOA-VBHAUSMQSA-N 680.012 6.562 50 1 KKGF COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 195459699 PJOPKLREECSBRZ-UFCWFAHBSA-N 786.180 9.967 50 1 KKGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 254124541 JJQGOUALJFARBW-APFGWNSXSA-N 539.883 6.116 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054182 CVAUKBPSLQTKPJ-AUWJEWJLSA-N 531.197 7.012 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(F)cc1 587319479 BVLOYHBOVUQSEA-VWNXMTODSA-N 501.735 6.580 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587319684 COINZOYEOSSYLH-ONBPZOJHSA-N 526.402 6.164 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587321232 CSDPBURFSVWVDG-KZMKWDEUSA-N 576.407 6.598 50 1 KKGF Cn1cc([C@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587504014 DSBNVZGJGUEHJP-DVTRTSIKSA-N 570.586 8.035 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(I)cc1 587568300 HILULMGSZHEELP-WIYYLYMNSA-N 537.147 5.249 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)CCl)n2)cc1 587897474 FOZOGQFJKIPBTN-UHFFFAOYSA-N 582.940 6.599 50 1 KKGF COc1cccc(C(=O)c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1 587933078 UKRAOTBZWHRYBK-UHFFFAOYSA-N 533.316 7.889 50 1 KKGF CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587939582 GVCBUIUXBJIAKF-FVTXVMOTSA-N 813.386 5.216 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CBr)(c2ccc(F)cc2O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962472370 FVRZTCNSWITSJW-NEEKEDPPSA-N 603.444 5.825 50 1 KKGF COc1ccc2c(c1)[C@]1(CC(C)(C)CC3=C1[C@H](c1cccc4ccccc14)C(C#N)=C(C)N3)N[C@@H]1CC[C@@H]21 962998780 VWBUSWDNGZYBBF-JVHVEQPWSA-N 501.674 7.152 50 1 KKGF CN1C=C(OCc2ccccc2)[C@]2(C=C1CCl)c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963089271 GOFXYNBDCLQLEJ-HPJJWIKHSA-N 653.222 8.312 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1ccc(C(F)(F)F)nc1O 963192143 ITURNLDNPORNJO-OFNKIYASSA-N 502.334 5.567 50 1 KKGF COc1cc2c(cc1OC)[C@]1(C=C(CCl)N(C)C=C1OCc1ccccc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963816642 GJBPIXPPGOFASR-UMSFTDKQSA-N 598.099 5.774 50 1 KKGF O=[N+]([O-])c1cc([C@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)ccc1Cl 963819410 WUKOSVOZCMPMQF-VWLOTQADSA-N 526.818 6.093 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1c(-c2ccc(Cl)cc2Cl)noc1C 963842269 WUCJWFWHQHRTQX-WHLCRQNOSA-N 624.359 7.540 50 1 KKGF Cc1[nH]nc2c1[C@@](c1cc(-c3ccc(OC(F)(F)F)c(C(=O)O)c3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772601702 SMYLHEZMZCMQOU-XMMPIXPASA-N 566.458 6.029 50 1 KKGF Cc1ccc(C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC(C=O)=C(n6cnc7ccccc76)[C@@]5(C)CC[C@@H]43)C2)cc1 1857769124 ZJGRZZAHEVMSRF-ADQWDUKTSA-N 534.700 7.553 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(=O)c3cccc(C(=O)C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911573526 KQNORDDAQRCBRY-HPWHWVSTSA-N 694.862 7.333 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@H](CC(C)C)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356356177 KDXSXOLKKDFRIF-OUDFXPNXSA-N 818.108 5.995 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@H](O)CSS2)c1ccc(NC[C@H](C)O)c(CO)c1 2356365564 OBZIPZOCXGFAGG-DEQLKNQASA-N 762.991 7.004 50 1 KKGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@@H](NC(=N)N)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356371384 YQLXRZZYHNALCQ-QENSUYNWSA-N 505.794 5.427 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356388736 PLDRVZNFEHVQMM-NNPJMHJLSA-N 906.180 7.290 50 1 KKGF CCCCCC=CCCCCCCCCCCCCC(=O)OCC(=CC#N)COC(=O)CCCCCCCCCCCCCCCCC 2356469531 QYWYFOXGSYMIMO-UHFFFAOYSA-N 672.092 13.602 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@H](C)C3)C2)C[C@@]12CCC1(CCCC1)C2 2356601091 JAQAIDACYUMOBX-GISUIOKYSA-N 767.246 11.770 50 1 KKGF C[C@@H]1CC[C@H](O)[C@]23[C@H]4[C@]5(C[C@@](C)(C#CC[C@@]6(CCCC[C@@H]6CSSC[C@H](Cc6ccccc6)C1)C(=O)O5)[C@@]2(O)CCC1=CC(=O)OC1)NN[C@H]1CCC[C@H]1[C@@]4(C)CC[C@H]3O 2356659788 SCKUCGAPUDDBOI-QNIGVBJCSA-N 861.224 7.675 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O 2356721694 MDJUKVWHUGUICN-YTEKGKRCSA-N 712.883 6.200 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 2356778350 SLNGACCBOMIVGF-ILNWVHSXSA-N 514.747 6.014 50 1 KKGF N[C@@H]1NC[C@@]23CC[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@@H](O)c2ccc1c3c24 2356830269 JGCXIZLWUGBDFE-NWZUCHOGSA-N 955.256 7.873 50 1 KKGF C=C[C@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@H]1C(=C)C=O 14856101 IIBMSRRBRIHDMP-TWXDAEAZSA-N 527.573 6.849 50 1 KKGF biogenic COc1ccccc1CNCCCCCCCNCCSSCCNCCCCCCCNCc1ccccc1OC 29550500 DBNHOPBUNDBOKF-UHFFFAOYSA-N 618.998 7.045 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCCC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145569 QFLOHTHTYXENFN-HLUURGJWSA-N 544.780 6.828 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 85549479 GTBOFIDDSYJTQI-OBMHFEBNSA-N 559.886 6.546 50 1 KKGF biogenic,in-vitro COc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 98082875 SJXCQVXZMWPZOE-JLEOYGQPSA-N 533.604 5.136 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCCCCCCCC/N=c1/c2ccccc2nc2n1CCCCCC2 101199562 IJVNXTLLQREAOE-HAIIOQGTSA-N 542.859 7.224 50 1 KKGF CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2ccc(C(F)(F)F)cc2)=C1C#N 103950774 FFDLLISFIZSFEO-FQEVSTJZSA-N 537.422 5.768 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C(=O)O[C@@H]1[C@H]3C1CCC4CC1 150345640 RPUSCRVBOZWBMN-DRPNUMCASA-O 846.024 6.900 50 1 KKGF biogenic,in-vitro C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5C=[N+](C=C25)[C@@H](O4)[C@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 150348942 UDFAUSYNJQLBOT-XRXNAVGWSA-O 860.091 5.604 50 1 KKGF biogenic,in-vitro COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299810484 ZZMUBGNZEPPZHL-ZCUKPDOOSA-N 897.148 7.237 50 1 KKGF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)n2n1 587119865 JQOAWQZYMRTDRO-UHFFFAOYSA-N 505.394 7.616 50 1 KKGF O=C(N[C@@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 587237382 VFUWIWRPXPUOFG-YTTGMZPUSA-N 611.636 9.339 50 1 KKGF COc1cc(Cl)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587319569 CDGOVOZZNKLYPT-UPVQGACJSA-N 521.766 5.851 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1Br 587571178 ZKVUKVVGHOENHO-GHTZIAJQSA-N 508.137 5.546 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 587674089 SREGIMYNPPRZRR-RKNYENMMSA-N 515.220 5.854 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587709898 CWYBTHFBFHUDNN-SPSFWMDKSA-N 564.248 7.685 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(Br)c2Cl)N1 587721687 QDGVWQDXMUWDCH-WNWIJWBNSA-N 544.459 6.316 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@@H](Cl)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 587895775 VTRGEFMWUDQGHL-PMERELPUSA-N 598.850 8.292 50 1 KKGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)CCc1ccccc1)[C@@H](C)[C@H](OC(=O)CCc1ccccc1)O[C@@H]4O3 653764383 VMHDJPZXWVJLOD-VQLALOACSA-N 564.675 5.525 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc([C@@]2(C)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 962400709 GRYLWHNUDYFMOT-UGDKZIPHSA-N 596.083 6.171 50 1 KKGF Cc1cc([C@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1CCc1cccs1 962578109 XCNUUWRNFJXELD-PZSMLTKBSA-N 652.216 7.547 50 1 KKGF NC(=O)c1coc([C@@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963066329 DHKYGXJYIRGCEO-VRLMBGIESA-N 743.105 6.817 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cccc(OCC(F)(F)F)c1 963194690 OBBSOXZPKBAMDC-DQEYMECFSA-N 515.373 6.389 50 1 KKGF C[C@H]1C(C=O)=CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963449054 PFXWATZTEDUKHX-KVQZZJAYSA-N 726.871 6.684 50 1 KKGF Cc1cc([C@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(C)n1-c1ccc2c(c1)OCO2 963817442 MTNOCSWAUKXRPU-YTTGMZPUSA-N 540.063 6.511 50 1 KKGF CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CO1 1857587362 HOSSAEKKJNDWLK-LKPKVSIJSA-N 974.329 5.140 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356292327 OPAOLUXJRSYOEO-CBVYBWMPSA-N 875.215 7.871 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NC1CCCCC1)c1cccc(O)c1)CC(=O)CC2 2356472411 WKTMOPONNARMHW-FRQQJOPASA-N 701.951 9.596 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356732975 MKOPDDSKRCCERF-ZCYTXFRVSA-N 633.914 6.561 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOCCCO)C3)c2)N1 2356742033 MKULTUILHHYMCV-VZBQMTGKSA-N 771.059 6.460 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)cc(OC)c1O 2356766578 PIUVILCNMLVVPT-TYWKCIKUSA-N 664.842 6.881 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)CN[C@H](C)CCOC 2356775284 KMSAOIKHLIDXRK-MBSYWPFISA-N 658.965 5.599 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356775500 NQDXHZIPWLTPDF-FSYICNPOSA-N 855.214 7.506 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC[C@]5(CCC6(CCCC6)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356776336 FJNUYMDORMOUSP-MMPOAUAESA-N 970.301 7.137 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@@H](O)CCCC1 2356815181 CPKCTBXOLUCSLM-FWQFJMNGSA-N 776.078 5.699 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](C1(N3C=CNC3)CCCC1)c1cc2cnc1N 2356850451 PQCUHHVZRDJCGI-SRLATNSPSA-N 646.879 6.879 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356854576 RQGPUGCGQBAXPP-WJAKBHEBSA-N 873.151 6.187 50 1 KKGF COc1ccc(/N=C(/SS/C(=N/c2ccc(OC)cc2)c2ccc([N+](=O)[O-])o2)c2ccc([N+](=O)[O-])o2)cc1 6005252 VBYTTYBVVZAKLZ-OGGGYYITSA-N 554.562 6.944 50 1 KKGF CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCCI)[C@@H]1CC[C@@H](CO)C[C@@H]21 27106791 FGPMIFWWXRALGV-UOTIDGTBSA-N 542.542 7.499 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCCC2)c1O 85567816 BKKSWFKHTZCPGF-BPNXIIETSA-N 678.913 8.913 50 1 KKGF biogenic,in-vitro N#C/C(=C/c1cc(Cl)c(Cl)cn1)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C\c2cc(Cl)c(Cl)cn2)c1 103265824 KRMXTSCUCBLITK-OYUQAUEZSA-N 586.266 5.537 50 1 KKGF CCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCl)c(OCC)c2)ccc1OC(=O)CCl 103279016 CAJJDBFUDHWMOK-NXZHAISVSA-N 549.403 5.027 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cnc3ccccc3n2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118933955 CKPJCFKFLBFNMI-ICCZICOZSA-N 625.549 5.790 50 1 KKGF C[n+]1ccc(-c2c3nc(c(-c4ccc(C(=O)NCCBr)cc4)c4ccc([nH]4)c(-c4cc[n+](C)cc4)c4ccc([nH]4)c(-c4cccc(C(=O)NCCBr)c4)c4nc2C=C4)C=C3)cc1 150520742 ILRKLXVQRXQFRJ-UHFFFAOYSA-P 946.748 9.222 50 1 KKGF COc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(OC)c(OC)c2)cc1OC 169330759 RRVWWANIHWMFHL-UHFFFAOYSA-N 650.996 6.282 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]43C)[C@H]1CCC(=O)N2 254076643 JMZJBCNHUJOLER-KKUUWHPGSA-N 563.610 6.336 50 1 KKGF CC1(C)C(=O)[C@H](Br)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@](C)(Br)CBr)CC[C@]3(C(=O)O)CC[C@]21C 299805956 IPLNOHYKFZGNFG-CMCZIYRXSA-N 693.399 8.644 50 1 KKGF CC[C@@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 299838675 QTQLGNQQJRBIBI-CRYYWNKWSA-N 524.617 6.433 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299843844 ORSKCTIDJPPMJJ-YQQZXCLQSA-N 898.538 6.320 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4cccc(Cl)c4)c4ccccc34)sc2c1 299867170 XOOUVAZESJGERT-WCMJOSRZSA-N 545.112 6.950 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587327869 HZKAPIPDZXFCAH-RBBKRZOGSA-N 511.265 6.079 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)[C@H]1c1ccc(F)cc1 587329127 KOEGWALVBBRTJS-LADGPHEKSA-N 517.866 5.624 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc2c(c1)OCO2 587542767 ILIOOVDUXUCDIQ-LITSAYRRSA-N 517.965 5.683 50 1 KKGF COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686717 DLWNGOPWQYZNSQ-CZCIIYHRSA-N 504.827 6.363 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)ccc(Br)c2F)N1 587722677 ZOVQYMAUPMNXIJ-QPFGOUBPSA-N 544.459 6.316 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](NNC(=O)c2ccccc2)c2ccccc2)N1 587744929 DJQJFAXKUYHMHG-MATHUIJASA-N 544.468 6.042 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C/C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 587794878 VOBRJVBIRXBPRE-YUPCXEGUSA-N 617.566 7.735 50 1 KKGF CC[C@@H](C)[C@]1(CCl)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962579048 ZRLANNAZMVSVKW-DSTVDIHJSA-N 505.014 5.822 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962722179 XYJIJOYIDJRFGZ-MLZZNZMKSA-N 796.496 8.404 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@@]2(CCC3)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962924890 IEEONPUHWKHYQV-DCDLDEACSA-N 601.659 6.433 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CBr)c1ccc(F)c(OC(F)(F)F)c1 962991943 VYFSJZACYUAHIJ-HHHXNRCGSA-N 644.843 6.691 50 1 KKGF C[C@@]1(c2cccc(NC(=O)CBr)c2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963077709 PFVIOSSATUZNCS-GXJHCLHJSA-N 811.622 8.240 50 1 KKGF O=C(CCl)NCc1cc([C@@]2(c3ccccc3)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O 963097905 NXQFMPLSZQXMCN-LWOWNENESA-N 693.243 7.843 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(Cl)nc21 963928825 OYCXTIXTVHXQHN-VKGTZQKMSA-N 619.992 6.066 50 1 KKGF COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3ccc(-c4cc(C(=O)NCC(C)(C)SSC)n(C)c4)cc3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O 1857539837 KQOIYPPUWXSJHH-YTTGMZPUSA-N 834.037 7.896 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](/C=C/C3=CCOC3=O)[C@@]3(CC[C@@H]2[C@]1(C)CO[Si](C(C)C)(C(C)C)C(C)C)CO3 1857755141 LULZVNONVSCSKZ-KCESMJAKSA-N 546.821 6.751 50 1 KKGF CCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1 2356326510 XYNWKOXRMZVNTQ-HVGBKFCZSA-N 661.792 8.962 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356358482 PTFORQWEKBBGTN-XFLOXFPRSA-N 929.211 7.983 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356360628 KGQWOUFHXGIFHH-BRYFLGBQSA-N 887.174 9.058 50 1 KKGF CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H]3C(C(C)C)=C(C=O)C[C@@]31C)C2=O 2356390593 AEVDRGYEHJFKLT-UZHKUDBNSA-N 508.699 6.673 50 1 KKGF C=C(OO[C@H]1[C@H]2[C@H](OOCC)C(=C)CC[C@H]3[C@@H](C=C(C)C(=O)[C@@]2(C(=O)OC)C[C@H]1C)C3(C)C)c1ccccc1 2356743439 CKNMYOIOGOCGJM-SYJSPGGWSA-N 538.681 6.264 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNC1=CC2=C(CC[C@@H]4CC5(CCCC5)C[C@]24C[C@]2(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]2O)CN1 2356808743 AJNJFOFVUXULRU-BIMNSVCISA-N 929.167 5.299 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@@H](C2(n3ccnc3)CCCCC2)SSC1 2356847034 OSYAIWFMEAOHLJ-HLQMCAGBSA-N 662.922 7.014 50 1 KKGF O=C(N/N=C/c1ccc(CC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 27653151 ZASDJLSCTCHCRI-ALQBTCKLSA-N 575.496 5.503 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H]5CNCCC#C[C@H](CC(C)C)[C@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 85595574 KDXSXOLKKDFRIF-BMMPWICJSA-N 818.108 5.995 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1SSC[C@@]3(NC(=N)NCCCO)CCC[C@H](C3)Oc3cc(ccc3O)C[C@H]12 85597159 SRNRVCAGKPCSRQ-KHYJIDLKSA-N 823.047 6.171 50 1 KKGF biogenic,in-vitro COc1cc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc(OC)c1OC 98082866 OXLDFCGTWJAVBF-DMUPTLRFSA-N 593.656 5.154 50 1 KKGF O=C(N/N=C\c1ccccc1/C=N\NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)Nc1ccc(/N=N/c2ccccc2)cc1 137425526 WZTHYOWDYYHKEV-DGYTUYQQSA-N 608.666 8.829 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](CI)C4=C(CC[C@@H](O)C4)[C@H]3CC[C@@]21C 169299882 QJHZPCLORSPENH-GXMDFJRNSA-N 512.560 7.804 50 1 KKGF C/C(=C\C[C@@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 169313335 IQZRDEYKPNMTKJ-DBHPHSBKSA-N 501.151 8.588 50 1 KKGF CCCCCCCC[C@@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O 169621835 FPZCWGAMOFPTED-XGXCAQCJSA-N 620.935 8.589 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1 194885410 QMMNPJKVOZYGDW-WVKQWSHJSA-N 634.777 6.162 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)c2nccs2)C1 195160222 HHTOKAJJJBLIGU-YJGGZKQHSA-N 517.896 8.400 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccc(C)s2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253633817 NSWSWPQSYVIFLJ-GJOHQYQLSA-N 593.569 6.217 50 1 KKGF COC(=O)COC(=O)[C@]12CC[C@@H]([C@](C)(Br)CBr)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299810464 YMRHYZZIAWGDEK-IZHYFJBWSA-N 765.462 8.275 50 1 KKGF O=C1N(Cc2cccc3ccccc23)[C@H](Cc2ccccc2)[C@H](O)[C@H]([C@@H](Br)Cc2ccccc2)N1Cc1cccc2ccccc12 299848178 ULCDVWDXJDWVKK-BMIMKLFRSA-N 669.663 8.778 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058407 YSUHYTAAAVGHOW-VGOFMYFVSA-N 530.209 6.802 50 1 KKGF C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128606 CHWWZWFMYXOIOU-BYPYZUCNSA-N 551.660 8.317 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(F)F)cc2)([C@@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 587717252 KXUYBLRVAXSISS-GXEJCNNVSA-N 604.797 7.059 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(F)cc1 587735459 PXZHRHANUGDGGE-ODCWNRFASA-N 507.850 6.405 50 1 KKGF Cc1cc([C@@]2(CCCCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 962474334 JVFFBOCOSAKYNJ-HKFHRXRESA-N 585.075 7.052 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CCl)(c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962579044 ZOZWWPIAOJGKSB-GRKNLSHJSA-N 525.004 5.824 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc(CBr)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670754 GLENSIRXXQOPMM-AREMUKBSSA-N 627.295 6.955 50 1 KKGF CCOc1ccc([C@H]2c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1B(O)O 963068807 GGVYKRCNUXTMBT-ZUBDYPCQSA-N 749.518 5.811 50 1 KKGF C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(S(F)(F)(F)(F)F)cc1)Cc1ccc(Cl)c(Cl)c1 1857551467 WNWHYRKSDJAVPC-UHFFFAOYSA-N 573.454 9.612 50 1 KKGF COc1cccc(/C(=N/NC(=O)[C@H](NC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ccc(Cl)cc2)c2ccccc2)c1 1857636156 XUDGJDSUXFXYSD-YQNOMJOASA-N 679.221 7.095 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccc(F)cc2)nn1 1857750121 PBSROSKGEUDSEH-XQOQDJPVSA-N 535.660 6.048 50 1 KKGF C[C@H]1C(=O)C(C#N)=C[C@@]2(c3ccccc3)c3nc(-c4ccnc(C5CC5)c4)nc(-c4ccccc4F)c3CC[C@H]12 1911575567 HFMPPZFFHRGCAS-RLABKUHLSA-N 526.615 6.739 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@@H]2C=CC[C@@H]3O 2356361140 VKZYXCBSUSQSSJ-BINWMDOPSA-N 920.296 6.371 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1C[C@H]4CC[C@@H]6CCC[C@@]6(C4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356365709 QOJRDOLSEZLRIJ-RDSFTLIGSA-N 940.374 8.386 50 1 KKGF COc1cc2cc(c1O)CN1C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C[C@@H](OC(C)=O)CC2)[C@H]1CCC(C)C 2356373214 URYWOUVWSYLOCO-HPWVJBTOSA-N 680.978 5.976 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@@]78CCC[C@@H]7C=C[C@@H](C8)C67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356448523 GDFJTQKFFFLGFW-UUUXBOJGSA-N 988.371 6.524 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@]21O 2356452873 GQUKCFKFISLYBC-IORFDEHLSA-N 911.372 10.991 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]67C[C@H](C)CC[C@@H]6[C@H](CCO)CC[C@]57C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356510346 WCEFQFNUYJDVIT-MCDURQNISA-N 928.264 6.918 50 1 KKGF CC(C=O)=CCCC(C)=CCCC(C)=C[C@H](O)CC=C(C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)CC[C@@]1(C)O 2356521422 XGRHDCURGCZZNS-IATJHJMNSA-N 606.841 5.074 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCN[C]7C=C(C=CN7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356580112 LHLPHYDSHHILHG-YOALKBIPSA-N 759.071 8.226 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356585759 BAFWHSPNZQRTJO-UDZLJPAESA-N 771.143 7.455 50 1 KKGF CC[C@@H]1CC[C@]2(c3cc[nH]c3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@H]2C1 2356614283 OOBVZQOHZBMRFU-NWRHNEBHSA-N 531.740 6.253 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356737327 JZFDJBWAQDPEDG-FKISOYDWSA-N 701.005 6.077 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC5(CCCC5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O 2356770583 CAJMJCFFFCRUFB-YWYMAMJYSA-N 902.182 5.577 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356775162 IQHCIWLSMGZPFG-CPFSGSAXSA-N 597.887 6.605 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@H](O)C[C@@](CCO)(CC4(c5ccccc5)CCCC4)C#C[C@@H]3C=C12 2356846900 ORRZMJKAQFCAPS-LZCLYWDYSA-N 994.374 7.550 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@]3(C)C/C(=N/Nc4nc5nc6ccccc6nc5s4)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C 28644080 DZYSKVJFKUTEIY-DKQQSRSHSA-N 634.378 10.736 50 1 KKGF CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873623 WXVOOACDWVNOJY-CLJLJLNGSA-N 670.420 6.187 50 1 KKGF O=C(CCCC[C@H]1CCSS1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 40576162 VSIAAVPIPYALAJ-SFHVURJKSA-N 503.491 6.789 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CCCCCC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 95607533 WGVWKOGGAZAROY-CNMJKPANSA-N 618.764 6.104 50 1 KKGF CCc1c(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c1CC 150580850 IQWQUEXPMHREOH-MYOPHAJQSA-N 935.702 9.561 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](CSCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169325457 PAJLLRUDJBTVAE-HBLGPLNYSA-N 654.844 5.230 50 1 KKGF C[C@]12CC[C@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)C[C@H]1CC[C@H]1[C@@H]3CCC(=O)N[C@]3(C)CC[C@H]12 195515795 JMZJBCNHUJOLER-MDAYUOMOSA-N 563.610 6.336 50 1 KKGF C=C(C)C(=O)CC[C@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@]2(C)CC[C@H]1Br 205749008 AANFJCZWGKSABQ-BAHAWPTLSA-N 519.476 5.715 50 1 KKGF O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCSSCCCCC[C@H](NC(=O)[C@@H]2CCCC(=O)N2)C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)N1 299838864 RIARYRWSAZZAID-YDPTYEFTSA-N 753.004 5.073 50 1 KKGF Fc1ccc(O[C@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587151154 QJUHMWQYYBLFCX-LJQANCHMSA-N 541.286 8.429 50 1 KKGF COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335215 OAZHGAAAHMKRFZ-OFNKIYASSA-N 520.282 5.237 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587373325 IKHCHNDBLPHXGT-GCJKJVERSA-N 570.230 5.750 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 587538895 HBZYQFAVCNFJOA-SHQCIBLASA-N 538.825 6.658 50 1 KKGF COc1cc(Cl)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587673097 KGURGXNFDYQHBC-GIGQVBGESA-N 507.625 5.432 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 587674141 TXFSEYXFGKQHAF-LFPIHBKWSA-N 501.237 6.332 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](Cc2ccc(F)cc2)NC(=O)OCc2ccccc2)N1 587731508 GXKNPLDEVSBOKY-LMXXEPQWSA-N 563.870 6.233 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](NNC(=O)c2ccccc2)c2ccccc2)N1 587744928 DJQJFAXKUYHMHG-CQXWEXEVSA-N 544.468 6.042 50 1 KKGF COc1cc(CBr)c(OCC[C@@H](C)CCCC(C)C)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874892 JJYUJQVPOWJTJZ-QFIPXVFZSA-N 611.448 8.033 50 1 KKGF CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961618172 XSCDBTLGAGQEQD-JWQCQUIFSA-N 522.314 6.143 50 1 KKGF COc1cc2c(cc1OC)[C@@H](c1ccc(OCCCBr)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962699412 HRJJHXXRLQMFKY-AREMUKBSSA-N 578.425 6.674 50 1 KKGF O=C(Nc1ccc2[nH]ccc(=Nc3cccc(Cl)c3)c2c1)C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3 1772636898 JDUVITZLJUDMKX-UHFFFAOYSA-N 574.121 7.052 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@@H](O)c2nc(C(C)=O)cs2)[C@@H]1C 2356325969 RYSXYKPCSNNWNU-SVYDWOGESA-N 660.315 6.508 50 1 KKGF C[C@H](O)CCC[C@@H]1[C@H]2C=C[C@@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356358120 XCWPIXUKSOQAFN-WORXOIBCSA-N 914.203 8.484 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@H](O)CSS2)c1ccc(NC[C@@H](C)O)c(CO)c1 2356365566 OBZIPZOCXGFAGG-WFXRFSCKSA-N 762.991 7.004 50 1 KKGF CNCO[C@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356437328 OMMGDWIQASHXHV-PKTZIBPZSA-N 557.734 5.417 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O)COCC#CCC(C)=CCC1 2356450575 APOAALRBVVAWAJ-AUURQCAXSA-N 522.726 5.382 50 1 KKGF COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@@H]6C[C@@H]7OC[C@]8(C[C@H](OC)[C@@H](O[C@@H]9C[C@H](OC)[C@@H](O)[C@H](C)O9)[C@H](C)O8)OO[C@H]7[C@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O 2356509421 OKQKFNTWEWCEEK-KBHFHOAFSA-N 921.131 5.581 50 1 KKGF C=C(C=CC=C(CCC=C(C)C)COC(C)=O)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O 2356517450 KPFIRSWIEJGVNZ-VYDZHMBASA-N 528.730 5.541 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[Si](C)(C)C)[C@@H]5CC[C@]43C)[C@@H]2C1 2356686488 HUKXXXJMJPMTML-YJVDTSGNSA-N 689.259 11.218 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356778026 KKFCKVHXFPWSKN-FLLVWLMVSA-N 803.138 6.438 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNC1=CC2=C(CC[C@@H]4CC5(CCCC5)C[C@]24C[C@]2(O)[C@H](O)[C@H](O3)O[C@H](CO)[C@H]2O)CN1 2356808744 AJNJFOFVUXULRU-DMFAXPCASA-N 929.167 5.299 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356828595 IIMNPDLDBDWFDJ-HOPWENSVSA-N 765.998 7.057 50 1 KKGF NC1=C2CSSC[C@H](CO)[C@H](O)[C@H](Oc3cc4c(cc3O)CCC3=C[C@@H]5C#C[C@@]6(CCO)CCC[C@@H](CC6)[C@H](O)[C@@H]5[C@H](O)C[C@@H]34)C[C@H](Cc3ccc[nH]3)C2=CCN1 2356866897 VOZOYDGJSXFISY-BCGWHLEXSA-N 818.115 5.061 50 1 KKGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4cc(Cl)ccc4Cl)cccc2-3)cc1 14945672 AJIAGOODOUPWJG-UHFFFAOYSA-N 522.348 5.070 50 1 KKGF CC1(C)Oc2ccc3cc(CBr)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 26389473 OSKOMDXPCLXILM-LJOHMEHOSA-N 715.590 5.599 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ccn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC 27643018 HYTLQAMHTKPEQE-NRFANRHFSA-N 648.072 6.325 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873530 UUKNORQZGYMTDU-RPWUZVMVSA-N 661.796 6.774 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)OCC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49823282 HTYCFUDSNBYCJN-SBUWDEJESA-N 650.806 6.421 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4c(C)cc(C)cc4C)cc3F)ccnc2cc1OCCCN1CCCCC1 96283536 WIEGFSJVRIOSCB-NNLKUIAGSA-N 613.734 7.510 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 169361722 SBWFAIGFKMBQFX-BQCIPEPRSA-N 798.421 5.306 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@@H](C)CC[C@H]([C@@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169615399 CRSJHIRCVZDTHB-CHVAIZKISA-N 832.066 7.556 50 1 KKGF CN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 473126706 ULYZQJMFNJZGDD-MVNVTDFTSA-N 502.699 5.801 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(-c4ccc5c(c4)C(=O)OC5=O)[nH]c3cc21 586907297 VQHVHDZZWAMATL-UHFFFAOYSA-N 628.685 6.801 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C/c3ccccc3)[nH]c21 587188001 NJHYMERFGQJTFW-LKUDQCMESA-N 609.730 7.887 50 1 KKGF Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl 587323776 MQMZPBCNDZCNTI-DENIHFKCSA-N 531.194 5.916 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 587328863 WEUIOPYAMDRYPD-BVRKHOPBSA-N 534.027 6.694 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 587843045 YAWMMDANBNBKEI-YJYMSZOUSA-N 593.371 5.647 50 1 KKGF CCCCCCCCCCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772643288 LZMVCENJBDTSPS-WCIMHCDGSA-N 627.347 8.744 50 1 KKGF COC(=O)c1ccc2[nH]c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)[nH]c2c1 1857568838 PVYREMIIKUFRNY-UHFFFAOYSA-N 622.510 9.062 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCOC(=O)/C(C#N)=C/c5ccc(F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857597930 WOFKOODUHMATDE-JKUDIZFBSA-N 667.818 8.446 50 1 KKGF C[C@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857615117 YTCMHJHJKLUVTD-INIZCTEOSA-N 523.414 7.770 50 1 KKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(C(=O)OC)cc2)C1=O 1857767683 QMECLLVZFGXLEW-QFIPXVFZSA-N 506.599 5.420 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1OC(=N)O 2356322893 CXYLXULFSYHSRC-IGKTYTQLSA-N 907.576 11.735 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356351902 HQGVPHMVZWUMPX-UBWRQMNDSA-N 871.307 10.486 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356360630 KGQWOUFHXGIFHH-OVJDOVTKSA-N 887.174 9.058 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356362795 HOBVUZFRWOWIKQ-ZYJGEOGJSA-N 873.185 5.058 50 1 KKGF CN[C@@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(CO)c1 2356370383 PKHCRXHBYNOQAD-ZADIWHOSSA-N 647.859 7.679 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCCC[C@@H]2CNC)Cc2cccc(c2)C1 2356517622 PCGULFQBINMLEC-GSQCSODHSA-N 968.374 6.889 50 1 KKGF C[C@@]1(C2CCCC2)CC[C@H](O)[C@]23[C@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CCCC[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@]3(O)CCC1=CC(=O)OC1 2356532568 PFQMFAVWFGNZIH-SYZKBTFJSA-N 859.248 9.794 50 1 KKGF CNCc1ccc(CO)c([C@@]23C=C[C@@H]4CCC5=C6C[C@H]7C[C@H](CO)[C@H](CCCO)[C@@]6(CC5=O)[C@@]7(C)CCSS[C@H](CC2)[C@]42NC(=N)NC[C@H]23)c1 2356774351 VXUJVTATKSQBGU-RRHYFTNASA-N 721.046 5.215 50 1 KKGF C=C1[C@H](OO)CCC(=O)O[C@H](C(C)=CC=CC[C@]2(O)CC(=O)O[C@H](CC)[C@@H]2C)[C@H](C)C=CC=C[C@H](OC(=N)O)[C@H](C)[C@H](O)[C@@H]1C 2356798271 PBFFCVHRTZVSSP-KMUGRVSQSA-N 633.779 5.351 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](OCCO)CC[C@@H](NC[C@@H](C)O)C1 2356819568 FCZKGQDGEVIGJR-VLZQZDKTSA-N 921.280 5.300 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(C[C@H](CO)CCCO)CC3)[C@H](O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356850214 QAMXPYXJLLRDQE-TYEOEMNHSA-N 942.254 7.624 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356870764 XUOFESWFNVWVMM-JTDWLIEBSA-N 824.206 11.106 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCO)c3ccccc43)[nH]c2c(OC)c1OC 26489014 AJULSBXDRCPFNF-NRFANRHFSA-N 705.120 6.358 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 150348711 GWJBEOPSMZHVMQ-WDXLINMQSA-N 779.082 7.141 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc(OC)c1OC 150589858 QCGPPOVPSUTVKQ-PUDHBBIYSA-N 820.955 9.511 50 1 KKGF Cc1cccc(C)c1OP(=O)(OCC(C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)Oc1c(C)cccc1C 169299776 HCULGNNEFYJJEY-GPGDLEKCSA-N 895.080 11.400 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 195769823 QSVJJFGGTNOGQD-BXTSTYNKSA-N 618.920 5.762 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299811872 BVRIJFRDMCDGFG-XWWZZPNRSA-N 937.049 5.464 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 299815423 JJQGOUALJFARBW-ZPZHTWQZSA-N 539.883 6.116 50 1 KKGF O=C(N[C@H](CO[P@](=O)(O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 586923625 WAOXYBCTKFRCCO-GDLZYMKVSA-N 695.603 9.134 50 1 KKGF CCOc1ccccc1[C@@](N)(c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(F)(F)F 587092972 PQXQZPQKFOKQDG-MRXNPFEDSA-N 540.274 7.146 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Br)ccc(Cl)c2F)[C@H]1c1ccc(F)cc1 587336016 SDOPHNJHRFVMQU-PGRDOPGGSA-N 558.600 6.736 50 1 KKGF COc1cc2c3c(c1)O[C@@]1(CC[C@H]4[C@@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(CI)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587429332 UHYYMMCKLQKODX-BSQCKIERSA-N 616.536 6.491 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Br)ccc(Cl)c1F 587559326 WFBYBJKRONSXMR-UWJYYQICSA-N 542.582 6.199 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 587812066 PEDYNUJIHLGHLP-AKEBORJUSA-N 716.685 5.601 50 1 KKGF O=C1C(=Cc2cc([C@]3(CCl)NC4(CC4)Cc4ccc(Br)cc43)c[nH]2)C(=O)c2ccccc21 961617842 XBAMRXAAMWLSFO-SANMLTNESA-N 507.815 5.401 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCCCCl)(c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1N)CC2 963142401 PMTBVDPHMUALJH-PMERELPUSA-N 552.071 6.326 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc2ccccc12)c1cn(CC[C@@H](Cl)CC)c2ccccc12 963237724 ZFCQQHYSMULKRK-JSVXVSTQSA-N 535.175 9.151 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCCCCl)(c1cccc(Br)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963729928 KVISUVXVMKSKAY-YTTGMZPUSA-N 623.975 7.258 50 1 KKGF CC(/C=C/C(=O)NO)=C\[C@H](C)C(=O)c1ccc(C2([C@H]3CC(=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)SCCCS2)cc1 1857641616 OZQXCGAIIGNFTB-XWZFYNAKSA-N 605.895 6.490 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356292449 HFARLHLTUHQNDS-PWTVDBLPSA-N 713.922 6.898 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C[C@@]2(O)[C@H](O)[C@H](CO)O[C@@H](Oc3cccc4c3C(=O)[C@@]3(CSSCNc5cc1ccn5)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]3C4=O)[C@@H]2O 2356306490 NUEAQUXIUHVQIT-ZDQQDSGSSA-N 925.135 6.161 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)C7)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356350972 NMCPBFKPOSLMST-SSJPGKFYSA-N 934.318 7.376 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)C1CCCCC1)C3 2356351607 BAMXPVSHVPQRTI-MVRQNJMJSA-N 713.824 5.755 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)[C@@H]2CCC[C@@H]3[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC[C@H]4C[C@H]3[C@]2(C)[C@]14O 2356357313 RQNSDUUAMGJWLJ-XCMKCGOHSA-N 951.398 6.998 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3[C@H]3CC[C@H]2C[C@@H](O)CSS3)c1 2356359580 NYJOMJSKGRIZEN-YFHMWHCWSA-N 718.938 7.144 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@@H](C)[C@H](O)c2cc(O)c1c(O)c2 2356378876 XZVMPRPAUUDNLD-HLKSFTNFSA-N 619.283 9.449 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@@H](C)CSSCNc7cc(ccn7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356448491 FLURTCNJMRRJII-SHDKWPIJSA-N 656.914 8.686 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3CC[C@@H]4[C@H]([C@](C)(O)CC=CC(C)(C)OO)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C 2356599157 PNIOLRUIMUJAKL-FOZMYXGISA-N 759.210 12.781 50 1 KKGF CC(C=O)=C[C@H](C)CC=C[C@@H]1[C@@H]2O[C@]2(C)[C@H](C)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]12c1ccc[nH]1 2356718392 UXYUXCFJWUXAND-IKSNMLKZSA-N 511.666 5.242 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356745140 GWZSXWABUWZXBB-MJWKCQQQSA-N 703.021 6.587 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CC=C[C@H]2CN(CCCOC)CC[C@H]21)C3 2356754209 NTYUIIQKNXCLAY-MBWMRYQDSA-N 766.888 5.337 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356844292 NTGMHTYJQPKJDU-SMSRQRKQSA-N 877.231 7.433 50 1 KKGF CNCc1c(O)c2c(c3c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 2356871084 XXBKEGWPQHCRAB-VGCPLQTPSA-N 929.218 8.201 50 1 KKGF C[C@@H](C(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8019283 VZCGLIQLXYEITP-AWRMSFPSSA-N 557.674 7.874 50 1 KKGF aggregator O=C(NC[C@H](O)c1ccccc1)c1ccccc1SSc1ccccc1C(=O)NC[C@H](O)c1ccccc1 29465783 NMJSTFDGPVQYID-UIOOFZCWSA-N 544.698 5.413 50 1 KKGF CCC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@H](CCC)NC(=O)c1ccccc1 36176430 HPGZOBMWVCIJEN-ZEQRLZLVSA-N 508.659 5.306 50 1 KKGF N#C[C@H](C/C=C/c1ccccc1)NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 82185599 PWLUUNVMLOMYJW-CLNPQZTCSA-N 649.365 8.305 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)CCCOC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 95549022 OLBRUINDIWQMQU-XSCKYDQKSA-N 793.058 13.847 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@@H]5[C@H](C3)[C@H](O)O4)C[C@@H](Cc3cccc(O)c3)CC3(CCCC3)C1)CC[C@@H](O)CC(=O)CC2 150348333 WBLWOSLSSMWSRB-CGPMLHRFSA-N 991.330 7.753 50 1 KKGF biogenic,in-vitro CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@@H](C)CCC(=O)NC)[C@@H]4CC[C@@H]3C1)OO2 206667955 GJRXTRLGYYPAIW-MUBMFJMESA-N 603.841 7.252 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](C[C@]3(CCCCc4ccccc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253646626 PQWICQFZDCPUIL-OVHQDHAYSA-N 680.835 6.937 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 254088388 LKHIBBPOJARUFY-ZIXNQLATSA-N 968.182 6.765 50 1 KKGF COc1ccc(OC(=O)[C@H](CCCCN2C[C@@H](Cl)CC(C)(C)C2)N2C[C@H](Cl)CC(C)(C)C2)c2ccccc12 299861019 HLJCZINRAJJEGO-ZEVJAHDQSA-N 563.610 6.971 50 1 KKGF CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(C(=O)NN)cc2[nH]1 586999801 CZPIWNKSKHAKCA-LYJCITBUSA-N 732.680 6.741 50 1 KKGF Cc1cn(-c2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cn1 587324114 WCIYHBPMCJPGEH-AOYPEHQESA-N 507.359 5.675 50 1 KKGF C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328749 CFURLJNQYAUHKT-YOSAUDMPSA-N 509.293 6.072 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 587328868 WEUIOPYAMDRYPD-VEEOACQBSA-N 534.027 6.694 50 1 KKGF COc1cccc(-c2cc([C@@H](Br)Cc3ccc(F)c(F)c3F)nc3c2oc2ccccc23)c1 587359964 JJSTVPFHCFUVOE-IBGZPJMESA-N 512.325 7.753 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)CC(=O)c2cc(C)cc(N)c2O1 587386595 KIVAQHNSRNPFNY-AOXHUSPRSA-N 672.190 5.372 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587737976 IVGLFAFYPXHVMT-HHDXWIENSA-N 739.094 6.409 50 1 KKGF Cc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2[C@@]2(CCC3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962472280 FCFXAJILSPZGCJ-ABNRCAFNSA-N 700.795 8.292 50 1 KKGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 962634129 JTXAKVWHWYOIHJ-WBVHZDCISA-N 566.214 5.860 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cnn(-c3ccccc3)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672219 BCCCUNQNXRQTFK-NDEPHWFRSA-N 600.435 6.245 50 1 KKGF O=C1CCc2cc([C@]3(CBr)c4ccccc4C[C@@H](C(=O)O)N3C(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)ccc2N1 962720823 VLQXGJDWURHFOM-MLZZNZMKSA-N 729.622 6.327 50 1 KKGF Cc1cc(C)c2cc(/C=C(/C#N)[C@]3(C(C)(C)C)N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c(=O)oc2c1 962729849 KAMJPCWGXYIFTF-ZJNXBRSJSA-N 508.540 5.904 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(c1ccc(OCCCl)cc1)[C@H](CC)c1ccccc1 962992725 YBSVERFKCLMYKR-PRDAIKMNSA-N 646.611 8.070 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2cccc(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085708 RPORTZNQTRLJEO-VWMWMKPNSA-N 772.560 8.421 50 1 KKGF CC[C@@H](Br)[C@]1(c2ccc(OC)cc2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963103150 YWFWTRIKQSNIIZ-NCDDYKGKSA-N 646.625 8.416 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCl)(c2c[nH]c3cccc(C)c23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368765 UHZYJQVFXCVUCW-IKYOIFQTSA-N 607.106 7.013 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@H](c2cc(S(F)(F)(F)(F)F)ccc2F)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948177 RDNGBYCSAFPMAP-WFHOOFKDSA-N 709.800 7.710 50 1 KKGF COc1ccccc1/C=C(\C#N)C(=O)NCCNC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]32)C1 1772638467 QYNSNEDVPMVNHI-NHIJOILWSA-N 587.761 5.981 50 1 KKGF 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CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCC4)C3)c2O)C12CCCC2 2356359074 CQAHCWKCVKJHEY-QNILBXCASA-N 963.361 10.229 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@@H]1C=C[C@H]1SSC[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C[C@@H]12 2356369752 HVPQVVHCBIQMRP-OXPYDYPCSA-N 705.895 7.328 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356371653 NMBBGKGXVDLYGG-KFQXVIFRSA-N 785.123 7.016 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)C[C@H](O)[C@@H]1CCN 2356380388 DBZVUZYQGKMFLI-VCDAFJIESA-N 760.072 5.115 50 1 KKGF CO[C@@H]1[C@H]2C[C@H]3C(C)(C)O[C@@](CC=C(C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 2356445819 PSPHEZYRWQNMDW-YEHYERSGSA-N 576.686 5.332 50 1 KKGF 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CCC[C@@]1([C@@H](Br)CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962673886 LJXGRMKMJUZEMW-GBXCKJPGSA-N 528.409 6.590 50 1 KKGF CC#C[C@@]1([C@@H](C)O[Si](C)(C)C(C)(C)C)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963032471 JLGLSMNPLLQEQD-KQJJYXKNSA-N 631.792 7.854 50 1 KKGF Fc1ccc2c(c1)C[C@@H]1CCCN1C2(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 963094304 CMIWTDIDLONJJM-LHEWISCISA-N 711.801 8.655 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)[C@H]1CC=C[C@]21c2ccc(F)cc2C[C@H]2CCCN21 963103772 OASUUHPODZHSQG-YSWFPEGGSA-N 643.876 7.444 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356299758 GRLWGNKNNLPNNN-UPTYPDBVSA-N 983.399 10.247 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC6(CCCC6)[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356353967 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714.946 8.841 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@]1(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@H](C)C3)C1)C[C@H]2CNC 2356756014 MGAUJXUOBXOSDP-RPYZEGJPSA-N 756.223 10.045 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356839193 LRSKWIVXIAITJF-KWLQSANCSA-N 774.018 6.351 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4NC5=C6C7=C(CC[C@@H]8CC[C@H](c9cccc4c96)[C@@]78C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)CN5)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356858840 SPBYNESJLDXDMX-MPSSAIFGSA-N 889.061 5.277 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(CC)=C1C=O 2356874433 YWCUTLCAOFDLEK-GKZWGGBQSA-N 855.133 11.493 50 1 KKGF COc1cccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4cccc(OC)c4n3C)n(C)c12 14944344 AHAJMDDSMVHMGD-UHFFFAOYSA-N 622.772 7.991 50 1 KKGF O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccc(Br)cc1 28708088 SAZHGXJVBMXVFW-AUEPDCJTSA-N 518.234 5.281 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](O)CO)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC 150345090 SZYLEOPJERUXOZ-RNATXAOGSA-N 908.828 11.418 50 1 KKGF in-vitro CCc1nn2c(C)cc(C)nc2c1Cc1ccc(/C=C/CN2CCN(C[C@@H](O)CO[Si](C)(C)C(C)(C)C)CC2)cc1 169941051 WCFXFXUDOPZAGD-WBKPCLEFSA-N 577.890 5.513 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CSCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253648193 WQOWZDQPDRPHPB-METWCNHMSA-N 668.871 5.620 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 299826690 NAHXECAGIFJKER-NFQMXDRXSA-N 561.086 5.780 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCN=c3[nH]c4ccccc4c4[nH]c5ccccc5c34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473120470 DBIVAQATKGKMML-ZRABYRIFSA-N 656.780 5.741 50 1 KKGF 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C[C@H]1CSS[C@H]2C=C[C@]3([C@@]4(C)C=CC[C@@H](C)C4)C[C@@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)C3 2356350851 KXDOYOLATPZWGK-UCGIMVMHSA-N 559.885 8.732 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)CNCC 2356352838 CHCKEAKMHNFOSD-IFQBIPINSA-N 642.966 6.098 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356364555 YOJJLWYJQIKEPC-MNVXZFHUSA-N 571.849 6.072 50 1 KKGF COc1c(O)c(OC2CCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 2356367431 CUJBFBCJBHBMIL-GFJFADBWSA-N 760.971 7.347 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)C=C[C@@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356392884 RVFYKXQFSWLLPU-NPVWRYPOSA-N 691.094 12.838 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356403491 LBFLZXMOORAOKX-DTXLUPKFSA-N 843.159 5.841 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)[C@@H]2C=CC[C@@](C)(O)[C@@H]2O3)O1 2356428565 PUWVYRQJEAWNIC-ATICBKAYSA-N 595.648 5.431 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCC[C@]78CCC7(CCCC7)C8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356457482 QMZCDBVLEFFHNJ-ZAVHWXCXSA-N 969.269 8.669 50 1 KKGF CC1(C)CC[C@]2(CO[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 2356528331 UUAGMUWFWZGYBW-LQNGQSDRSA-N 587.094 10.860 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356552473 QZCDTCUBNVZXQB-LZDISFCZSA-N 924.232 5.064 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@@H]1CC[C@H]1SSC[C@@]3(NC(=N)NCCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C[C@@H]12 2356573650 VZCWLRJTLWLJPC-MKCZPKOXSA-N 837.074 6.561 50 1 KKGF CC(C=O)=C[C@@H]1OC(C)(C)O[C@H](C[C@@H](CCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@]1(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 2356700809 ZGPNFPJEJZDCQU-VEAHVABJSA-N 879.258 8.169 50 1 KKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@@H]1Cc1cc(Br)ccc1O 2356802219 RYPNHNKSGHGUCG-MXRVMPPXSA-N 648.261 9.135 50 1 KKGF NC(=O)[C@@H]1Oc2cc(O[C@@H]3O[C@@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](C6=CCN=C6)[C@H]([C@@H]6CC#CCC[C@H]7C=CC(=CC6)c6ccccc67)CNC[C@@]35O)[C@@H]4O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1 2356842264 MMJABDBQEGLTKK-RXQPGEFQSA-N 985.126 5.289 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@H](C[C@@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)[C@H]5CCC[C@@]34C5)[C@@H]2CN2C[C@H]3CC[C@@H](CCc4ccccc4)c4ccccc4CSSC[C@@H](C3)[C@@H]21 2356864229 VSQOQQFUKKRDCV-ZOJQCCOMSA-N 756.175 9.366 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=CCN=C1 2356875113 ZZLXRKHPVGJNJV-FCEISLOVSA-N 929.147 5.866 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C(=O)NCCc1ccccn1 28563028 KYUQMTCUNIFCIQ-PFBJBMPXSA-N 677.731 5.044 50 1 KKGF N#CC1=C(N)OC2=C(SC3=NC4=C(C(=O)CCC4)[C@H](c4ccc(F)cc4)N32)[C@H]1c1ccc(Cl)cc1 32050720 WQEFZVYKNSVVPI-UNMCSNQZSA-N 504.974 5.623 50 1 KKGF O=C1c2ccccc2C(=O)c2c(NCCCN(CCCl)CCCl)ccc(NCCCN(CCCl)CCCl)c21 38143215 XEOXWGIVGCZSDR-UHFFFAOYSA-N 602.434 5.625 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)CCCC(C)(C)OO)CC[C@]23C)C1(C)C 66104540 PCHIVLNSEKZZQK-QFNQZFPKSA-N 520.795 7.793 50 1 KKGF C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@H]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)N=C(N)NC[C@H]3Cc1ccccc1 85549340 YUXJHICQCMVDPA-SMTQOGAPSA-N 635.940 5.552 50 1 KKGF biogenic,in-vitro CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)c([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C 96900579 PFIVGMSOOFLRAV-OHKKZSNUSA-N 647.684 8.281 50 1 KKGF C[C@H]1C=C/C(=C\C[C@@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 150343956 GWJCDXQAZZXAQB-OXOHBAAQSA-O 895.045 6.060 50 1 KKGF biogenic,in-vitro COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@H]3N(CCBr)CC2)CCN1CCBr 238761545 UUWCNAWTMKECEA-ROJLCIKYSA-N 808.608 8.693 50 1 KKGF CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@@H]1C 253647124 PTYVCIVEJQEWFZ-HBZSNRMHSA-N 879.828 5.734 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299814328 DFPBBOCDGYBNBR-WBKXXPOVSA-N 550.689 5.419 50 1 KKGF C/C(=C/CCC(C)(C)OC(=O)CCl)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 299826198 ZLAIBROJNOEYDX-JOUREUQLSA-N 613.707 8.080 50 1 KKGF CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299843338 CLNSNWKRDSPCEI-ZMNRLLRCSA-N 980.040 6.533 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(N3CCCC3=O)c2)[C@@H]1c1ccc(F)cc1 587319851 DDNZXUJVHFGNNR-RSXGOPAZSA-N 510.359 5.307 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)[C@H]1c1ccc(F)cc1 587332931 TXPJEGFRXGRTJH-SIKLNZKXSA-N 564.156 7.506 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497610 DBDDBBPQNUJZPR-SIKLNZKXSA-N 508.206 5.427 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 587541329 AZPSSYBPMAUSOH-LSYYVWMOSA-N 503.938 5.624 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 587685892 UMKDPJVDIKMWJC-LBEKAKSKSA-N 534.856 7.460 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 587692776 LQMCFUMFLWHZGV-HBCLZUACSA-N 669.459 6.499 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587714783 GUNMFIKRXKTFDZ-XVGPWNHSSA-N 693.069 7.464 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 587801241 FCAQEFASVRJXKL-OXXPAUDNSA-N 518.386 5.866 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[C@@]1(CCl)NC2(CC2)Cc2ccc(Br)cc21 961610607 BLKBZNMCOFGTLR-QTLAVVEESA-N 619.015 5.909 50 1 KKGF Cc1cc([C@]2(CCl)c3ccsc3CCN2Cc2cccn2C)c(C)n1NC(=O)c1sc2ccccc2c1Cl 962396964 IGLIPJXWERRSRP-LJAQVGFWSA-N 583.610 7.298 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CBr)(c2ccc(CBr)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962478644 XPVVILVJSIWDAF-PPTMTGTBSA-N 662.378 6.875 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(C(C)(C)OC)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679219 PXAGFLJADJLILS-HSZRJFAPSA-N 530.381 5.436 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc(OCCCCBr)cc1 963151341 SXIWJOBNCDEEJK-ZWKOTPCHSA-N 511.438 5.033 50 1 KKGF Cc1ccc(C(=O)NNC(=O)[C@]23CC[C@@H](C)[C@H](C)[C@H]2C2=CC[C@@H]4[C@@]5(C)Cc6cc7cc(Cl)ccc7nc6C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)cc1 1772575107 IUKCBCSPJHMICK-FDWMOYDUSA-N 706.415 10.329 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCc3cn(CCCOc4ccc5c(C(F)(F)F)cc(=O)oc5c4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857633036 PZDYUHNABRLUEQ-TXGXKAIYSA-N 649.663 5.640 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCCn4cc(CNC(=O)CCCC[C@@H]5CCSS5)nn4)cc3oc2=O)cc1OC 1857634008 IGFJGWJFXLNUGB-AREMUKBSSA-N 638.812 6.258 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@H]2[C@]12CO2)C3(C)C 2356338966 FQUUEVQWEWPIDX-HWKICYALSA-N 606.829 5.303 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356364525 XUGAPCZRFIWCDT-DDMXMHOSSA-N 863.244 9.580 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@@H]2O)c1O 2356459802 ZQGRECLODSEVMW-DIYUEDBYSA-N 768.991 7.760 50 1 KKGF C[C@@]1(C2CCCC2)CC[C@H](O)[C@]23[C@@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CC[C@H](Cc5ccccc5)C[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@@]3(O)CCC1=CC(=O)OC1 2356739580 KPNPXRWTOGYWEP-XDVNIYQSSA-N 949.373 11.263 50 1 KKGF CCC=CCC=CC=CC=CC=C[C@@H]1OC(=O)CC[C@H](Cl)C=C[C@H](O)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O[C@@H]2C[C@H](C)[C@H](O[C@@H]3CC[C@H](C)[C@H](O)O3)[C@H](C)O2)[C@@H](C)O1 2356791086 GJUOJLYCKBKRHR-XIOQXIBDSA-N 765.381 6.311 50 1 KKGF OC1=C(Oc2ccc(Br)cc2Br)C[C@H](Br)C=C1Br 2356802247 SADGIZRIFDKNBO-SSDOTTSWSA-N 503.810 5.806 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1C1=CCN=C1 2356809377 AQIYRFYTWHTRFI-PAMYWUCPSA-N 901.093 5.086 50 1 KKGF Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN)CC[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 28826819 HPZPQXBIIPRIRD-CQALUQFQSA-N 681.963 7.261 50 1 KKGF CCCC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29241339 RBGBYUGLTLOTDN-VPUSJEBWSA-N 641.548 5.289 50 1 KKGF C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 49888887 YRPYKRNVNZETQA-DDXSAHAISA-N 712.880 7.531 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@H]5/N=C(\N)N[C@@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC1)CC[C@@H](O)CC(=O)CC2 85626320 KLZHYVAKSSLKLX-KFXHKOJFSA-N 817.087 5.018 50 1 KKGF biogenic,in-vitro CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O 95547558 SQRZATQTBAUCNX-SLIXHBHISA-N 761.784 6.885 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4cccc(N=C=S)c4)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100725150 JQKFCNUCPHRFHS-LEGYJCIVSA-N 561.707 5.829 50 1 KKGF C=C1/C=C/C=C2/[C@H](CCC[C@H]3C[C@@]4([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]4(C)O)[C@H](O)[C@@H]23)OCC#CC/C(C)=C/CC1 103525607 YDGMHVQMNWFQPU-KORNHMJVSA-N 562.791 6.160 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccccc1Cl 103950339 JKGFNJIVFXVRLG-GOSISDBHSA-N 539.829 5.613 50 1 KKGF Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)sc(Br)c1-c1ccc(OC(F)(F)[C@H](F)Br)cc1 150585080 LILSGWMQSBFTCU-NRFANRHFSA-N 639.694 8.403 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 299816112 ROQIHFFCAPNSHV-IMQITEELSA-N 594.742 5.436 50 1 KKGF CC(C)(O)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 299819281 BNKPHPSLFQUVGS-QUMRLDBXSA-N 555.240 6.485 50 1 KKGF O=[S@@](CCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 586957629 AESILFBXPSOEKM-MHZLTWQESA-N 568.225 7.486 50 1 KKGF NNC(=O)c1ccc2nc(C[C@H](Cc3csc4ccccc34)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 587035532 XUCZCXBFTWPWAB-QFIPXVFZSA-N 587.705 6.074 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc2c1 587070311 GMFLQFQPNPBSSZ-UHFFFAOYSA-N 545.158 9.019 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](Br)C(C)(C)F)[nH]c3cc21 587086596 DTPXJKTYPSGNGF-VWLOTQADSA-N 609.404 6.166 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)[C@H]1c1ccc(F)cc1 587319249 AWVAZFCYQQJCLG-BHDXBOSCSA-N 600.440 7.013 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 587326993 NTDCVIZZYMUTJQ-XTEPFMGCSA-N 520.944 6.340 50 1 KKGF CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587498328 NARCYBIIMKXUPS-FTJBHMTQSA-N 508.873 6.722 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c(C(=O)O)cccc12 587637344 BPWOPYJLPPIIGO-QZYLQUFXSA-N 642.120 5.776 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 587670164 IGFQHBGKNKRVMY-VVVCHXIZSA-N 570.920 6.244 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)([C@H](Br)C(=O)c2cccc(Br)c2)N1 587670236 JJSNBJQHWLTMMA-DHTHFVMWSA-N 675.028 7.537 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 587689495 TWDWJBXHZZHFKN-DXPJPUQTSA-N 503.887 7.136 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 587689793 WHHSZPROKHWSQR-YEBMWUKDSA-N 505.815 5.741 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)C1 587858259 PPBOBUNRSKOCSM-YFWNDERMSA-N 618.056 8.075 50 1 KKGF COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621476053 ACBVOAQDAHYRRA-IPORQZAISA-N 662.740 6.287 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](C2CC2)([C@@H](Br)c2ccccc2F)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962712135 MFZRHHBYEZUGHH-CGJJMRMRSA-N 718.614 7.684 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cccc([N+](=O)[O-])c1F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772828 AMOYRDMIPOTSMX-NDEPHWFRSA-N 596.409 5.139 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]21CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1F 963903947 LLIMJABXUFQYMS-WOKFICFESA-N 645.888 7.294 50 1 KKGF C[C@]12CC[C@@H]3[C@]4(C=C[C@]5(C[C@@H](O)CC[C@]35C)OO4)[C@@H]1CC/C2=N\OCC(=O)Nc1ccc(Br)cc1 1772611934 CYBGSFNUBAAISV-NUEKQDCXSA-N 545.474 5.147 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857568423 RIYXYMFIJLYSEB-SAAWTJHJSA-N 650.466 6.421 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857599646 BMLVIYSRSZAGAT-INIZCTEOSA-N 571.480 7.165 50 1 KKGF COc1cc(-c2ccc(OCCBr)cc2)c(OC)c(O)c1-c1ccc(OCCBr)cc1 1857640471 UTJDTJIGWBGLHC-UHFFFAOYSA-N 552.259 6.291 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4cccc(Br)c4)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4cccc(Br)c4)cc23)cc1 1857640866 CAEAJLGGLHLUGG-UHFFFAOYSA-N 880.692 8.926 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)nc12 1857646472 JDTCDJOYCQBZDJ-UHFFFAOYSA-N 517.515 7.486 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccc(Br)cc2)nn1 1857748881 XQKVVTJQJGFCJG-XQOQDJPVSA-N 596.566 6.671 50 1 KKGF C=C(CCCC(C)(C)OC)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CBr)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]3CC[C@]12C 1857772795 YPLRAIBXFHTLPM-DUCPNJRVSA-N 716.636 9.046 50 1 KKGF O=C(COc1ccc(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(Cl)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911581704 WRJKYWYSPPUGBU-MHZDZULNSA-N 657.558 5.273 50 1 KKGF CCC[C@@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356369014 OQXLHAWXBPGHCG-CTLNCQKJSA-N 830.129 9.596 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC[C@@H](c2ccc(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356369469 XDQILRRCZAEOPS-FDHFVPJWSA-N 505.702 6.079 50 1 KKGF CC1(CC[C@@]23C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]4CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc54)CSSC[C@@H](C2)[C@H](O)C3)CCCC1 2356476573 LNOHMPWYOBERBA-BFAIMXCISA-N 874.182 9.347 50 1 KKGF N[C@@H]1NC[C@@]23CC[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C[C@H](C6CCCCC6)C[C@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356606162 GEUNEKQWQQZVKQ-KQUACHAFSA-N 955.256 8.838 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCC[C@H]1CCO[C@@H](CC(=O)CC2)C1 2356678209 WRNNAGQBEJAQST-WZONZLPQSA-N 524.704 6.899 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]6O)[C@@]54C 2356779494 UEXRYAPJVXUKIG-VYLCTNMZSA-N 920.244 6.092 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H](c2cccc(O)c2)SSC1 2356844023 NRTDFZWNXTXSHS-PEHBNZCNSA-N 606.810 6.537 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356870308 XPPSCLXYRHEQEI-NRJADCMQSA-N 900.129 7.173 50 1 KKGF O=C(NC(C(F)(F)F)(C(F)(F)F)P(=O)(c1ccccc1)c1ccccc1)C(C(F)(F)F)C(F)(F)F 73279459 BTDQBMHUARPTSB-UHFFFAOYSA-N 545.260 5.678 50 1 KKGF Cc1cc(C2CCC(OC(F)(F)[C@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103203316 VFTDIBRMMZUIIK-BOOFNHFASA-N 522.395 7.482 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCCC[C@H]3[C@H]1OC4=O 150345667 KHVOVXGEZOOIJA-NNFRZFOZSA-N 702.855 6.204 50 1 KKGF biogenic,in-vitro NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@@H](CCCc1ccccc1)C[P@@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[n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c3ccccc3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299869891 ASJIAKSJYQUYJZ-PUWNGIFGSA-N 738.919 6.740 50 1 KKGF in-vivo CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)N2C[C@H](Cl)CC(C)(C)C2)C1 473116716 XINQZTKNKBUFTN-KQZWIPHESA-N 627.653 6.723 50 1 KKGF Cc1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058832 JSIFZYGGZXIECB-UHFFFAOYSA-N 592.819 8.713 50 1 KKGF O=S(=O)(Nc1ccc(I)cc1)c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Cl 587185384 JDASXIAEMRZKFL-UHFFFAOYSA-N 635.805 7.946 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587327389 FWCOAJNDXCMHID-LITSAYRRSA-N 576.398 7.687 50 1 KKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328013 AEXJJTMBFGLBET-ZFGGDYGUSA-N 507.758 6.448 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 587375074 BXRYVLPFBPFZPJ-WTBLWNDJSA-N 512.488 6.187 50 1 KKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541320 AVXNJVALNJNCHS-IGBKUBFESA-N 502.950 6.247 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 587682305 LFLQWIKQHCXKEL-ZRNGKTOUSA-N 546.028 5.366 50 1 KKGF CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O 587939587 GVCBUIUXBJIAKF-VPICXTQMSA-N 813.386 5.216 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962700607 KEIMJHXGRSYDTQ-XQBPLPMBSA-N 531.344 5.065 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C)c1cc2c(cc1NC(=O)[C@H](C)Cl)OCO2 962999229 UEZPFAFJGNQRTF-FZEVHQGJSA-N 613.494 5.573 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(C)c1ccc(CBr)cc1 963061290 ASKXLVNTDQIVLD-BERHBOFZSA-N 543.458 5.324 50 1 KKGF COc1ccc(-n2c(C)cc([C@]3(CCl)c4scnc4C[C@H](C(=O)O)N3C(=O)OC(C)(C)C)c2C)cc1OC 963148068 OYPXFAMWZIQDTG-NFQMXDRXSA-N 562.088 5.297 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1c(-c3ccc(F)cc3)[nH]c3ccccc13)N(C(=O)c1ccccc1N)CC2 963159079 POMJCCIDPRBYHZ-XIFFEERXSA-N 570.064 6.754 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cccc(C(F)(F)F)c2)N1 963169589 GSKYOBBIOOPWKX-SHUZPENHSA-N 686.572 7.624 50 1 KKGF Cc1ccc2sc([C@@]3(CBr)c4ccccc4CCN3[C@H](C#N)c3ccccc3)c(C)c2c1 963191270 OEOLBQHIBOKTNH-LEAFIULHSA-N 501.493 7.280 50 1 KKGF COc1ccc2c(c1)[C@@](CCl)(c1c(C)n(Cc3ccccc3)c3ccc(OC)cc13)N(Cc1ccc(F)cc1)CC2 963301649 KZMURGSLSNNPEV-DHUJRADRSA-N 569.120 7.695 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)C[C@@H]3CO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857774959 MUMUTRNJZDWKQM-OVCFPRNTSA-N 976.119 5.880 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@@H]2[C@H]3CC[C@@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)CC[C@@H]6CCC[C@@H]6[C@@H]7CNC[C@H](C)O)c5)cc4CO)C[C@H](C[C@H]2N)[C@@H]3CC[C@H]1C 2356441717 BQAHUNAVVLIDFT-KSCOKZTNSA-N 949.382 7.972 50 1 KKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12)OO 2356474589 YDANZQNAKUJCQB-QGCRMUDGSA-N 500.676 5.498 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356729995 ZBCVXGURYIBQHX-SBJRSBBQSA-N 893.313 10.262 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@@H](O)[C@@H](CCC1)CC2 2356818931 DXPPPRVCSMNHTP-GMSLTRICSA-N 802.116 6.089 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@H]4[C@@H]5[C@@]6(O)[C@H](O)[C@@]7(CC[C@@H]4[C@](CO)(O7)[C@@H]6O)Oc4cccc6c4C(=O)[C@@]4(CSSCNC7=C8CC[C@@H]2[C@]15C8=C3CN7)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]4C6=O 2356824006 GQZXFAJVCJLPEP-LOECVOKASA-N 989.222 5.609 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1C=C[C@H]4[C@H](O)C1 2356841197 NFOOZTFTQSUWPZ-COVDMDKFSA-N 861.015 5.695 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@](CCO)(CC4(c5ccccc5)CCCC4)C#C[C@@H]3C=C12 2356852661 QSAVEAUHBIIKFF-NTFFJWJHSA-N 978.375 8.580 50 1 KKGF CC(C)=C[C@@H](Br)C[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 28978975 YFWHUHVSXGDPKJ-HRXYBDCZSA-N 505.625 8.853 50 1 KKGF Cc1c(C(=O)NN/C=C(\NNC(=O)c2oc3ccccc3c2C)c2ccc(Cl)cc2)oc2ccccc12 49053530 AKYFJTRMYYHEJM-JCMHNJIXSA-N 514.969 5.617 50 1 KKGF O=C(c1ccc(C[P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1)c1ccc(C[P+](c2ccccc2)(c2ccccc2)C2CCCCC2)cc1 84728402 CPLDZHGBQOHWLO-UHFFFAOYSA-N 744.940 11.920 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@]13CC[C@@H](C[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@H]4CO)[C@@H]1[C@@H](O)[C@H]2O6)[C@@H](C)CCSS3 150342901 LMMNQEFKHMLCLB-WLLFAFRQSA-N 732.917 6.424 50 1 KKGF biogenic,in-vitro CCc1cc2c(nc1N)C#CCc1c(CNCCCCOC)c(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 150343155 JAFYXASGZYMUGF-SSSSOETKSA-N 1027.360 10.040 50 1 KKGF biogenic,in-vitro CCc1ccc(C(=O)N(SN2CCN(Cc3ccc(Cl)nc3)/C2=N/[N+](=O)[O-])N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 150590648 OHQIJPWWPDREHI-BVNFUTIRSA-N 638.194 6.141 50 1 KKGF C[C@]12CC[C@@H]3[C@@H](CN=C4[C@@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 169714192 QJUSGHZQXLBGAH-KWSNDIILSA-N 529.563 5.717 50 1 KKGF C/C1=C/CC/C(C)=C/CC/C(C=O)=C/[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C1 195343086 XJBILGKCOVAJTM-CDXFIETRSA-N 527.573 7.137 50 1 KKGF CC1=CCCC(C=O)=C[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)CC(C)=CCC1 253798579 XJBILGKCOVAJTM-HSZRJFAPSA-N 527.573 7.137 50 1 KKGF Fc1cc(Br)c(Cl)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587137058 QWIXPDGNQURWCF-UHFFFAOYSA-N 530.513 8.205 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341330 WYQUWANZOAJLSA-BWFUOOARSA-N 753.235 6.720 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 587673198 LGWZOYBZXSPYTI-QLXKLKPCSA-N 561.289 6.047 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(c1ccccc1)c1ccccc1 587688783 OEPRLFDCHPZXLJ-ADSBAMQRSA-N 551.931 7.661 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O 587941118 RNBJSLHMEUFEGL-HZMZWCLISA-N 813.386 5.001 50 1 KKGF Nc1cc(S(F)(F)(F)(F)F)ccc1[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698631 NIZZXGWSYAOYRI-IFMALSPDSA-N 556.450 6.975 50 1 KKGF COc1ccc([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963007795 JXJPEVVYIZNDTH-HOFKKMOUSA-N 553.840 5.620 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 963067990 PSSSIGFIDSZJDW-HSZRJFAPSA-N 519.226 5.989 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)c4ccccc4C[C@@H](C(=O)O)N3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)no1 963099930 PUAMNGBICAQHEV-YFXFWNCGSA-N 642.199 8.176 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@@]1(CCl)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192309 YXIPBAGBROFVHU-XXVIJFABSA-N 771.056 7.467 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(Br)o2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857580185 UXDUVXYQKPADPT-QWGQAMISSA-N 642.370 6.203 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCC[C@H](C(=O)O)S(=O)(=O)O)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)C=CC=C(C)C2 2356342804 GQSPYHXXAXFCRB-UKLZWUMNSA-N 978.602 5.186 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@H](CCO)CO3)CCNCC1)[C@@H]1CC[C@H](O)[C@@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 2356366187 BSIAWCWEKPJUHQ-JACNRDMOSA-N 934.316 6.389 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@@H](O)C1)[C@H]2CCC(C)C 2356370215 NJOQOVRXKKKSQC-JEGQZIGQSA-N 759.092 7.542 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSCCCCCC[C@@H](O)C1 2356377826 MRSOXQWHADGTQT-FZCVONJVSA-N 939.342 10.795 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2)C[C@@H](O)CO 2356406273 RYWQWUZYZWJLEF-COOIEVAGSA-N 934.278 9.735 50 1 KKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)C[C@H](OC)O[C@@H]1CC(C[C@@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]32C)=C1C=O 2356618699 DRFPZBVYKVDYOL-BGTQTYOBSA-N 618.943 10.137 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356637003 DIPMZGXKEBWQAW-NXVQJWSESA-N 783.107 6.506 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@@H](CCCO)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356662825 IIFXRPBICSMTJQ-VYVVEVSXSA-N 903.173 7.983 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356826954 HLYLJCVMIVHGHV-HPGOASCASA-N 851.193 7.140 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSS[C@H]9CC%10=C[C@@H]2[C@@]1(C1=C3CNC(=C%101)N9)[C@H]4[C@@](O)([C@@H]6O)[C@@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]7C8=O 2356853930 RKWXQVHUSHTXFY-CUFDWXGASA-N 973.179 5.138 50 1 KKGF C[C@H]1CC(C)(C)N[C@@H](C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 14243554 GMWDETSLGDDKSS-KSEOMHKRSA-N 577.361 6.305 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OC[C@@H](O)CO)c3ccccc43)[nH]c2c(OC)c1OC 26501923 OVPDUDJBKVJTPN-GGAORHGYSA-N 735.146 5.719 50 1 KKGF CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43020497 ZAHQWXABSADFLA-QQNCSZGJSA-N 534.701 5.403 50 1 KKGF O=C1C(O)=C(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 95562189 ZDVUDKCNYFXCBF-UHFFFAOYSA-O 505.574 6.432 50 1 KKGF C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@@H]2Cl)C(=O)N[C@H](CO)Cc1ccccc1 100722576 DBWPNUKBARPCAA-RFUVVLSOSA-N 564.126 5.101 50 1 KKGF CS/C(N[C@@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)=C(\C#N)C(=O)NCc1ccccc1 103210683 AABQJBMJAIKCND-ZZIWUOEGSA-N 501.589 5.732 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccn2C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118922553 ISKQMPRXCVXJIK-PPZFJTESSA-N 576.517 5.186 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@@]34C[C@@H](CCCCNC(=N)N3)C[C@H](C4)Oc3cc(ccc3O)C2)C1 150347584 QSJFCWYCYGJVRJ-YZVHWGCJSA-N 793.021 6.810 50 1 KKGF biogenic,in-vitro O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150587012 BJFDRGBCFHJLKG-UZNNEEJFSA-N 765.322 10.138 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@H]5CC[C@]43C)[C@@H]12 255285118 YRXMJZHBWIPRHC-LLNMNRFISA-N 540.785 7.318 50 1 KKGF CC(C)(C)n1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c2sc(-c3ccc(C=C(C#N)C#N)s3)cc21 299822664 BUDXRFPPVPPJJX-UHFFFAOYSA-N 636.871 11.968 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321258 CTWNHCBKNYPPBB-OVUPDTRSSA-N 515.968 6.400 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 587684994 NJWQPUVRLKVIII-JBEBIEQOSA-N 522.245 6.245 50 1 KKGF CC(C)Oc1cc(-n2c(O)ccc2O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(Cl)cc1Cl 587943118 MNKQSGMTSRGSNM-FQYZXYFBSA-N 568.494 6.864 50 1 KKGF CCOC(=O)C(C)(C)[C@]1(CBr)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962670617 HCNFZAMNAJHZGD-VWLOTQADSA-N 572.418 5.601 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(c1ccccc1Br)[C@@H](C)Br 962992795 YIMREXXTGFRCQF-KWMCUTETSA-N 635.780 6.804 50 1 KKGF C[C@@H](Br)[C@@]1(C2CCC2)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963038748 YBVUCESFDBTJAV-XPJTVPPZSA-N 596.468 7.004 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](c2cccc(Cl)c2)([C@@H](C)Cl)N1C(C)=O 963329816 UXUDLUYTQNSAJG-ADEAQCODSA-N 756.661 6.014 50 1 KKGF N#CSC[C@@]1(c2sccc2Cl)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963583827 RGAFEQMVBNWQFH-SANMLTNESA-N 587.048 6.531 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1\C(=O)c2ccccc2[C@]12c1cccnc1CCN2C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963587836 XTWIYLVMWFDJQP-ULLHXSEWSA-N 675.667 6.007 50 1 KKGF O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 1772570648 ZUYTYXOKIWZBIE-UHFFFAOYSA-N 561.082 6.983 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@@H]1c1ccc(Cl)cc1 1857765281 AHKIBCOANMDZAQ-HOGVTVTGSA-N 581.109 6.624 50 1 KKGF C=C(CCCC(C)(C)OC)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 1857766556 MXBBSRWJZJIVQZ-FFSBYICKSA-N 551.252 7.944 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356292448 HFARLHLTUHQNDS-IAAOCKDJSA-N 713.922 6.898 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1c(CNC)c(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@@H]1O3)C2 2356315377 STMCPQMAHPFADU-FQDCSNTISA-N 955.256 9.074 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356395513 QWGCJUCPEHGEJR-DCQYOTBISA-N 793.017 6.794 50 1 KKGF CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)[C@H](Cl)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)=C[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@H](C)[C@H](O)C(=O)[C@H](C)[C@H](C)C=C[C@@H](O)[C@@H]2O 2356536405 JZUTVBHNLVBSJC-LHIKRQMKSA-N 957.724 7.452 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](c3cc[nH]c3)[C@H](C[C@@H]3C=CC=C[C@@H]3C)[C@H](OC(C)=O)CC(=O)C2)ccc1O 2356600527 OVJHSTQBRSXMIY-MQSLTECHSA-N 555.762 6.657 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@]3(CC1=O)[C@H](C=C[C@@H]3c1ccccc1)CNC(=N)NCSSCCCCCC[C@@H](O)C[C@H](OC(C)=O)CC2 2356644892 WUPIXQMGSJIJLA-CYMJXFMTSA-N 724.990 6.122 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCCC4)c(=O)oc3cc1O2 2356657624 OIBVTPRLRHZONI-FZGDDGPLSA-N 859.124 5.833 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@@H]3CC[C@]2(C)[C@H](Br)CC1 2356774864 FAZRQMPAZJJPQF-RVYQAKIESA-N 584.389 7.245 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@H](O)C[C@@H]6CCC[C@H]([C@@H]3[C@@H]2CN2C[C@H]3CC[C@H](CCc7ccccc7)c7ccccc7CSSC[C@@H](C3)[C@@H]21)[C@@H]4[C@@]65C 2356833661 KIMLRAHJSJLETM-HQSRDOGHSA-N 770.202 9.612 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356851132 QERRFFAURPVZHC-YGLQCILISA-N 756.043 7.760 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)C[C@H]5CC[C@H]4C[C@@H](C5)[C@@H]3O)C=C12 2356870530 XSLCOXYOXHOVIO-FKFXZZMWSA-N 856.208 6.971 50 1 KKGF CCCCCC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29238147 SLNRSPDRIVWKCN-YTMVLYRLSA-N 669.602 6.069 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCCCI)[C@H]3[C@@H]1CC[C@@H]2O 58508387 KVVLKOURBGMILY-LIHJZYAESA-N 552.581 8.171 50 1 KKGF C=Cc1ccc(S(=O)(=O)OC2=C(C(=O)OCC)[C@H](c3ccccc3)N(C(=O)CCl)[C@@H](c3ccccc3)C2)cc1 58539553 HEXDNQLETKIMAW-IRPSRAIASA-N 566.075 5.806 50 1 KKGF COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CSSC[C@H]4CCC[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 85532505 UCOQMHRCPBANSQ-IZMUIGOHSA-N 533.756 5.399 50 1 KKGF biogenic,in-vitro C[C@H]1CC=C[C@]2(C1)C[C@H]1CC#Cc3c(O)cc4cc3C[C@H]3C[C@@H](CSSC[C@@H](C)NCc5ccccc5C4)C[C@H]2[C@H]3C1 103574367 YDRNYFOWZIMLSN-WKSCKXLWSA-N 597.934 8.795 50 1 KKGF biogenic,in-vitro CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 150536453 AQORIEFKNIFUEU-KEOJRQEZSA-N 901.272 7.621 50 1 KKGF Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171113 SEBXXWGNVSZTGZ-CMRUAMDZSA-N 749.183 7.762 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@H](C)CCC(=O)O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299818413 BQZGIZZCEBSBQH-UUUSUALXSA-N 870.484 5.539 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)OCCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299868037 ZGXHHWKSRZRDMM-YMQJSZFKSA-N 913.147 7.834 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 587323798 UKTKUFRVJLDAFZ-IFMALSPDSA-N 506.165 5.943 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587371375 DETYQOFOOCIDSK-ZIQIWBPCSA-N 620.142 7.596 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 587674333 WFENCDXXEQOFIK-PRWKNARSSA-N 514.620 6.069 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc12 587689250 RCTKYHLIIIUUHS-YFONVMMFSA-N 527.821 5.525 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@@H](C)[C@](OC(=O)c5ccco5)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23Cl)N1 587692066 JMJKGMMXVVUYMG-WXWWVUNXSA-N 735.518 7.631 50 1 KKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587709884 CWBMNVRMGKHJIU-GTJPDFRWSA-N 531.438 6.846 50 1 KKGF CCCCCCC1(CCCCCC)c2cc(CBr)ccc2-c2ccc(CC#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc21 587876800 NUTFRUSBKXSCDI-UHFFFAOYSA-N 681.586 11.000 50 1 KKGF CC(C)(C)OC(=O)NCCCNC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@@H](OC(=O)N5CCC[C@H](c6ccc(-n7cc8cccc(C(N)=O)c8n7)cc6)C5)C4)O1)[C@@H](C3)C2 621478117 BHCPURISNBMBCY-WYGKVYPESA-N 826.992 6.611 50 1 KKGF Cc1c(C(=O)N/N=C/c2ccc(O)c(O)c2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1 653740721 PQQBAEOPOZSYLP-KVSWJAHQSA-N 515.784 5.983 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CCCCCCl)(c2ccc(Cl)cc2Cl)N1 962931763 XYXAAXPIRRUHSX-BDYUSTAISA-N 534.867 7.133 50 1 KKGF CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1OC(CO)=C[C@@]21c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963013080 HYZKHSPTDRWHNW-IPFQVWOQSA-N 665.102 5.193 50 1 KKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)c4cc(O[P@](=O)(O)OCc5ccccc5)ccc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c2C)c1 963079394 KKDIWASBIBWOTM-ZAONQEHXSA-N 849.342 10.255 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C1 963149209 SQTSKWWHBFOOSY-MHSYPZLLSA-N 597.851 5.864 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963578352 FBJPCWJLJMZHES-FZEVHQGJSA-N 651.483 6.270 50 1 KKGF C[C@@]1(c2ccc(NC(=O)CCCl)cc2)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963580050 KLZHZVSLYJLJBC-SSEXGKCCSA-N 595.021 6.189 50 1 KKGF O=C(O)c1ccc(OCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1857538721 PPGUJBZEIZKNJT-UHFFFAOYSA-O 555.675 7.584 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(CC1)C4 2356299375 BFEDPGQBBIBQIW-IUJBBRFXSA-N 890.181 8.319 50 1 KKGF C[C@@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356349983 RQFGLQLPUJCMBP-WHDGHSGNSA-N 545.859 6.223 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356356133 JGTPVOIBCYVSEC-MBLXNUTJSA-N 718.089 5.963 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@@H]1C#CCc5c(cc(OCCC(C)C)c(O)c5OC)[C@@H](O2)[C@@H](O)[C@H]31)C4 2356365863 TWNDEBAHKGIRBP-XEPWOVFLSA-N 702.935 8.554 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(Cc5cc[nH]c(=N)c5)CC(=O)N(Cc5cc(c6c(c5O)O[C@@H]5CCC[C@H]5CC6)C[C@H]1CC[C@H]3C2)C4 2356409561 LSPCJQXLIQFFCN-MZPNTQKSSA-N 957.361 9.196 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356445075 STYSUYBXEPXXKJ-BXNIXOJQSA-N 699.036 6.924 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C[C@@H]1CC(SCCCS)=CC(=O)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356524051 OAIXKVOWLJHSOF-LOYCUKJKSA-N 893.558 16.517 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C12CCCC2 2356713207 BNQIUCINMADZNQ-SKAQXCNCSA-N 953.359 8.179 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 2356830566 JJQOIXZVHDLFAQ-NQVYEHCNSA-N 885.121 6.088 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]34C)[C@]1(C)CC2 13834875 DHAWJSBWINUXKR-KPOXMGGZSA-N 508.699 6.054 50 1 KKGF CC/C(=C(/CC)c1ccc(O[P@@](N)(=O)N(CCCl)CCCl)cc1)c1ccc(O[P@@](N)(=O)N(CCCl)CCCl)cc1 49888567 PKIOPYYOOBASFD-WQBPCZGRSA-N 674.374 7.868 50 1 KKGF C=C(c1ccc(Br)cc1)[C@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653321 LWPHQIZHZGFZCD-YPNMQLSXSA-N 543.410 6.305 50 1 KKGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2ccccc2O)C2=C1C(=O)CC(C)(C)C2 169310101 PUIUWSIAQMSOET-HHHXNRCGSA-N 531.620 5.013 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(O)(COCc3ccncc3)C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169368501 XMMKAHFQBSMTGH-QKUZLJBCSA-N 713.909 6.611 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)c5ccccn5)[C@@]4(C)CC[C@@H]32)C1 195160267 LSGIMFHTWQNDHA-OPVGGYBHSA-N 509.851 8.259 50 1 KKGF COCO[C@H]1C[C@@H]2C[C@@H](O[Si](C)(C)C)[C@@H]3[C@](C)(CCC[C@@]3(C#N)COCc3ccccc3)[C@]23CC[C@@]1(C)C3 195224285 JXRYFCYSKNOTOS-NAJNZYPWSA-N 539.833 7.329 50 1 KKGF CNC(=O)NC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195524545 NCCCUOUXQBZNER-YLGHLPMVSA-N 919.248 7.187 50 1 KKGF CCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 253680260 BVDCSUCKQJSEMS-VXGWAJNMSA-N 618.764 6.104 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 253685766 HVQCHMISIPQSDU-ZXECKOOISA-N 557.873 6.064 50 1 KKGF CCCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253686063 JECQBHPHBSTJDJ-GVPVGBQSSA-N 591.528 6.220 50 1 KKGF FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)nn12 587120980 LZCMLDZNLUVROD-UHFFFAOYSA-N 663.186 9.141 50 1 KKGF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587201489 OFQBLSXEGNVGKF-UHFFFAOYSA-N 522.378 7.564 50 1 KKGF O=C1CC(C(Br)Br)(C(Br)Br)Oc2c1ccc1c2CCCC1 587497557 CUHXXQGGCYCDKI-UHFFFAOYSA-N 545.891 5.501 50 1 KKGF CCC(=O)OC[C@@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 587506666 LIWFWDQFMDTXJT-BVTQNZRFSA-N 697.240 6.360 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1OC 587543163 JQPMPCBYABAWEZ-GRKNLSHJSA-N 548.035 6.166 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OC(F)F)cc1OC(F)F 587552556 AKYHDALVYWRILE-WZONZLPQSA-N 543.263 5.847 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3N)c(CCl)c2c1 587616793 HDCPIGZMDVAWHQ-UHFFFAOYSA-N 565.833 5.636 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 587801242 FCAQEFASVRJXKL-ZGNHOLJKSA-N 518.386 5.866 50 1 KKGF CN(C(=O)NC(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 653865382 YYXIMKMAFBFHCU-LODFRUGASA-N 579.429 5.209 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)c1ccc(Oc2ccccc2)cc1 963138724 IBWAWNPVXADSTC-NBGIEHNGSA-N 545.455 5.820 50 1 KKGF Cc1cc(NC(=O)C[C@@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)n(-c2ccccc2)n1 963228901 FKLZFRUCXKLSJJ-WAQHJAAWSA-N 767.151 6.426 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1OC 963447569 KZLHODFMHRHPGO-IXVWYIKKSA-N 713.581 6.244 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772817 AJWWZFBNGZWNNW-ZOKDDAQRSA-N 580.106 5.021 50 1 KKGF Cc1cc(F)c([C@@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Br 963833915 YZLNEUFKACNJHO-AREMUKBSSA-N 558.289 6.741 50 1 KKGF Cc1cccc(-n2nncc2CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)c1 1772655331 TXHYJTAWAGFEAH-DIPNUNPCSA-N 612.653 5.745 50 1 KKGF CC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2ccc(COC(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc12 1857549231 UVMKBECDRRONTH-BCZWWMMMSA-N 712.171 6.682 50 1 KKGF O=C(CCc1cc(O)c(O)c(O)c1)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857580063 PQVFLKYLFSNEND-UHFFFAOYSA-O 542.636 5.407 50 1 KKGF Cc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857608060 KCNJNYAVAJCBNN-WEAWZCMZSA-N 580.084 6.635 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SS[C@H]3C=Cc4c(ccnc4N3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356291879 FAIFNMNQCZOVFT-ANXOCQOHSA-N 779.981 7.476 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCCC1)CC[C@H](O)CC(=O)CC2 2356354051 VKMUGRQEYBRBOD-BOXHTTTLSA-N 831.114 5.618 50 1 KKGF COc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@H]1CCO 2356357956 WBXVEHWFZSJIOW-AGFAMRBXSA-N 596.723 6.021 50 1 KKGF C[C@]12CC[C@@H]3[C@H](C[C@]3(C)[C@@H]3CC[C@H]([C@@H]4CSSCc5ccccc5CC[C@H](c5cccc6cocc56)CNC(=N)N4)C3)C(=CCO)C[C@]3(CC[C@H](CC[C@]4(O)CCC[C@H](O)C4)C3)[C@@H]1O2 2356707148 IMNUKFQCXGIXIW-XGTFBBGOSA-N 910.344 11.078 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356732974 MKOPDDSKRCCERF-VFLIAAMKSA-N 633.914 6.561 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1CO 2356833449 KGEWTVSDBMSGAA-NAMOAGMPSA-N 802.112 7.738 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C([C@H](O)CCC=C(C)CCC=C(C)CCC=C(C)C)=C4C)C(C=O)=C3CCC(=O)OC)C(CCC(=O)OC)=C1C 2356846390 ONQBLTRDWKCWPF-QSCHNALKSA-N 825.063 10.452 50 1 KKGF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(NC(=O)CBr)cc1)[C@@H](c1ccc(Cl)cc1)C2 13454942 VIJCKBVNOPJBOC-NXYDZRKXSA-N 519.867 5.026 50 1 KKGF O=C(N/N=C/c1ccc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 13492716 LFSSMXLRGWMGQP-WCMJOSRZSA-N 506.389 5.589 50 1 KKGF C/C1=C\CC/C(C=O)=C\[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C/CC1 39072365 XJBILGKCOVAJTM-PVLNEPQFSA-N 527.573 7.137 50 1 KKGF COc1ccc(NC(=O)CC(=O)NN[C@H](Sc2ccccc2)c2cc(/N=N/c3ccc(Br)cc3)ccc2O)cc1 73311270 FCUNZOSZRXWDAF-DSDRSIRCSA-N 620.529 7.019 50 1 KKGF CCOP(=O)(OCC)[C@@H](NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C 95585027 ZIOLCCGYOQFYGN-UUWRZZSWSA-N 582.726 8.159 50 1 KKGF CCN(CCCNC1=CC(=O)C(NCCCCCCNC(=O)CCCC[C@H]2CCSS2)=CC1=O)Cc1ccccc1OC 101284247 BLZFNCXLVXSHTJ-MHZLTWQESA-N 630.921 5.397 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@H]6COC[C@@](CCCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O 150357149 QVHBIUAQTMYMAU-GEDDVLNRSA-N 861.085 6.328 50 1 KKGF biogenic,in-vitro CC(=O)[C@@]1(C(=O)c2ccccc2)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] 150362018 VPUPUKRASVGRSS-DFBJGRDBSA-N 637.740 5.880 50 1 KKGF CCN(CCCCC/C=N\c1cc(O)c(NCCCCCCNC(=O)CCCC[C@H]2CCSS2)cc1O)Cc1ccccc1OC 169722281 DRWTVWGCVUJWCC-KRJFMXFVSA-N 673.002 8.694 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928810 XCQVIBNYJYFVME-TUFLPTIASA-N 674.961 7.861 50 1 KKGF COC(=O)CCCCCCCC[C@H](I)CCCCCCOC(=O)CCCCCCCC[C@H](I)CCCCCCI 238753774 PRINCSJYZDAODI-CONSDPRKSA-N 902.559 11.887 50 1 KKGF C[C@H](Br)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322539 NDTJQDWDGWZPLU-VKCVVMHYSA-N 520.192 6.332 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CBr)(c2ccco2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962473301 IDLDJPKBISDLQU-VAVYLYDRSA-N 559.416 5.574 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1cc(C)n(-c3ccccn3)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668631 CVWUGIKENBQMHJ-PMERELPUSA-N 584.038 6.706 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 962929775 UCCXERZFOREDHN-LMSSTIIKSA-N 558.432 6.837 50 1 KKGF Cc1ccc(C(=O)[C@@H](Br)[C@@]2(c3ccc(C)c(C)c3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1C 962938470 WRRYWTQOEBRWEW-AIXISBAESA-N 745.066 7.422 50 1 KKGF COc1ccc(C(=O)[C@@H](Cl)[C@@]2(c3ccc(OC)cc3)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962953500 IUWZHADRODFHCR-PXJZQJOASA-N 560.012 6.108 50 1 KKGF O=C1C(=Cc2cc([C@@]3(CCl)NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)c[nH]2)C(=O)c2ccccc21 962963870 YKJIPWWVYFEPTQ-MUUNZHRXSA-N 540.969 5.630 50 1 KKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1Cl 1772599583 OPDZMQOSPYCUNZ-JOCHJYFZSA-N 516.869 6.625 50 1 KKGF C[C@@H](CCNc1ccnc2cc(Cl)ccc12)NCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1857555814 BEFITUVVENYRBQ-FGTSGHKLSA-N 560.135 5.893 50 1 KKGF C/C(=C\CO[P@@](=O)(N[C@@H](C)C(=O)OCc1ccccc1)Oc1ccccc1)CO[Si](C)(C)C(C)(C)C 1857752171 OAOYKSGPQULCDH-AGPIYMDQSA-N 533.678 6.880 50 1 KKGF COC(C)(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](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 1857770645 MOVOMQKTRBAMPA-DDSRACOCSA-N 569.267 7.139 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(Cc2cccc3ccccc23)s1 1911578054 YCARFXRXJUCQIH-CJLVFECKSA-N 587.082 6.249 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@@H]4O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@H]2O1 2356396532 NQICGQXVXIAURW-MOZNDBTJSA-N 853.059 5.561 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356468592 JJRJGUZUBJCOQS-BIIDTLCUSA-N 714.101 7.032 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356539848 CAXXESPPODFQSZ-MBTDZICXSA-N 905.274 8.162 50 1 KKGF C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356593175 ZGBUZWCVDVGBIE-WDIJMZEHSA-N 569.953 7.100 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@H]1O2)C5)CC#CC1=C(C=C[C@@H](N)N1)C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356826035 HVKHMRBPJZZLCO-UNUYYPIGSA-N 992.273 9.413 50 1 KKGF CCCCC[C@H](C[C@H](CCc1cc(OC)c(O)c2c1CSSCN[C]1C=C(C=CN1)C2)OC(C)=O)OC(C)=O 2356849460 FOQFWLURLSHAGS-RPWUZVMVSA-N 577.789 5.685 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@]2(N3C=CNC3)CCC3(CCCC3)C2)SSC1 2356869236 XJWMMDJOIPKGBM-GVIWUWHNSA-N 676.949 7.570 50 1 KKGF CCCCN(NC(=O)[C@H](CCC)N1CC[C@@](CCC)(NCCCC2CCCCC2)C1=O)C(=O)OCC 26183274 VRRUTUVTDHFHTP-RBJSKKJNSA-N 508.748 5.166 50 1 KKGF c1cc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccsc2)cs1 29396613 AHGNWCRVAXPIKQ-UHFFFAOYSA-N 542.950 6.370 50 1 KKGF C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(CCCC4)OO3)c2)cc1)[C@@H]1COC2(CCCC2)OO1 42852485 BMSMGNRTIVOHFL-NSOVKSMOSA-N 506.595 6.740 50 1 KKGF C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 85544645 SLNGACCBOMIVGF-BGVTZSJESA-N 514.747 6.014 50 1 KKGF biogenic,in-vitro C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@@]6(O)C[C@@H](N=C(N)N)CSSC4)O[C@@H]21 85594352 PEERDASTVYCOSA-WRHVQLCESA-N 706.887 5.511 50 1 KKGF biogenic,in-vitro COc1ccc(Nc2nc(NCCNCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nc(NCCN(C(C)C)C(C)C)n2)cc1 150524690 TUUOGZXTBPACHL-GIUIJHRJSA-N 712.937 5.381 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@H](Cl)C[C@@]2(C)[C@]1(OC(=O)c1cccs1)C(=O)CCl 253693050 UVSRXUYQBDAGKD-CHLDEUEOSA-N 555.951 6.584 50 1 KKGF C[C@@H]1C[C@@]2(N=C(N)CS2)[C@]2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO[Si](C)(C)C)C[C@H]3O[C@@H]2O1 261138345 MPEFSOBLCQKHQA-ZVVIJJPLSA-N 763.159 6.200 50 1 KKGF O=C(Nc1sc2c(c1-c1nc3cc(S(F)(F)(F)(F)F)ccc3[nH]1)CCC2)c1ccccc1Cl 587030704 JZPBTGHXOVATAB-UHFFFAOYSA-N 519.948 8.343 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587323920 USIOCSRYRYBQFE-PZSUSGJMSA-N 505.767 6.231 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 587327565 QAKXKQVLWQIUTN-BHBYDHKZSA-N 533.983 6.219 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 587555933 MRXWXYXQESSSOC-PRNOATFWSA-N 539.962 6.886 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 587687464 GVEGHDDBYHWZQM-PVPMGCCUSA-N 501.871 6.501 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl 587689814 WRNJVAPYIJOXDH-DAOPMYJZSA-N 530.696 7.319 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 587711806 MKFHALBAOCGJHL-VVVCHXIZSA-N 549.122 6.799 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 587764203 CEYPLXDEIKWNIV-HLTAYJHSSA-N 510.495 6.961 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O 587940865 QBKBGCBJNZQEKI-NEXFXOQTSA-N 813.386 5.001 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CCl)(c2ccc3nc(O)[nH]c3c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962573379 RJTNQLXHRPXMNL-WXGMZPBLSA-N 581.028 5.406 50 1 KKGF Cc1ccc([C@]2(CCCCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1 963071094 VVXBKIXFCUUJBC-NDIVSWGXSA-N 527.061 5.736 50 1 KKGF NC(=O)c1cc([C@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O 963091074 SYZDMKRDBXABJZ-LBHUVFDKSA-N 647.569 6.433 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 963157289 KJIQQPDMJCKZOP-MDHXRGRUSA-N 693.247 7.457 50 1 KKGF Cc1cccc2c1[C@]1(C=C(CO)OC3=C1OC(N)=C(C#N)[C@H]3c1ccc(C(C)(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963855113 RVAOEHWJJUVXHK-XWRPZKLYSA-N 627.738 5.750 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](c2ccc(OCC(=O)O)cc2)([C@H](C)Br)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947127 KVNFYLOTBZZMBA-QCEVWBBBSA-N 746.746 5.314 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(/C=C/C(=O)c4ccc(Cl)s4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772617874 XLKAJCXMMVIUNT-JCGBFFRVSA-N 575.123 6.901 50 1 KKGF COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)C[C@@H]1CCSS1 1857580390 FAGAHRRIHCAACY-FQEVSTJZSA-N 533.679 6.668 50 1 KKGF C=CC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](Cc2cn([C@@H](Cc3ccccc3)c3nc(C(=O)OC)co3)nn2)C1 1857606123 FTKGTPCVWLEKTB-SEDKXUNQSA-N 564.803 6.810 50 1 KKGF CCC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](Cc2cn([C@@H](Cc3ccccc3)c3nc(C(=O)OC)co3)nn2)C1 1857621101 KLTZSMBVSFJMKE-SEDKXUNQSA-N 566.819 7.034 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3ccc(-c4cc(-c5ccc(Br)cc5)[nH]n4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857764518 VBFSEDNKJOTGOY-ICJCZORPSA-N 581.507 7.093 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@@](C)(O)[C@@]4(CC1)[C@H]2O)CCC=C(C)C 2356363949 RNKLDKHUYHVLLN-MITDYBIUSA-N 536.753 5.526 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@H]41 2356373943 KVYUQLUBYBPXHB-CNYNTWGUSA-N 920.296 6.229 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@@H]2CC[C@H](O)Cc4cccc(c4)CC[C@H](O)CN[C@@H]4C(=O)N[C@H](N)c5cccc(c54)CC(=O)C(C)=C2CC[C@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356686151 UPAFSYOLUKYGQO-WZOFHOFNSA-N 962.332 7.765 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356709304 YADGZZKEMOAYDU-KFWXGJJXSA-N 843.159 5.841 50 1 KKGF COC(=O)c1ccc2c(c1)C[C@H]([C@]1(O)CC[C@H]3[C@](C)(CC=C(C)C)[C@H](Br)CC[C@]3(C)C1)O2 2356799285 UGLJQQPCFVYFSM-CEWUDQLRSA-N 505.493 6.234 50 1 KKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@@]1(C)[C@H](Cc2cc(Br)ccc2O)C(=CI)CC[C@H]1Br 2356802220 RYPNHNKSGHGUCG-YNIBOWSTSA-N 648.261 9.135 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(CC5=CCNC(N)=C5)CC(=O)N(Cc5cc(c6c(c5O)O[C@@]57C=C[C@H]6C[C@H]5CCC7)C[C@H]1CC[C@H]3C2)C4 2356815449 CRQCXZDLGWSZFN-SVQZLXLSSA-N 983.399 9.347 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356855701 RSKDJIUGLMQCGI-BYVZSAKJSA-N 571.849 5.589 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1C1=CCN=C1 2356871797 YLCVMWQVNKGVGF-UXEWUOCUSA-N 858.024 5.496 50 1 KKGF COC[C@@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 49823268 CYDIIQJNDGNGOH-XKYNIAOTSA-N 638.795 5.451 50 1 KKGF C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CCC[C@@]3(O)CC/C(=C(/C)C=O)[C@@H](CCCO)[C@@]23[C@@H]1O)CCC=C(C)C 85567181 HUBIYDMTGAHBSA-YHUKIPDNSA-N 512.731 5.360 50 1 KKGF biogenic,in-vitro COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]3CC[C@H](C[C@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H](C)CCSS3)[C@H]2O)c1O 85567655 WHTFGORBOWLYCB-PMJIFZMGSA-N 768.991 7.616 50 1 KKGF biogenic,in-vitro COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)[C@H](C)Nc3c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC 95546524 KHWHDYUTJNRFFI-NZQKXSOJSA-N 817.256 5.877 50 1 KKGF CC1(C)[C@H]2C[C@@H]1[C@]1(C)OB([C@@H](CCCBr)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@H]1C2 169979007 NCDHKRAKNPGZPV-YFLRSPMBSA-N 708.503 5.443 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(CO[Si](C)(C)C(C)(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 473171646 UHKLISDAEOVRNC-WHONGPPWSA-N 556.992 10.027 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1 587321064 HYWJXVWFOZHRND-RSXGOPAZSA-N 512.375 5.017 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(=O)O)cc(Br)c1CBr 587874568 BXRKTVKCHHIQFM-UHFFFAOYSA-N 534.031 5.059 50 1 KKGF COc1cc2c(Oc3ccc(/C=N/NC(=O)Nc4ccc(Br)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1 653698634 PXZWYYUFOHIIPT-QLQYKETESA-N 650.549 7.348 50 1 KKGF COc1cc(/C=C/C=N/NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)cc3)c2C)cc(OC)c1O 653744961 IUQGDILLPXRENO-AECDSUATSA-N 585.875 6.960 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@H](c2ccc(CBr)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962566233 DXLMOSASGAGYMN-PXJZQJOASA-N 587.445 6.465 50 1 KKGF CCN(CC)C(=O)[C@@H](Cl)[C@]1(C)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962681736 XCZFEHPXIMMOQS-RDGATRHJSA-N 526.983 5.112 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 962925290 YSWBGMSDORDDMS-JTHBVZDNSA-N 540.307 5.580 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(CC(C)(C)CC3=C1[C@H](c1cccc4ccccc14)C(C#N)=C(C)N3)N(C(=O)c1ccccc1N)CC2 963158145 MXOISYNJKMGQIJ-QLKHQFKLSA-N 624.785 7.592 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2cccc(Cl)c2)([C@H](C)Br)N1 963163889 SCJHZDRLCCKMLN-NGUGRHTISA-N 667.047 7.647 50 1 KKGF Cc1ccc([C@@]2(CCCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963193359 JQCWFYFXOARAEY-IUDBTDONSA-N 542.031 6.721 50 1 KKGF COc1ccc2c(c1OC)[C@@](C)(c1cccc(NC(=O)CBr)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795051 ANZBHKVHECHTQP-SSEXGKCCSA-N 590.474 5.050 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)([C@H]1C[C@H]3CC[C@H]1C3)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963806475 HANKFVWMJOJFQH-PIVBEPGRSA-N 507.030 5.323 50 1 KKGF O=S(=O)(c1ccc([C@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1)N1CCCCCC1 963833508 WLVKXGPHPZUSNS-HKBQPEDESA-N 608.602 6.096 50 1 KKGF O=C(N/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1)c1cc2ccccc2oc1=O 1857620797 JFZYPSRPDFIZKK-NFEBKBJESA-N 519.941 5.407 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc6cc(ccn6)[C@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356305171 QIOXPPHUPDEYER-SPIWFDGLSA-N 758.963 5.888 50 1 KKGF CN[C@@H]1CSSC[C@](C)(O)CC[C@H]([C@H](C[C@H](OC(=O)[C@]23CCCC[C@@H]2CCC(=O)N3)C2([C@@H]3CC[C@@H]4c5c3ccc(O)c5OC[C@@H]4CCO)CCNCC2)OC(C)=O)CC[C@@H]1O 2356349694 LTMFVICKYUJLDI-WFDKASDBSA-N 890.219 5.458 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](c2ccccc2)CC[C@]32C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356366601 MSJXOGJMFUVSRA-NNVHOQPESA-N 951.353 10.317 50 1 KKGF CN=C1NCC[C@@H]2SSC[C@H]([C@@H]3C[C@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)Cc3ccc(O)c(c3)O[C@H]3CCC[C@@]2(C3)N1 2356370911 FDLSNJROBWZSFO-WQOVRTTJSA-N 778.994 6.223 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(CSSC[C@@H]7CCC[C@H](CO)[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@@]7(O)C3=CC6=O)[C@]54C 2356372905 OOUPMYNYCUSDLH-QRMJGYCZSA-N 904.245 6.773 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@@H]([C@@](O)(CCCCO)C1CCN(CCCOC)CC1)C3 2356431857 HMJLYNKLXVLNNK-BTEYVUPQSA-N 800.946 5.313 50 1 KKGF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C=O)CC[C@@H]3CC=C(C)[C@H](C[C@@H]4C(=C)CC[C@@H]5[C@](C)(C(=O)O)CCC[C@@]54C)[C@]3(C(=O)O)CC[C@H]12 2356460505 XKQQQMUUEMKGNN-OHIXVXQYSA-N 618.899 9.447 50 1 KKGF CC(=O)O[C@H](CC=C(C)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 2356508485 YNDZQZOHHGRSLG-KYOBUAJPSA-N 671.710 7.130 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@@H]2O)O3)cc(OC)c1O 2356529521 JLBJMKHHDLHGGX-GAKZPXADSA-N 696.884 6.422 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@@H]41 2356725387 NICUEXOVGURABD-CHIXKOQGSA-N 944.318 6.251 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1C=C[C@H]4CC1 2356821789 GETDGDJEINETKW-DEJRFUFSSA-N 845.016 6.725 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356849320 PVCRGSNCIZTILO-RPNMHFCFSA-N 770.114 9.793 50 1 KKGF O=C(CBr)Nc1ccc(Cn2c3c(c4ccccc42)C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1 28763378 BQROMVZIEGHMFK-JJVQHPENSA-N 640.578 5.428 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cccc(OC)c4cn3)ccc2[nH]1 29235972 BSVODZICKHDGHM-QGZVFWFLSA-N 692.050 6.952 50 1 KKGF COc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1 42922075 GQOQMIPQIRMRFX-UHFFFAOYSA-N 574.512 8.068 50 1 KKGF O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\c1ccc(OCc2csc(-c3ccc(Br)cc3)n2)cc1 72122134 XWHGWNNNRVMNQQ-PBEOLHQGSA-N 657.537 7.987 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl 82181787 RXTOYKYVEKOFCF-FGZHOGPDSA-N 691.612 6.920 50 1 KKGF O=C1N(CCCCC[C@H](O)Br)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCC[C@H](O)Br 96126610 JHBZEJFCXWXNHI-MYTZRPOQSA-N 684.510 5.216 50 1 KKGF CC(=O)O[C@H]1C[C@H](Br)C(C)(C)[C@]2(Cc3cc(Br)ccc3O2)[C@]1(C)Br 137419469 CAGDZOSVGZMMGW-CWLKWCNXSA-N 525.075 5.402 50 1 KKGF CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@@H](NC[C@H](C)O)[C@H](C)C/C=C/4OC5=O)[C@@H]21 150344205 QIOXPPHUPDEYER-YTWUSRQZSA-N 758.963 5.888 50 1 KKGF biogenic,in-vitro NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@](CC[C@H](CCc4ccccc4)C[C@H](O)CO)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O 150349120 JDWLOJWPRBOLAG-LVRXWVKXSA-N 983.286 8.544 50 1 KKGF biogenic,in-vitro Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)O)c1=O 170171122 HSRHKBARXBESOI-PXFVTCTCSA-N 659.058 6.103 50 1 KKGF CCO[C@@H]1[C@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(/C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 257445352 IKFKEJSONUWRCD-QGLNDAONSA-N 590.713 5.722 50 1 KKGF endogenous,in-man Cc1cc(/C=C(/C#N)c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057795 WWQNXOYQWQJIBX-HMAPJEAMSA-N 513.428 7.920 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(C(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 587327779 HLYMKXUWUNJJHY-DENIHFKCSA-N 513.256 6.339 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587328534 JLSGEUGVNBFKDF-IRLDBZIGSA-N 563.263 7.218 50 1 KKGF CCCc1c(O)ccc2c1O[C@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)CC2=O 587457200 WDJRHNBHRJHOLC-MUUNZHRXSA-N 523.423 5.886 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 587725838 GOMUEZUMJPAXLB-OZAJXLCCSA-N 540.235 6.384 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4cc5ccccc5[nH]4)cc3F)ccnc2cc1OCCCN1CCCCC1 653810860 BTDYFYSLZITPFM-SEBMTOOBSA-N 610.690 7.067 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CBr)(c2ccc(CBr)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962478646 XPVVILVJSIWDAF-QLWXXVCSSA-N 662.378 6.875 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccccc1I)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678634 MJCKBQRXRWXCQP-RUZDIDTESA-N 660.268 6.664 50 1 KKGF COc1cc2c(cc1OC)[C@](CNC(=O)CCCl)(c1scnc1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679026 OZKPBHWQBATTJQ-AREMUKBSSA-N 582.044 5.175 50 1 KKGF COc1cc2c(cc1OC)[C@@](/C(C#N)=C\Nc1nc(-c3ccccc3)cs1)(C(C)(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962681991 YARCBZZYOKMIHQ-RFVRQYDVSA-N 646.735 8.306 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc(Cl)ccc2Cl)N1C(=O)c1ccc(Cl)cc1 963026828 WRVZGXNZSOEOID-NVQXNPDNSA-N 548.253 6.762 50 1 KKGF Cc1cc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)c(Cl)c1 963028730 XUHNJHPZTYIKOD-NSJVFKKDSA-N 624.927 7.655 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1cc(C)n(Cc3ccc(F)cc3)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809969 ZONJNZHBUZRVAX-DHUJRADRSA-N 614.117 6.541 50 1 KKGF COc1ccc([C@@]2(CCCCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963927751 DHNLJORIKMNAJD-MHZLTWQESA-N 526.468 6.100 50 1 KKGF C[C@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857601105 ORWRBNYDYYFBET-INIZCTEOSA-N 533.359 7.150 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)[C@@H]6CNC(=O)C6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356372202 ZZMPKZQKNVUEEV-ICEQYTQISA-N 985.316 6.032 50 1 KKGF COC[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@H]3C1)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC5 2356505215 WIKGKVNANXJSFR-SPRDWYCRSA-N 929.259 6.516 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@H](C)C3)C2)C[C@]12CC[C@@H](CO)C2 2356544852 GIPFFTDVEPKROP-PFZRPLOPSA-N 743.180 9.818 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 2356713404 HSSDCDUQXSGFCF-VMHIZVBFSA-N 920.207 8.486 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4CC5=C[C@@H]6C7(CCCC7)CC[C@@]6(C[C@]6(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]6O)c3ccnc(c35)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356734460 QBULKGWWWRHSPY-IQZHUGMESA-N 879.066 5.961 50 1 KKGF C[C@H](O)NC(=N)NC[C@H]1[C@@H]2CC[C@@H]3[C@@H]4[C@H](O)[C@@H]5C6=C(CCC[C@@H]63)[C@@H]3C(=C5C(C)(C)C[C@@H](n5ccnc5)CSSC[C@H]5C[C@@H]4[C@@]2(C)[C@]5(O)C2=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]21)CCCC31CCCC1 2356759778 WXCSJIMWPMFBPN-HDQOXTLWSA-N 984.427 8.355 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@H](C2CCCCC2)Cc2cccc(c2)C1 2356779174 NMOYBIPBMJFVHK-KUARQFJGSA-N 767.108 7.125 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356846457 ONZOORMYIZRWNJ-PQLPGEPHSA-N 967.356 8.570 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4([C@H](C)Cc5ccccc5)CCC[C@@H](CC45CCCC5)[C@H]3O)C=C12 2356852146 QNOHXLAMRMJOJQ-WRERMTSHSA-N 974.387 9.364 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356853214 JJXIXWIQPXMKKY-DMRIIGQFSA-N 728.957 6.878 50 1 KKGF C=CCCCC[C@@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC 58599941 VOGBKCAANIAXCI-NAQJMGRXSA-N 626.963 10.319 50 1 KKGF biogenic O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 72173196 JHDFUIVMKYSCBA-UHFFFAOYSA-N 563.411 7.320 50 1 KKGF N#C[C@H](NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)c1cccc(Oc2ccccc2)c1 82186832 NTWDPASAZAVQFQ-SANMLTNESA-N 701.397 9.366 50 1 KKGF CCOC(=O)/C(C#N)=C/[C@H](C(=O)N1c2ccccc2Sc2ccc(Cl)cc21)[n+]1ccc(N(C)C)cc1 95594412 KDDWKTNTLVPEKK-KEWFZMHCSA-N 520.034 5.077 50 1 KKGF COc1ccc(C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC(C=O)=C(n6cncn6)[C@@]5(C)CC[C@@H]43)C2)cc1 96933831 LBQAKKZJRKPHKE-HURDLCFYSA-N 501.627 5.495 50 1 KKGF CC(=O)O[C@@]1(C[C@H]2CC[C@@]34C(=O)O[C@@](C)(CC[C@H]3Br)[C@@H]24)CC[C@@H](Br)C(C)(C)C1 138241752 SJYSXOUMHQMJSR-LHGAXIIMSA-N 520.302 5.537 50 1 KKGF CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 150347368 AMBOEYLMEUJYPF-DGXWKRQJSA-N 935.351 10.804 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3ccc(C#CCCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309821 YWSALYONOOFRNJ-VQRQAMGHSA-N 746.938 7.619 50 1 KKGF COC(=O)CCCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCCO[Si](C)(C)C)O[Si](C)(C)C 195810465 AXYGYRFFYLDNRN-SVBPBHIXSA-N 563.057 8.913 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 253952374 ZMYCLKSPUUAQFN-CYZUJJBISA-N 945.072 7.011 50 1 KKGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)[C@H](c4ccccc4)N(CCC(C)C)C(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 473160496 YEMSQDLCTUNITH-UZWBAQISSA-N 622.898 8.539 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3c(F)cnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056189 NYVHXLKBTSXDBB-NTUHNPAUSA-N 505.178 6.638 50 1 KKGF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587192640 YDDBUXUDQQWSEM-KRWDZBQOSA-N 542.368 7.939 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324131 WDJMVODNJGVFRU-VBEDXHCZSA-N 547.420 7.148 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587325887 HKFFKFRIUYPZHH-FIBWVYCGSA-N 562.380 6.209 50 1 KKGF O=C(Nc1ccccc1)[C@H](Cl)[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545926 SZXWRLGETWRRPH-KHGZIGHDSA-N 530.920 5.404 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1Br 587566854 BOGWDMUBSAQXDE-GHTZIAJQSA-N 508.137 5.546 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587688675 MZNLBTMZYOWORG-NDHZUNLQSA-N 511.866 7.390 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](Cc2ccc(F)cc2)NC(=O)OCc2ccccc2)N1 587735343 PLUPUTQVMKOUMV-XMFBKKLCSA-N 563.870 6.233 50 1 KKGF O=C(CCl)Nn1c(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)nnc1Sc1ccccc1 653706003 KVORDUGDTICACW-HSZRJFAPSA-N 588.904 6.490 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4cccs4)cc3F)ccnc2cc1OCCCN1CCCCC1 653810962 SUUGGPBLTVSKMW-FMFFXOCNSA-N 577.682 6.647 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](c2ccccc2)([C@H](Cl)S(=O)(=O)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962400831 HFJQPUMPGQAXPZ-SNNBDPDLSA-N 665.167 6.624 50 1 KKGF COc1cc2c(cc1OC)[C@H](c1ccc(OCCBr)c(OC)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962681296 VFRDMVZJJFLNJT-SANMLTNESA-N 594.424 6.293 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2c(F)ccc(Br)c2F)N1 962693433 FXFVEQYBDXFORW-SUMWQHHRSA-N 547.087 5.123 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CBr)c1cccc(Br)c1F 963000580 YJTQWMZNGDMHTO-MHZLTWQESA-N 639.743 6.555 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(C)n1[C@H]1CCS(=O)(=O)C1 963034248 YTHFUCGFJJTJJW-RFWMVBAASA-N 629.182 5.095 50 1 KKGF COc1ccc([C@]2(CBr)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(Cl)c1 963041223 PSFSABWVKFWOPU-LHXZUMEBSA-N 668.918 7.526 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@H](c2ccc(N3CC[C@H](CO[Si](C)(C)C(C)(C)C)C3)nc2F)N1 963163813 RRSNXYMQUKSTCI-GHFPZNKLSA-N 758.027 8.438 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21c2cccc(Br)c2CCN1C 963280084 MAULESKYKXPOCV-PTFIGZPYSA-N 544.276 5.993 50 1 KKGF CCOC(=O)C[C@@H](Br)[C@@]1(C)c2cc(O)ccc2C[C@@H](C(=O)OC)N1C(=O)OCC1c2ccccc2-c2ccccc21 963378585 GWFQPPQRNFJROG-YUXUKGBOSA-N 622.512 5.673 50 1 KKGF CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1 1857558011 QCVAULIYZATFDX-JOCHJYFZSA-N 609.148 7.524 50 1 KKGF C[C@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857566844 AXMNSIBKVHBADH-INIZCTEOSA-N 510.359 6.040 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]43 2356292777 JDSAMBQAJFSNIF-RDPBFAOESA-N 714.910 5.171 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356360066 YASGUXKYKLJBRB-WVLAQSOTSA-N 943.374 10.923 50 1 KKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H]3O[C@]3(C)CC[C@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@@H]12 2356502110 XXZGDAJOFSALEJ-LNVFAYQNSA-N 584.389 7.101 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCCC[C@H]2CNC)Cc2cccc(c2)C1 2356517621 PCGULFQBINMLEC-AYRBWRCYSA-N 968.374 6.889 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@@H]5C[C@]67CCC[C@]6(C[C@@H]5[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4)C[C@@](O)(CO)CC7 2356564646 WNKDLTHWOVDVNO-JMUDZYQWSA-N 998.321 8.850 50 1 KKGF CCCCCCCC(=O)OCCC=C[C@H](Cl)[C@H](O)[C@@H]1OC(=O)C=CC=Cc2nc(oc2C)C=C(C)CC[C@@H]2O[C@H]2[C@@H]1OC(=O)NC(C)=O 2356692214 NUFYUEFOFGVVLM-ODDDOQRKSA-N 691.218 5.888 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSS[C@H]7CC[C@@H](CO)C(=C75)C6)[C@H]4[C@@H]2O)O3)c1O 2356693249 DMIOJGCXYNMWOP-XUBZOTOGSA-N 953.276 8.913 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC1(CCCCC1)[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@H]1C2 2356768332 OKHULJAVBCFWEW-PMKASJGESA-N 668.022 8.337 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H](CN2C=CNC2)SSC1 2356810728 BAXOEYXEVQMVQJ-MDERBLSRSA-N 594.803 5.792 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CC(=C(N)N[CH]2)[C@@H](Cc2ccccc2)SSC1 2356812369 GYRUTCDAPSYMBY-LQBHKMHESA-N 603.830 6.864 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356826252 HWJMMVOGPDSAIE-IOUQRWHSSA-N 829.006 6.803 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356854575 RQGPUGCGQBAXPP-JYOAHJLBSA-N 873.151 6.187 50 1 KKGF O[C@H](CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c1ccccc1)c1ccccc1 28218450 GDAPOSVBSIEQNR-MEKGRNQZSA-N 590.944 5.314 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873546 VNIYDFGJWDKRPJ-BJKOFHAPSA-N 661.796 6.774 50 1 KKGF O=C(Nc1c([N+](=O)[O-])ccc2ccccc12)c1ccccc1SSc1ccccc1C(=O)Nc1c([N+](=O)[O-])ccc2ccccc12 29472686 JKYYUICHZWXQKK-UHFFFAOYSA-N 646.706 9.113 50 1 KKGF CCCCCCCCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145629 UIDXLKPLCURKOM-UBPMLGPKSA-N 603.888 9.110 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccc(F)cc5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916449 RFSRFCPAMFYPMM-FOKFESALSA-N 502.630 6.019 50 1 KKGF Cc1cc(C2=CC[C@H](OC(F)(F)[C@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103203323 YZLFXWZFWSWTFM-ZSEKCTLFSA-N 520.379 7.391 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@@H]5C[C@H]6CCC[C@@]6(C[C@H](O)CO)C[C@@H]5[C@@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 150349098 WQPYSWMXWWVIAD-XXKAFRFKSA-N 971.275 8.102 50 1 KKGF biogenic,in-vitro C=C(OO)N(Cc1c(C)c([C@]2(c3cc(C(C)C)c(O)c(CN(CC(=O)O)CC(=O)O)c3C)OC(=O)c3ccccc32)cc(C(C)C)c1O)C(=C)OO 150659948 PKQSKZVHFDBFQB-LHEWISCISA-N 720.772 6.119 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CSCCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253684205 KMZJLUPIQIDZHL-HPIJWAFQSA-N 682.898 6.010 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299823698 SMTKDYGXTCYGPV-WRLYUFQISA-N 957.332 7.746 50 1 KKGF O=C(Nc1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 587244761 UATIZNCHRVPEOZ-UHFFFAOYSA-N 650.467 9.935 50 1 KKGF O=C(Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)OCc1ccccc1 587320717 HFYUJSGQQWYKMO-BHBYDHKZSA-N 576.418 6.929 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1Br 587571180 ZKVUKVVGHOENHO-RXVVDRJESA-N 508.137 5.546 50 1 KKGF C[C@H](Br)[C@@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587671303 QKVSAZZSGVHCPG-DDBGAENHSA-N 506.051 5.912 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)NC4(CC4)Cc4ccc(Br)cc43)c[nH]c12 961314856 AXUCMVPVXHDQLZ-XTEPFMGCSA-N 505.887 7.395 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1ccc2ccccc2c1 961744576 AAXAMQQRTJPBGP-MUUNZHRXSA-N 507.472 6.630 50 1 KKGF Nc1c(C(=O)N/N=C/c2ccc(Br)cc2)oc2nc(-c3ccccc3)cc(C(F)(F)F)c12 1857637279 RDTZDPYPXDQRHA-IPBVOBEMSA-N 503.278 5.622 50 1 KKGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356360466 GTSKBENVCHLGSC-OCWRWWQOSA-N 501.806 6.613 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@H]1CCC[C@H](C)C1 2356366097 AAOVQVCDKSYKLO-GQHAUUIMSA-N 808.113 6.381 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCC[C@H]1Cc1ccccc1)CC[C@@H](O)CC(=O)CC2 2356506678 NJJUOMCKEUTSBQ-WDZIGHJISA-N 907.212 6.696 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CC[C@@H](C)C(C=O)=CC[C@@H](C)CC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C 2356551310 ZDANNBYRXLXFSO-JFTRAHOVSA-N 622.931 10.061 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](O[C@H]2OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@H]1O[Si](C)(C)C 2356597421 HBCHLHOVNYPIHS-MMOZCGLHSA-N 974.724 9.918 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C=O)C2CCCCC2)CC[C@@]3(C)O)COCC#CCC(C)=CCC1 2356667215 UGSPJQXPMNTZJI-GFOMUJMJSA-N 590.845 6.942 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 2356768833 SEBSEOICOUMMTK-ALWNPCJMSA-N 795.081 5.472 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NCCCCO)c1cccc(O)c1)CC(=O)CC2 2356777543 YEHKBWHSWNNGLG-PLGUFQJHSA-N 691.912 8.035 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@@H](CC4(c5ccccc5)CCCCC4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@@H]5C[C@H](O)CC[C@]54C)[C@@H]3CC[C@H]21 2356834157 JZYITSDZGPYFIX-DJWDUZQHSA-N 798.256 10.636 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSSC[C@@H]1O2)C5)CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356853020 QVQGKKVYYUSUES-RLOSOIPPSA-N 902.148 7.802 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356873662 YHQLBLRPISMXOM-DPNVQXPJSA-N 905.285 8.310 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356874135 YTABMZQVCWOQAH-ZMRLEGJPSA-N 899.189 6.577 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@]1(CN3C=CNC3)CCNc3ncc2cc31 2356874644 YXPGSBJRZKZRBP-KZQRATEZSA-N 618.825 5.954 50 1 KKGF COP(=O)(OCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)OCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 49938513 OEOPTWVJFHQANI-XVCDAZLWSA-N 700.803 7.055 50 1 KKGF C[C@]12CCSSC[C@]34C[C@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549220 JGTPVOIBCYVSEC-QYQCXGTFSA-N 718.089 5.754 50 1 KKGF biogenic,in-vitro COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2cn3ccsc3n2)cc1)C(C)(C)C 95541634 HRPWSVHEQTVQBL-XTCMURJCSA-N 752.938 5.195 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc3o[nH]c(=O)c5cccc4c35)cc2c1)c1cc2ccccc2[nH]1 95602619 UNXWGRKEOHZJQA-SFHVURJKSA-N 576.012 6.472 50 1 KKGF CC(C)[Si](OC/C(=C/COC(C)(C)C)[C@H]1CC=C(C(=O)c2ccccc2N2CN(C)C(=O)N(C)C2)C1)(C(C)C)C(C)C 195477962 LXIJTOMKRJHRCM-QSRSGOJESA-N 597.917 7.858 50 1 KKGF C[C@@H]1CC[C@H]2[C@](CCCCc3ccccc3)(C[C@@H]3C(=O)O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253646623 PQWICQFZDCPUIL-NWBMZTTPSA-N 680.835 6.937 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587046718 KOYDBNLTYPYVGO-DEOSSOPVSA-N 638.486 9.915 50 1 KKGF N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1F 587143719 FBOFJLOCZPWHCT-LBPRGKRZSA-N 539.137 7.127 50 1 KKGF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1 587144995 PVTKAXFQGJQYEB-UHFFFAOYSA-N 551.306 8.463 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1 587327055 OFTFLPUBRNFZFI-BVRKHOPBSA-N 518.028 7.555 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2OC(F)(F)F)[C@H]1c1ccc(F)cc1 587328649 JTPCKOYOZQIXKZ-UNMCSNQZSA-N 511.265 6.079 50 1 KKGF Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 587369428 HSKVTDCJROKTKC-AHKZPQOWSA-N 525.985 5.371 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587541462 BRCVZNTYEGMNBM-VAVYLYDRSA-N 511.917 5.019 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 587671947 BWFSFFCFMVPWHT-PWECECGKSA-N 558.245 5.562 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 587715424 BVMGAANPBUIABJ-NPMABZOXSA-N 545.802 6.911 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2I)N1 587737695 GLVHTQYFBOSMIV-XYZCENFISA-N 617.920 6.128 50 1 KKGF C[Si](C)(C)C#C[C@]1(CBr)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079321 JTTHOUXDWKYCSV-UXMGRTHOSA-N 774.677 8.114 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1sccc1Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963817518 OEOGNKINEKCEDS-AREMUKBSSA-N 618.347 5.915 50 1 KKGF C[C@](O)(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857579449 LXUSLXWOOVBKFS-INIZCTEOSA-N 513.428 5.526 50 1 KKGF COC(=O)[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857593684 BOKBMWKMSOULJF-JMHLFSDYSA-N 616.840 5.255 50 1 KKGF CCCCCCCCCCCCCCCCO[C@@H](CO[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)OC 1857750101 IZQJGVSAHONSJR-SVPANFMESA-N 762.901 6.671 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(Br)cc1 1857754703 MZNPJRKNDIAOLW-YPWBNMQWSA-N 720.705 8.319 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356294362 TWUMIZGGIVWYSZ-WVWNRJNMSA-N 851.193 7.390 50 1 KKGF C[C@H]1CC[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356360463 GTSKBENVCHLGSC-GCANIMRHSA-N 501.806 6.613 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)[C@@H]6CNC(=O)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356372204 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CC(C)Cc1cccc([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@H]24)c1 2356666415 LTPNJETVPNYTTJ-OUQPDEFWSA-N 680.037 7.109 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356696877 XWZFZHPAQIJHEA-CCHMIPRUSA-N 877.135 7.280 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356731781 YTMNUZVMZUHFMD-ITBRTXNRSA-N 889.282 9.971 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(CCC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356735651 ATLHDMJMMBWTEW-VEXZABHESA-N 912.265 8.232 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356839194 LRSKWIVXIAITJF-UXHZOGNTSA-N 774.018 6.351 50 1 KKGF COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5c([N+](=O)[O-])ncn5C)c5ccccc5c43)[nH]c2c(OC)c1OC 27644898 HDDDFDGBRMYSIN-LJQANCHMSA-N 649.060 5.720 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cccc(C(=O)N2CCC(N3CCCCC3)CC2)c1 66103987 JADHQMKANHHFIC-UHFFFAOYSA-N 546.543 5.705 50 1 KKGF CC[C@H](O)[C@@H]1SSC[C@H]2CC3=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC3=O)[C@@]5(C)CCSSC[C@@]3(C2)N=C(N)NC[C@H]3Cc2cc1ccc2CO 85549182 LSMASZNWKPBFRM-IQUDSJDGSA-N 776.169 6.066 50 1 KKGF biogenic,in-vitro N#CC1=C(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 102086174 CVKSFUZQIVSUIF-QLWXXVCSSA-N 629.592 7.090 50 1 KKGF C=C1/C=C/C=C(\[C@H]2[C@@H]3CCC[C@@]4(O)CC/C(=C(/C)C=O)[C@@H](CCCO)[C@]4(C3)[C@@H]2O)COCC#CC/C(C)=C/CC1 103525621 ODENFNHLXBCPNW-ZBOIBSRQSA-N 548.764 5.772 50 1 KKGF biogenic,in-vitro C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(C(=O)OC)C[C@H](C)[C@H](OOCc4ccccc4)[C@@H]3[C@H]1OOCC)C2(C)C 103541367 SDTJJXRTWBQJRR-CVIQVFGLSA-N 526.670 5.793 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@@H]2[C@@H](C[C@@]3(Cc4ccc(F)cc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169372844 XKKWJFZWAWKYNA-OOURDDBMSA-N 656.744 5.906 50 1 KKGF Cc1ccc(-n2ccnc2SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1 586967145 XIVOLSQNVYXTST-UHFFFAOYSA-N 539.393 8.078 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)Br)[nH]c21 587008148 IHWMXSNGYBCSRK-SFHVURJKSA-N 589.534 7.279 50 1 KKGF Cc1cc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c2c(C)nn(Cc3ccccc3Cl)c2n1 587058105 DEEDEWXHQPSQRI-UHFFFAOYSA-N 513.923 7.951 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(N)(=O)=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189650 DBIBULIZSDKAEH-UATTUGJOSA-N 640.847 5.242 50 1 KKGF C[C@H](Br)[C@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587670946 MVDFLUQTYLBDBU-LIBAHTEVSA-N 506.051 5.912 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 587684066 KDWCSJLQPGJABG-RMKBEBRYSA-N 533.268 6.598 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 587684361 WCAHVDVDMNUCLI-NPMABZOXSA-N 540.702 6.775 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 587740341 JMSWCHLTJFZDCV-BJLXPSRBSA-N 557.467 6.517 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc2c(Br)c1O 587896875 QYFWHBHLZOJIRK-UHFFFAOYSA-N 866.165 9.008 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cnc4cc(Br)ccc4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587941103 RMXZNXXIIUEYKO-NZVIUALKSA-N 571.468 6.080 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)N(C)[C@@H](C)C2 962574331 UJZXCPBPZPIERQ-AMXDTQDGSA-N 522.333 5.422 50 1 KKGF N#Cc1ccc([C@@]2(CCCCCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962576863 YLXZVOJVZXKMEZ-NQVJXQQZSA-N 592.095 6.866 50 1 KKGF CC1=C(CCCl)C(=O)N2CCC[C@@]3(c4ccccc4C[C@@H](C(=O)O)N3C(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2N1 963101732 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COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C[C@@H](CCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 1857611393 XSJLCRYWNKAUOD-UFQKTMLCSA-N 818.156 11.829 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C[C@H]4SSC5(CCCCC5)[C@@H](CC[C@H](C)CCC[C@H](O)[C@@]4(O1)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@H]4[C@@]3(O)[C@H]1O)NCCO2 2356356691 CJTHENOBPRIXHS-WWMMTJKYSA-N 886.139 5.105 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(C[C@@H]6CC[C@H](NC)[C@@H]6C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356363959 RSVRTDFORPJVEN-OPDPXPEBSA-N 971.289 5.411 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356364707 WVDOCPJINAFKLC-NKFWRKCNSA-N 796.058 5.352 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1 2356366419 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CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@@]35C 2356708885 GYGPHXHVVMDRKV-AHQHDZMSSA-N 902.273 8.335 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356739726 XZVNDTIDGQKYLY-BMRKUKOPSA-N 717.004 5.395 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@@]1(C)C[C@H]3CNC(=N)N 2356743872 IVMHGAXIAQTKEC-VRYUHTRGSA-N 881.307 6.639 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@@H](N)c4ccc5c(c41)CC1=C4CN(C=C4N=C1)[C@@H](O3)[C@@H](C#C[C@H]5O)C1(C#CO2)CCCC1 2356813555 CHZWNXVJSBOCSO-BGMXHINISA-N 805.079 7.125 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356863573 VGZPOLCBYXXNEH-USEWWEOVSA-N 815.071 6.045 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H](c2cc(O)c(Oc3cccc(O)c3)c(OC)c2)CSSC[C@H]1C1=CCN=C1 2356865587 VKMVBSAWDBNVAM-FNWWCKPFSA-N 613.798 7.092 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1CCC3=C4C=C(NCSSC[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@@]6(CO)C=C[C@H]([C@@]41C2)[C@@](O)([C@@H]5O)[C@@H]6O)NC3 2356867559 WSZSTPHGWUMDFW-HQSSRJIHSA-N 977.211 5.919 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2c1 72173577 JAOONZCWQUZDHK-UHFFFAOYSA-N 636.971 7.929 50 1 KKGF CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6c[cH-]cn6)c6ccnc(N)c6CSSC[C@H](CO)[C@H]5O)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](O)CCCC1 85631676 MXZASPRUSURTOT-WGCPOSNFSA-N 773.054 6.429 50 1 KKGF biogenic,in-vitro COc1ccc(C(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC(C=O)=C(n6cccn6)[C@@]5(C)CC[C@@H]43)C2)cc1 96933837 SMFQXPFQPQRVHL-DIUBKPNJSA-N 500.639 6.100 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccc(O)cc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 102921314 XCJINWZVZXFXCJ-MUYOADHOSA-N 521.429 6.285 50 1 KKGF COCCCCNCc1c(O)c2c(c3c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 150343159 DFMXBCJOWKKWFH-JJGQWGCLSA-N 999.309 9.478 50 1 KKGF biogenic,in-vitro O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150587032 BJFDRGBCFHJLKG-CWTKIQHKSA-N 765.322 10.138 50 1 KKGF COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc1OC 299830421 ILGFIUZJISYLNI-HHHXNRCGSA-N 554.643 6.226 50 1 KKGF COC(C)(C)[C@@H](Br)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 586971146 MVTASSRZPCRPSJ-SANMLTNESA-N 621.440 5.843 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 587370176 VCCVZDJIYCVPMD-BDYUSTAISA-N 574.468 5.355 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2scc(Br)c2Br)[C@H]1c1ccc(F)cc1 587376144 OUEQGRWXKYGNPV-OXJNMPFZSA-N 591.090 6.767 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)CC2=O 587495053 NBEAQKQZSVESHQ-WXTAPIANSA-N 513.015 5.736 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](C)Br)N1 587670329 KCUIAMWWWCYOKE-YRUZYCQGSA-N 506.051 5.912 50 1 KKGF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]1)(C3)C2 587950134 JYEUAMHIWXNKBG-ORMMXULVSA-N 515.342 7.136 50 1 KKGF Cc1cc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 963067945 PFVXGPQGJNKLGL-IUEKTVKYSA-N 680.551 7.727 50 1 KKGF CC(C)C[C@]1([C@@H](Br)[C@H](Br)c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963106356 LAYKSJLUKGJXPG-HKBOAZHASA-N 520.136 7.280 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2[C@@]2(CCC3)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963217150 ORGNLWJJIDJOKZ-QUUITYPFSA-N 821.799 8.119 50 1 KKGF COC(=O)[C@@H](N)CCC(=O)Nc1ccc(COC2=C(C#N)[C@H](O)[C@]3(C)C4=CC(=O)[C@@H]5[C@@H]6CC(C)(C)CC[C@]6(C(=O)OC)CC[C@@]5(C)[C@]4(C)CC[C@H]3C2(C)C)cc1 1772651028 SYVXQUYBUNEFEV-DKZGOWMHSA-N 771.996 6.934 50 1 KKGF O=C(CCl)Nc1ccc(-n2nc(OCCOCc3ccccc3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857633779 YUJKXQGXWXFIMD-UHFFFAOYSA-N 531.827 6.014 50 1 KKGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@]1([C@@H]1c2ccccc2-c2nc4cc(C)c(C)cc4nc21)CC3 1857639040 GYJHRAVHEFCSIX-SYBRLPANSA-N 507.597 5.941 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356358848 YNSRVGHCCFJBII-OFJZHMIZSA-N 934.279 5.353 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1cc[nH]c(=N)c1CSS2 2356379852 JTCKOCDJPKWDEH-XSUCMPINSA-N 686.812 5.248 50 1 KKGF CC1(C)OC(=O)C=CC2=C1CCC1=C(CC[C@]3(C)[C@H]([C@@H]4C[C@H]5C[C@H]4OC(=O)[C@]5(C)O)CC[C@@]13C)[C@H]2OO 2356537035 WYQHRRVAISWYHU-KVKCFTPFSA-N 512.643 5.042 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356716057 ANJXDKKSXVEUDY-OLIJZNPSSA-N 819.140 6.885 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c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c6ccccc6)CC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356775562 NGMZJWKQBGPKHP-ABBAUNLMSA-N 937.362 11.120 50 1 KKGF CCC1=C(C=O)c2cc3[nH]c(c(C)c4nc(c5c6[nH]c(cc1n2)c(CC)c6C(=O)C5)[C@H](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)[C@@H]4C)c(C)c3[C@@H](C)O 2356812216 BIPZDMSBLSMZRQ-RJISLUCMSA-N 799.069 11.436 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@@]1(C)O[C@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4N=CC=C4C3)[nH]c(=N)c1CSS2 2356838617 MBPNUQLSPWWVDJ-SEWRWDASSA-N 804.951 5.916 50 1 KKGF COc1cc(C(=O)NCCCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC 14953169 PRXVIQMGMOKJKT-UHFFFAOYSA-N 548.684 5.353 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C(=O)NCCc1ccccn1 28563030 KYUQMTCUNIFCIQ-VJGNERBWSA-N 677.731 5.044 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 36176455 CNSJDSROLZSDCN-ACHIHNKUSA-N 626.713 6.195 50 1 KKGF CCCCCCCCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCCCCCCCC 42784500 PBBMUBRYBYZLDF-UHFFFAOYSA-N 584.936 10.227 50 1 KKGF COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@H]2CCC(C(C)C)=C[C@@H]2O3)c2ncccc2c1 42891905 OZMCBLMXTZPNTB-IHQAFZGXSA-N 509.691 6.144 50 1 KKGF ClCCN(CCCl)CCCCOc1cccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 49615537 FCPLNKZUTBZKTB-UHFFFAOYSA-N 666.521 8.229 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@@H](C)CC[C@@H]3Cc4c(c(OCCO)cc5c4[C@H]1[C@@H](O)[C@H]2O5)-c1ccc(O)cc13 85567757 REDIEUKDJJCTFM-SXYJZYTFSA-N 676.853 6.501 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNCCc1ccccc1)CC(=O)CC2 85597442 HXGNZGYOHWNLLG-SSEXGKCCSA-N 631.860 8.059 50 1 KKGF biogenic,in-vitro COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C[C@@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSS[C@@H]7CC[C@H](CO)C(=C57)C6)[C@@H]4[C@H]2O)O3)c1O 150342825 DMIOJGCXYNMWOP-RKBDWOBBSA-N 953.276 8.913 50 1 KKGF biogenic,in-vitro Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2ccc(O)cc2)C2=C1C(=O)CC(C)(C)C2 169310089 FPKFCXHZIBLCLY-HHHXNRCGSA-N 531.620 5.013 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C)C(COO)=CC[C@]4(C)CC[C@]23C)C1(C)C 200009177 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O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](c2ccc(F)cc2)([C@@H](Br)[C@H](Br)c2ccc(F)cc2)N1 962698652 NNTBTNPVCHAQQS-HYVLGVRCSA-N 637.212 6.865 50 1 KKGF Cc1cc([C@]2(CCCCCCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)ccc1Br 962962520 VWWVSCPJEVHNOQ-VWLOTQADSA-N 544.883 7.471 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CCCCl)c3cccs3)c(O)c2C(=O)O1 962977639 ZTZZDGCEGAWUGS-CIGXMFOWSA-N 574.482 5.623 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CBr)(c2cccnc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963044428 WOSRBGIPWKZMSH-NEEKEDPPSA-N 605.435 6.259 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(OC(F)F)cc1)([C@H](Cl)C(=O)c1ccc(OC(F)F)cc1)N(C(=O)c1ccccc1N)CC2 963142483 PSJGANBPAXTORZ-HKFHRXRESA-N 673.059 6.921 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2ccc(-n3cc(Br)cn3)cc2)N1 963166314 WGVGLXROGWCJBV-ZGAWMTGXSA-N 763.534 7.554 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CBr)(c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)N1C(C)=O 963316866 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C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356370949 UWGZOHRAFVCVDF-XCMUZFPDSA-N 831.148 5.349 50 1 KKGF CC(=O)O[C@@H]1CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3C[C@H]3OO[C@@]2(O3)C1(C)C 2356546170 BVVLDPHSPCYJTD-MABFSBBQSA-N 516.763 7.814 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC[C@@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356686282 ZEKFLLPOZYIVOM-PJVKZBBJSA-N 597.799 7.871 50 1 KKGF CCCCC[C@@H]1[C@H]2CC(=O)N1Cc1cc(cc(OC)c1O)CC[C@H](OC(C)=O)C[C@@H](O)CCCCCCSSC[C@H](NC(=N)N)C2 2356727278 LTEXJOXQAWZFCM-DJLMICKFSA-N 680.978 5.901 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@@H]2CSS[C@@H](CCO)[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356770043 VIOJPXDLVGWXPW-UPDXQEMOSA-N 725.926 6.914 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]6O)[C@@]54C 2356779491 UEXRYAPJVXUKIG-LPPQCSCWSA-N 920.244 6.092 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H](C2(N3C=CNC3)CCCCC2)SSC1 2356837623 LLLKZBXJCHXJBV-LNFMZTNWSA-N 662.922 7.495 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356869282 XKJIHESQQBIMNO-SPGYPSSSSA-N 571.849 5.589 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356874134 YTABMZQVCWOQAH-OVOBQCFHSA-N 899.189 6.577 50 1 KKGF CCCCC1(CCCC)NS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2cccc(NC(=O)CCCCBr)c2)[C@H]1O 27206927 OBLAERGBIUYKNO-FQLXRVMXSA-N 622.670 6.160 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](O)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 44247345 YQHVZAWAASWABR-XVBJYKFMSA-N 537.505 5.338 50 1 KKGF COc1cc(N2C(N)=C(C#N)[C@H](c3c(OC)ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 49694623 FDOOGXOOASUMCP-MUUNZHRXSA-N 539.632 5.815 50 1 KKGF CCCN(CCC)C(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CCCCC1)OO5 49946917 CTSDQCDRUZHDPT-BRJZTWLPSA-N 645.922 8.519 50 1 KKGF COC[C@@]1([C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3 64447872 OBLPDTZNVWRUGP-XVENHYEOSA-N 592.733 5.659 50 1 KKGF COc1ccc(/C=C/C(=N/NC(=O)N/N=C(/C=C/c2ccc(OC)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1 82178359 IRRPOXZYEGKJIT-ZFLRLHDBSA-N 656.916 7.466 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 85544602 YWMBPTVJKPWBEE-DERJUBIGSA-N 564.807 6.162 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@@H]4O[C@@]2(C)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 103104669 RPVOJEKMAVTVFM-MUPIGRHNSA-N 550.689 5.216 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(C)s2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118932878 NSWSWPQSYVIFLJ-DJLFOVHQSA-N 593.569 6.217 50 1 KKGF C[C@H]1CC[C@H]2[C@H](CSCCCCCSC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169372616 IYYRWMHGTXIFHA-JZDVRGGISA-N 696.925 6.400 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(COc4cccc(Cl)c4Cl)o3)[nH]c2c1 587057889 WKFCYTDWPQXTME-UHFFFAOYSA-N 564.157 9.129 50 1 KKGF Fc1ccc(Oc2ccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cn2)c(Br)c1 587161358 QGJLYKWKTNICSI-UHFFFAOYSA-N 510.257 7.976 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)[C@H]1c1ccc(F)cc1 587369212 FKZXWOHCIFGYPV-BDYUSTAISA-N 525.985 5.453 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1 587671505 SMLUESUVVJFZQB-ZNZBMKLDSA-N 517.236 6.012 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685496 QXFFCUSFIJAHNP-YRBHHZHLSA-N 716.092 5.741 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587685680 ARWYBDPZTMPFDR-ZWYHUYAOSA-N 510.278 7.054 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 587709525 AWALDTQHJQCWHQ-XLFHBGCDSA-N 515.570 6.433 50 1 KKGF Cc1ccc([C@@]2(CCCCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1 963071093 VVXBKIXFCUUJBC-MOMDTQCHSA-N 527.061 5.736 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(Cl)cc(S(F)(F)(F)(F)F)c2)N1 963181348 NBTFXKAJENMYCJ-DOMZBBRYSA-N 516.237 7.358 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@@H]21 1772574960 HNHWUYVELGHTPK-KXQOOQHDSA-N 705.727 7.435 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(C(=S)SCc4ccc(Br)cc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857547978 TVNPWQRKLLPRLU-DYNDHCHKSA-N 597.641 5.793 50 1 KKGF CC(C)C[C@H](NC(=O)Cc1ccc2oc(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(CC(=O)N[C@@H](CC(C)C)B(O)O)ccc6o5)cc4F)c(F)c3)nc2c1)B(O)O 1857652417 YZXBRYCGIUBBGN-ZPGRZCPFSA-N 824.456 5.396 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@@H](O)CSS2)c1ccc(NC[C@H](C)O)c(CO)c1 2356365567 OBZIPZOCXGFAGG-ZZTUCJBZSA-N 762.991 7.004 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356367985 HTDCFRQRHAKMBM-ULKCBTEASA-N 827.160 6.460 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 2356468286 XCXYVTYOGSYQQL-AMBSARJPSA-N 584.870 6.382 50 1 KKGF CC(C=CC1=C(C)CC[C@H](C)C1(C)C)=C[C@@H]1C[C@@]2([C@@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@H](O)O1 2356583483 VKLHLMJHQATABJ-LYHIEREVSA-N 500.720 5.804 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CC[C@H](Cl)C(C)(C)Br)[C@H](Br)CC[C@@]2(C)[C@@H]1Cc1cc(Br)cc(Br)c1O 2356596540 NFMVWIXBGOEENC-VDUYJKDFSA-N 718.634 10.173 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@@H]2O)cc(OC2CCCC2)c1O 2356600196 DDHQCOKWAAIDPK-FFKPSUMMSA-N 724.938 7.419 50 1 KKGF CO[C@]1(C)[C@@H]2C[C@@H]2[C@]2(C)CC[C@H](Br)[C@](C)(O)CC[C@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]21 2356615283 CLIROQKLHXWUFL-ZKAUWQNTSA-N 616.431 6.399 50 1 KKGF COC(=O)[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 2356638875 UXDZXRKJSZVQHR-MFOYZUMHSA-N 516.719 6.135 50 1 KKGF CNCc1ccc(CO)c([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@@H](CCCO)[C@@H](CO)C5)c1 2356716239 HNNIKRJKJLQIAQ-ARUWZTJYSA-N 697.024 5.265 50 1 KKGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356772600 CRPWEBPOIQAQIA-QODPMRKASA-N 616.836 7.273 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@@](CCOC)(C2CCCCC2)NCC2=C[C@H]1CCC2 2356775371 MEVQWYPZSYYZCY-QXZALQAGSA-N 925.305 7.300 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356778028 KKFCKVHXFPWSKN-TXDWDMDSSA-N 803.138 6.438 50 1 KKGF CNc1ccc(Cl)cc1C(=O)O[C@@]1(C)[C@H]2CC[C@@]3(C)[C@@H](C(C=O)=CO)[C@@H](C)[C@@H](OC)C[C@H]3[C@@]2(C)CC[C@H]1O 2356801335 RMVXUOLEDUZPCE-SOWAWYIXSA-N 548.120 5.803 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@]1(C)O[C@@H]1CCC1=C[C@@H](NC(N)=C1)C1=C[C@H](Cn3cc4cc[nH]c4c3)NC(N)=C1CSS2 2356829420 IYFAXPIGOVAGTL-WARPEBQVSA-N 808.983 5.194 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)OCC(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@@H]2C2=CCN=C2)c2ccccc21 2356845273 ODBZYCHOAWDVGN-KNYZQSNRSA-N 897.105 5.998 50 1 KKGF CCCCCC[C@@H](CCl)c1sc(-c2csc(CCNC(=O)OC(C)(C)C)n2)nc1C(=O)OC 6006478 XKVRFQGJQJYOLV-HNNXBMFYSA-N 516.129 6.413 50 1 KKGF Br[C@@H](c1ccccc1)[C@H](Br)/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1 73242177 JRXLDARVHCBKOA-HMKRNGOWSA-N 537.259 6.503 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H]([C@@H](NC(=O)[C@@H]2C[C@@H](CCC)CN2C)[C@H](C)Cl)O[C@@H]1SC 82117893 OYSKUZDIHNKWLV-LFJYGGSMSA-N 663.406 6.422 50 1 KKGF in-man Cc1ccc([P+](Cc2ccc(Cc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccc(C)cc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1 84703934 YHYHGCJUYAQSTR-UHFFFAOYSA-N 746.915 10.882 50 1 KKGF C/N=C1\NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOC4CCCCC4)C3)c2)N1 85596942 HRCPUEHXNPZSSC-BPEGJJAKSA-N 795.125 8.410 50 1 KKGF biogenic,in-vitro NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 95610444 JPTZDOYPNCQOTF-SIWBJXOXSA-N 816.679 6.588 50 1 KKGF CC[C@H](C)[C@@H](NC(=O)c1nc(-c2nc(C(CBr)(OC)OC)oc2C)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)c(C)o1)C(C)C 150546293 YODRICZSRPGIDX-QZNVCQCUSA-N 955.930 6.689 50 1 KKGF N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C\c2ccc(O)c(Br)c2)c1 150605170 KIIKHOORHJGGNM-KGIZCEIGSA-N 636.300 5.070 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(\C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C/C=C\C1=O)[S@@](=O)SC(=O)[C@]2(C)O 169306318 JFEMHRLBYMSHKB-HKJPFOGQSA-N 749.074 8.409 50 1 KKGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3sc([CH-]c4cccc([N+](=O)[O-])c4)c(-c4cc(F)c(Cl)cc4Cl)n[n+]2-3)s1 169720173 QXJGNDDYFCSGJE-UHFFFAOYSA-N 685.977 7.842 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 238772413 GZXFTIBVEUGZSC-QZUHWTNASA-N 601.077 10.386 50 1 KKGF CC1=C(/C=C/C(C)=C/[C@H]2C[C@@]3([C@H](O)O2)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]3(C)O)C(C)(C)[C@@H](C)CC1 238778395 VKLHLMJHQATABJ-KRVAJWFPSA-N 500.720 5.804 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 253665216 ACRMTHSZHIGDGF-FEZYQJKWSA-N 655.380 9.155 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 299825988 MNIBGMCDNUOAKK-VXKWHMMOSA-N 602.740 5.175 50 1 KKGF CCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(CC)CC1)OO2 299847039 DTSHGLFOKHBUIU-FLPKIGFPSA-N 675.904 7.184 50 1 KKGF NNC(=O)c1ccc2nc(Cc3cccc(NC(=O)OCC4c5ccccc5-c5ccccc54)c3)[nH]c2c1 587245038 VXFIBXRYELCHGU-UHFFFAOYSA-N 503.562 5.118 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319130 AGZZBZAJBMGEDK-XMJKUIDKSA-N 510.359 5.454 50 1 KKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1C 587324924 AYCBDHZIGCXSDO-JDXGNMNLSA-N 504.001 7.049 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(Br)c1Cl 587555018 KGIPQMYJCOERLA-UWJYYQICSA-N 542.582 6.199 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)N1 587733248 LBOVYUQONQFQDY-AIYMMFEQSA-N 618.129 7.544 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 587839795 ILFWOHUYUXKWEI-WAIKUNEKSA-N 574.354 5.326 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587840102 JLCPNZXGDIHHAW-QFMFQJCFSA-N 565.936 5.455 50 1 KKGF BrC[C@@]1(c2cccc(OCc3ccccc3)c2)NC2(CC2)Cc2ccc(Br)cc21 961614940 ONMACQQAQQGYPF-VWLOTQADSA-N 513.273 6.345 50 1 KKGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962576480 UKJQDDSUZXUQAM-NCXRXOCASA-N 637.490 5.268 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@@]2(CCC3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962632640 LLDOUXLVRAVDQV-LMSBVETCSA-N 564.733 7.383 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cc(C)c(OC)c(C)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962669365 DLDODKULBVFVPD-NDEPHWFRSA-N 592.452 6.685 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674112 MYKZNIYADWGYJQ-JJCDCTGGSA-N 587.038 6.201 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@@H](C(=O)C(F)(F)F)Cc2ccccc23)C1 962775366 ZMOBZEPUHFCKHK-VPPOJBDWSA-N 655.539 6.837 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 962921326 GUPKQRPFFAOWMR-PVTPYKNESA-N 573.989 5.181 50 1 KKGF N#CC1=COc2ccccc2[C@@]12c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963100226 USMDWCHRYLFOEE-UVNLRBHVSA-N 560.653 7.033 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963580686 LJHCGWSPGNQEDR-HPRPSMSASA-N 683.086 6.760 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356469651 VTEIWAHVQKZCHP-TYOPABNESA-N 907.246 7.153 50 1 KKGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]3CC[C@@]21C 2356549172 UCSGOFGFMZNLMQ-MTRQEJDJSA-N 500.928 10.108 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl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c2cccc(c2)C[C@H](C)N[C@H](O)C2=C[C@H]1CCC2 2356721336 AYRRJTYHHGZBLF-SRRIJLHCSA-N 741.026 5.273 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCC3CCC(CC3)[C@@H](CC1)[C@@H](O)C2 2356779467 SKPGJXQIZQITBK-GSFMDOFJSA-N 991.418 11.431 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356844291 NTGMHTYJQPKJDU-FRUPOLOSSA-N 877.231 7.433 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](O)C[C@@H]([C@H](CO)Cc4ccccc4)C#C[C@@H]3C=C12 2356856346 RZXFDRXWIPWZPC-FHJMRJRSSA-N 926.255 5.747 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCCC[C@H]3[C@H]1OC4=O 2356861456 UJFBSWKXEYVEHG-OALPECPVSA-N 820.994 6.703 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(N(C)C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC 26503001 GQHHWXOKRUNPLC-OAQYLSRUSA-N 659.095 7.011 50 1 KKGF CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1cc(Br)c(Br)s1 26830797 FUGAUMFXDDXKOJ-GOSISDBHSA-N 722.344 5.975 50 1 KKGF CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1NC(=O)CBr 28378640 XDPJVWVJABQYOI-QHCPKHFHSA-N 647.441 6.556 50 1 KKGF C[C@@H](NC(=O)c1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938295 LERQMDBSXNYVEM-BWFNHWMHSA-N 705.145 7.391 50 1 KKGF C=C(C(=O)[C@H](OC(=O)CCl)[C@@H](C)[C@H]1[C@@H](OC(C)=O)C[C@@]2(C)[C@@H]3CC[C@H]4[C@H](C)C(=O)C=C[C@@]45C[C@@]35CC[C@]12C)[C@@H](C)COC(C)=O 82139753 BGQAAAGFALOXPP-VGZPERKLSA-N 645.233 6.033 50 1 KKGF COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cccc(/C=C(\C#N)C(=O)N[C@@H](C)c3ccc(OC)cc3)c2)cc1 103262716 ZPLZYZWHELTILS-DXWBQHEBSA-N 534.616 5.273 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 137370324 DFPBBOCDGYBNBR-AZVVYKQTSA-N 550.689 5.419 50 1 KKGF CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(-c4nnn(-c5ccc(N=C=S)cc5)c4CCCCc4cn(-c5ccc(N=C=S)cc5)nn4)nc31)[C@H](O)[C@@H]2O 150549218 JJHMVUVXWHHHSU-WJVBKUEQSA-N 885.440 5.983 50 1 KKGF Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3nc4cccnc4[nH]3)c(SSc3cc(Cl)c(C(=O)Nc4ccc(C)cc4)cc3S(=O)(=O)Nc3nc4cccnc4[nH]3)cc2Cl)cc1 150588673 AIQNPBYJKYSKMY-UHFFFAOYSA-N 945.918 9.058 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#Cc3ccc(C#CCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)s3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309810 BRQITTUCMVZAAI-DCNMCLFCSA-N 724.913 6.900 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299841557 BVRIJFRDMCDGFG-PDZPWUTRSA-N 937.049 5.464 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@]5(C)[C@H]([C@H](C)CCC(=O)OC)CC[C@H]5[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 299846138 UTKPRIKDCHAYJZ-COGWOVSHSA-N 662.861 7.221 50 1 KKGF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587044690 OTENCGGLTLPFCA-UHFFFAOYSA-N 528.124 7.974 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6cccc7c6c(c5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)CC7 587209037 GMKWQVJFFBVQEW-UFODPHHPSA-N 564.553 7.529 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 587373539 LWZVHHXKFZBQIR-XMKRZGHLSA-N 632.197 8.495 50 1 KKGF COc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] 587672966 JGIKZVOLTIFZNM-HOGDKLEQSA-N 536.623 5.640 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587829228 BFKWUEXZEBOQOQ-QOGNCXTKSA-N 981.047 7.548 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)sc2n1 587858195 PETSYBBMXGCDLG-VERVWZFWSA-N 510.860 5.790 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1CC1CCCCC1 618017032 AAOGWZBENQLWPL-PMACEKPBSA-N 562.629 5.417 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(c3ccccc3C2=O)c2ccsc2CCN1Cc1cccn1C 962370752 GTGVHDGTXWMICY-SFNQZPIRSA-N 550.511 6.200 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(C(C#N)=COc3cc(Cl)ccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671024 HWJYPSAGKQAHCK-MHZLTWQESA-N 540.925 6.118 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1c([N+](=O)[O-])cccc1C(F)(F)F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962706930 MTFMRZMUCUDYSY-VWLOTQADSA-N 647.366 6.987 50 1 KKGF CC[C@H](Cl)CCn1cc([C@@]2(C3C(C)(C)C3(C)C)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c2ccccc21 963796194 NYVWYSDUQRYWCS-MEACABTOSA-N 680.289 8.741 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3ccc(C(F)(F)F)cn3)nc(Cl)nc21 963918631 ZXPFEQDLCYNMRS-QHCPKHFHSA-N 581.824 5.881 50 1 KKGF COc1ccc(CNC(=O)c2cnc3c(SSc4cccc5cc(C(=O)NCc6ccc(OC)cc6)cnc45)cccc3c2)cc1 1772652589 YYXAKFRTGXTCTG-UHFFFAOYSA-N 646.794 7.460 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCCCOCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857558503 LPIJDNJBCCQXST-XGQBBNRKSA-N 642.168 7.687 50 1 KKGF O=C(Nc1cccnc1Cl)c1cc(N(Cc2cnc3ccccc3c2)C(=O)CCl)cc(C(F)(F)F)c1 1857650396 NHCCPGIFIWCOEK-UHFFFAOYSA-N 533.337 6.326 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 1911583874 IPCWHMJFJKKYLQ-NBVRZTHBSA-N 571.467 5.749 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356376319 RLYIEGNMERETJC-IVGMCOBMSA-N 843.203 7.360 50 1 KKGF CO[C@H](CO)[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@@H]3C1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC5 2356489236 PORQRQHUYWTMRI-YRIGTFAUSA-N 975.284 5.197 50 1 KKGF C=C1CCCC=NC[C@H](C)[C@H](C)CCCC=C(C)COO[C@H]([C@H]2C=C(C)C(=O)O2)CCCOC[C@@](C)(O)CCCC1 2356520240 FSKQAQWZTWBTFJ-DAPGNZIXSA-N 575.831 7.483 50 1 KKGF CC(=O)O[C@H](C=C[C@H](C)CCC=C(C)C)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356592704 HLWDNSYLWSVZSK-GZCTWCIMSA-N 516.763 7.039 50 1 KKGF CNC[C@@H]1SS[C@@H]2CC[C@@H]3[C@H](OC(C)=O)C[C@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]3[C@H]2Cc2ccc(O)c(c2)O[C@H]2CCC[C@@]1(NC(=N)NC)C2 2356637942 LPEYOLMLNGPALC-GRGRBDELSA-N 822.063 6.006 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H]5CC[C@H](O)CSSCCC[C@@H]5O)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356753830 JHNJJKNMMLXZBT-QGWJVEIISA-N 786.072 7.946 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@H]2CSS[C@H](CCO)[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356770041 VIOJPXDLVGWXPW-CZGUVERXSA-N 725.926 6.914 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@@H](CO)CC3)CC(=O)CC2 2356780338 STMXFFVLRXWUNB-PZXZSDOJSA-N 903.173 7.452 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C#N)ccc43)cc2c1 34663552 DKJMAWIEBGBFPH-SFHVURJKSA-N 517.973 5.024 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cnc3ccccc3n2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 43641077 CKPJCFKFLBFNMI-DSNOPKDGSA-N 625.549 5.790 50 1 KKGF Cc1cc(=O)oc2cc(OCc3ccc(CBr)cc3)cc(OCc3ccc(CBr)cc3)c12 66074370 FGXURSFATNJDPP-UHFFFAOYSA-N 558.266 7.049 50 1 KKGF O=P(NCCCl)(NCCCl)Oc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 150598900 LRYSVCXLEFVXFW-UHFFFAOYSA-N 937.095 14.428 50 1 KKGF CSSc1cccc(C(=O)O[C@H]2C(=O)[C@]3(C)[C@@H](O)C[C@H]4OC[C@@]4(OC(C)=O)[C@H]3[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C2C3(C)C)c1 169364674 QWJZHMJXTYUMFL-UWWUAVJGSA-N 968.153 6.088 50 1 KKGF CC1(C)[C@@H]2C[C@@H]1C[C@H]1OB([C@@H](CCCBr)NC(=O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)O[C@@]21C 169979004 NCDHKRAKNPGZPV-DURDGHSHSA-N 708.503 5.443 50 1 KKGF COc1cc(/C=C2\CCCN3C[C@@H](CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)ON=C23)ccc1-n1cnc(C)c1 195452985 IFISGXQRPUCOIA-MHWRBNPYSA-N 606.843 5.957 50 1 KKGF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc1 586944900 QFMXWCSACLAWBK-UHFFFAOYSA-N 531.528 6.568 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCCCO4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 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587714898 GKQAYCBUKNHGBF-XYZCENFISA-N 510.014 5.663 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587841919 SMWCJJAJWDPABX-LROUJFHJSA-N 565.936 5.455 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587858417 QFQVRUULHLQFOF-PVPMGCCUSA-N 547.921 6.532 50 1 KKGF Cc1cc(OCCn2c(O)ccc2O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(C(C)C)cc1Cl 587943225 RBKQJJXNXLVAFG-XOUIQYFBSA-N 576.130 6.945 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 1857561273 UVSRXUYQBDAGKD-NIHOMJOISA-N 555.951 6.584 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356299556 DKSBHUBZUKWLRK-ULOFCVEISA-N 931.323 8.949 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@H]3CO 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C[C@@]1(C2CCCC2)CC[C@H](O)[C@]23[C@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CC[C@H](Cc5ccccc5)C[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@]3(O)CCC1=CC(=O)OC1 2356739577 KPNPXRWTOGYWEP-IMCHCUHASA-N 949.373 11.263 50 1 KKGF C[C@@H]1[C@@H](CO)C[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356774871 FEPKNFMKQWQQQL-IGCBWJBXSA-N 531.832 5.831 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@H]43 2356816558 DCLDSGHNPOJCRL-YHQFAVJISA-N 857.108 5.363 50 1 KKGF NC1=C2CSSC[C@H](CO)[C@H](O)[C@H](Oc3cc4c(cc3O)CCC3=C[C@@H]5C#C[C@@]6(CCO)CCC[C@@H](CC6)[C@H](O)[C@@H]5[C@H](O)C[C@@H]34)C[C@@H](Cc3ccc[nH]3)C2=CCN1 2356866900 VOZOYDGJSXFISY-ZTMANOAFSA-N 818.115 5.061 50 1 KKGF COCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 43640880 BQRMSQJXAYZAON-CZKVOMOXSA-N 593.500 5.067 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)ccc4o3)ccc2[nH]1 95539866 KAYHFWUCPVMHSY-OAQYLSRUSA-N 807.182 7.191 50 1 KKGF Cc1ccc([P+](CCc2ccc(CCCc3ccc(CC[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95551650 DODWPHQKRXLHHD-UHFFFAOYSA-N 859.131 12.786 50 1 KKGF CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1csc([C@H](CC(C)C)NC(=O)OCc2ccccc2)n1 100727944 ZZHXRAADTPCUIH-CVJWPJSTSA-N 609.749 5.259 50 1 KKGF CCCOP(=O)(OCCC)[C@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 103210673 PUQBNDUKABMZJY-UVDRRRQGSA-N 501.589 5.736 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586998 VRBMXSWWVLWSPY-ZFEZZJPFSA-N 765.322 10.138 50 1 KKGF CSSCCC(=O)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C 169347135 IOIIBVLZAYPAHK-CQSHRALKSA-N 962.146 5.376 50 1 KKGF COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 195517834 DZSXSEOBPROUOW-FAYOUJPWSA-N 636.098 5.941 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299874040 ATVYEGCIKFTINA-WAXMSWEESA-N 701.005 8.775 50 1 KKGF Cc1ccc2c3c(c4c(nc13)C=C1[C@H](Br)C[C@H]3[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]3[C@@]1(C)C4)-c1ccccc1C2=O 586993844 QWWLVRIOBDQYIE-GKKDLJMWSA-N 566.539 7.879 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587322521 MXLHBNOKMLRAOA-XNMGPUDCSA-N 510.403 6.171 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)O2 587415349 RJSPVGXBRKIQBS-AUMHUTNHSA-N 551.152 7.147 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587689709 VCWUVFVOGDTXLP-SGANQWHYSA-N 505.859 6.411 50 1 KKGF Brc1ccc([C@]2(C(Br)Br)c3ccsc3CCN2Cc2ccco2)cc1 962707752 OIAHNWHZFUOHSJ-LJQANCHMSA-N 546.122 6.521 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2cccc3c2OC(F)(F)C(F)(F)O3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963083272 OJBKXALAGPDFJG-FXBDCZLJSA-N 884.566 9.238 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccccc2)nn1 1857635592 OFNVQGFKKXYXIX-YVJMCREESA-N 517.670 5.909 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@@]3(CNc3cccc(F)c3)CC[C@@H]2[C@]1(C)CO[Si](C(C)C)(C(C)C)C(C)C 1857641149 NWLJEZQMXSGGSK-UFVCMBBUSA-N 657.940 8.205 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(F)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cnc2ccccc21 1857651621 MUIOHAJXSNFGRI-UAKXVESRSA-N 538.663 7.384 50 1 KKGF CC(=O)O[C@H]1CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)O)CC=CC=C(C#N)[C@H](OC(C)=O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@@H]1C 1857742243 VESXCGISHVMQEX-OWHLAQQWSA-N 573.727 5.777 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@H](C)NCC2=C[C@H]1CCC2 2356370614 RZBOKHYCUUUYLX-PLJSWLADSA-N 725.027 5.955 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@@H]3C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]3SSC1)[C@@]1(C=CC[C@@H](C)C1)C2 2356395898 WQDKZOIIBMSNIE-UNZOTEDXSA-N 685.100 9.962 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(CC3CCCCC3)=C[C@H]12 2356422263 KVINWTVMYISUJO-RWDZGBIESA-N 764.963 5.631 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@@H]5CC=C[C@@H]4O[C@H]3C[C@H]2O1 2356695777 WTXGTTBOKVQBGS-ARXQKNEVSA-N 881.069 5.082 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@@H](O)[C@@H](c1cc(OC3CCCC3)c(O)c(OC)c1O)O2)C4 2356732838 ZSRPJBMLRABGBR-YUAFIZKFSA-N 680.885 8.228 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)[C@H](CCCO)CC[C@H]2[C@@H]1CCN(CCCOC)[C@@H]2CC)C4 2356773240 UHFGKTBTSOTHFS-XPGJWRIXSA-N 955.155 5.481 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@H](C2(c3ccccc3)CCCC2)SSC1 2356865383 WBSOPPUAHAQJRU-MPYFAXEFSA-N 632.892 7.265 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](C1(n3ccnc3)CCCCC1)C1=CC2=CN[C@@H]1N 2356867844 WWTAHCFPXHQMID-FKLKZNAWSA-N 660.906 6.789 50 1 KKGF COc1c(Br)cc2c(c1OC)[C@H](Br)CCC(Br)(Br)C2=O 6040978 VBTGTZGFJOETGJ-SSDOTTSWSA-N 535.852 5.365 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC 27636895 DUQWEPPYHQNMEN-NRFANRHFSA-N 648.072 6.325 50 1 KKGF CC(C)(C)c1cc(CN(Cc2ccccc2)C2=NC[C@@H](CBr)S2)cc(C(C)(C)C)c1O 82052500 MZJYLNHSXKEZTF-HXUWFJFHSA-N 503.550 6.856 50 1 KKGF CCSS/C(CCOP(=O)(O)O)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOP(=O)(O)O)SSCC 95551635 IWGZCRANCQVBQO-LBXGSASVSA-N 768.960 8.069 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 95606642 XXYWFFFNGNMCNB-SFPMOXBFSA-N 816.166 7.725 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccc(O)cc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 102921321 XCJINWZVZXFXCJ-AOORQRSUSA-N 521.429 6.285 50 1 KKGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2ccc(O)cc2)C2=C1C(=O)CC(C)(C)C2 169310088 FPKFCXHZIBLCLY-MHZLTWQESA-N 531.620 5.013 50 1 KKGF Cc1ccc([P+](Cc2nc(C)c3c(c2C[P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)COC(C)(C)O3)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 210377647 BTPWDMVMVRSFEK-UHFFFAOYSA-N 814.003 10.874 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O 253907811 SCGKCIFKZFNKSL-LUCPTXRDSA-N 605.212 6.791 50 1 KKGF CC[Si](CC)(CC)O[C@@H](C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@H]3[C@](C)(C(=O)[C@H](OC(C)=O)C(=C1C)C2(C)C)[C@@H](O)C[C@H]1OC[C@]13OC(C)=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 299846747 QNXQHDXFZWJYPS-RGZLSWIJSA-N 968.182 6.765 50 1 KKGF CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCCCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 299871466 YQKJRFICRRJOFW-CYXNTTPDSA-N 525.605 6.380 50 1 KKGF NS(=O)(=O)c1ccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586930424 SMRZDIJKDHCPKK-UHFFFAOYSA-N 506.316 5.415 50 1 KKGF O=Cc1cc([N+](=O)[O-])ccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587269335 LNIUKVHUFRYFCI-UHFFFAOYSA-N 502.215 6.283 50 1 KKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1C 587324921 AYCBDHZIGCXSDO-DGPALRBDSA-N 504.001 7.049 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 587537076 AGDUGOUVRNWLAA-ZJSXRUAMSA-N 547.188 6.606 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(C(F)(F)F)c1F 587543478 CHTLRJNNTLJKFG-DYESRHJHSA-N 515.228 5.941 50 1 KKGF COc1ccc(/C=C(\C#N)[C@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587729975 DNUBWHCFLWFEAU-ZCLDOSDASA-N 517.439 5.997 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1)(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962618017 DTPQPPLGRRHYHP-GORPTZFZSA-N 582.053 6.546 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCl)(c1cc(Oc3nccs3)ccc1O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962627994 MCFUONOHHSPGOF-IDISGSTGSA-N 559.040 5.572 50 1 KKGF COc1cc2c(cc1OC)[C@](C)([C@@H](Br)Cc1ccccc1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670714 HYZMKTPBWJHVRQ-AHKZPQOWSA-N 580.416 6.782 50 1 KKGF COc1ccc2[nH]c(C)c([C@@]3(CCl)c4c(ccc(OC)c4OC)CCN3C(=O)c3ccc(C(F)(F)F)cc3)c2c1 962674860 IYQBJPLGDLDWGB-LJAQVGFWSA-N 573.011 6.702 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(N(C)C)cc1)(C(Br)Br)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682944 XWGXJEZUQBMCAN-HHHXNRCGSA-N 656.337 6.847 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962720952 YLKDSGYGAMURSR-XSQPYDQZSA-N 872.425 7.585 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CCCCCCl)c3ccc(F)cc3)c(O)c2C(=O)O1 962974817 TYWIKJXMNPABJY-BWVNHPAKSA-N 614.497 6.481 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(c1ccc(Cl)cc1)c1c[nH]c(C(=O)NNc2ccccc2)c1 962992066 XXLDKODBSAHMGJ-DIPNUNPCSA-N 683.592 7.045 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc(Cl)ccc2Cl)N1C(=O)c1ccc(Cl)cc1 963026825 WRVZGXNZSOEOID-BKMJKUGQSA-N 548.253 6.762 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939493 XVTFSAZIVRCTNF-FGBVSPFVSA-N 707.359 5.657 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857588017 WJEJRZIPSNSUTC-MRXNPFEDSA-N 558.425 5.434 50 1 KKGF COCCC[C@@H]1CCCC[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@@H](O)CC4 2356363069 GOHRRKBBLYFFGZ-VFMWBZPASA-N 903.221 6.270 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@H](O)C3CCCCC3)C2)[C@@H]1CC(=O)O 2356447041 JWTUSGUHHGLFRQ-INBYUBCCSA-N 708.043 7.588 50 1 KKGF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C=O)CC[C@@H]3CC=C(C)[C@H](C[C@@H]4C(=C)CC[C@@H]5[C@](C)(C(=O)O)CCC[C@@]54C)[C@]3(C(=O)O)CC[C@@H]12 2356460503 XKQQQMUUEMKGNN-IVZJEUFJSA-N 618.899 9.447 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356610870 ANKFESSWVMTSCB-XGDHOOQVSA-N 783.107 6.506 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 2356774167 RXTSWHPBNFDLNN-WJKKVCRISA-N 706.879 6.034 50 1 KKGF 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C/C(=C\CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 1772628423 IJBKYXUBTDMCDR-WMWXBDBMSA-N 613.707 8.080 50 1 KKGF COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3ccc4sc(C(=O)NCC(C)(C)SSC)cc4c3)n(C)c1)N=C[C@@H]1Cc3ccccc3CN1C2=O 1857555078 RYLPPMGQTJAHLY-PMERELPUSA-N 825.051 8.101 50 1 KKGF CC[C@]1(N=C=S)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 1857651266 KQKPVEMSBHFZHM-HXCFSDMCSA-N 852.067 5.101 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(C(C)(C)C)cc2)nn1 1857747996 STSFTQNHSYCMAZ-OIPROTGDSA-N 545.768 7.371 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@]4(CC)CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5ccc(=O)oc5cc1O2)[C@H]34 2356292335 PCRMMRGBSQYAAT-GRGMGHIQSA-N 697.879 6.139 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356300204 MCYKBDVRSZIFSV-DPNVQXPJSA-N 905.285 8.560 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)[C@@H]3C=C[C@H](c4cccc5ccccc45)c4c3ccc(O)c4OC)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356301248 RXFCAHWCRVDSRC-GFXGQSQPSA-N 942.213 9.065 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@H](O)c2nc(C(C)=O)cs2)[C@H]1C 2356325994 RYSXYKPCSNNWNU-YLCBGKNYSA-N 660.315 6.508 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C[C@H]6CC=C5CSSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 2356351047 OMBSIJMQTQBVQC-SJPWVXNCSA-N 883.185 8.772 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3C=CC[C@@H](CC[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@H]4CO)[C@H]1[C@H](O)[C@H]2O6)C3 2356353297 LGWOLFWIBUZOPJ-HGWZZSPXSA-N 730.901 6.343 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](C4(CCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356369419 WTGNADDMECVHGQ-BOHRVNAOSA-N 952.382 7.448 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356441951 JKRVPFRVJGLEHE-MFCGZAOPSA-N 902.271 6.268 50 1 KKGF C=CC=CCC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CCC=C(C)C(C)=CC=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@]1(C)O 2356452965 JPBOABGEVHVPNM-LAKAALJUSA-N 656.901 6.476 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC)[C@@H]2CCC[C@@](C)(O)[C@H]2O3)O1 2356762490 ADZDLZKCSHINGR-XKEYYSAWSA-N 627.690 5.147 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356814443 SDXUJXWYQCXLQF-VXDCNZCWSA-N 773.010 6.513 50 1 KKGF CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)C[C@H](OOC[C@](O)(Cc1ccc(O)c4ccc(O)cc14)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@]1(CC=C[C@@H](C1)[C@@H]1CNC(=O)[C@@]14CCC[C@@H](CCC3)C4)O2 2356818055 DQBZCIYDZJSPNJ-OABVFGFNSA-N 974.117 5.765 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356825880 HUSJSDHMAJXKSB-VNBLENSISA-N 773.079 5.574 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc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c1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@@H]1C(C)(C)O[C@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 898946 COQAPWLZSHQTKA-QSMGMNEGSA-N 544.644 5.627 50 1 KKGF CCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145598 LSUFEPKBPIBSRR-YKEYHJQHSA-N 519.726 6.769 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 85544698 XZYMMLQWYKZGCV-JEBQSCDUSA-N 540.785 6.140 50 1 KKGF biogenic,in-vitro COc1c(OCCCCBr)cc2oc3cc(OCCCCBr)c(CC=C(C)C)c(O)c3c(=O)c2c1CC=C(C)C 95587136 PYSBVNKOTBKRFT-UHFFFAOYSA-N 680.474 8.786 50 1 KKGF O=C(O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)/C=C/c1ccc(Cl)cc1Cl 95606063 GJJHRYWTCLXTJR-YZTRRJNXSA-N 720.556 6.262 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COC(=O)CCC(=O)O)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 96926923 MRMWPXILPFNNHC-RWFCGJOVSA-N 706.870 6.292 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccc(Cl)cc2Cl)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103294869 JVXDWTXWFYLWAV-UHFFFAOYSA-N 545.532 8.113 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]5CC[C@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]21C 136695315 XRRHDGKBIMJRKD-MPTYLSRPSA-N 546.384 6.503 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@H]3CO 150349716 XBZBVBHYXSUITK-VTDSVECDSA-N 932.194 7.898 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@H]2[C@H](CSCCCSC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169324822 WQOWZDQPDRPHPB-WOYOZBTESA-N 668.871 5.620 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3Nc4ccc(Cl)cc4[C@H]4C=CC[C@H]43)nc2c1 587077917 BXNRUYNVGLABMB-JKDFXYPNSA-N 526.756 8.463 50 1 KKGF CC(=O)O[C@]1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587103071 AOMVUVNITNOMMN-VSVUIOFHSA-N 640.607 8.544 50 1 KKGF COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1OCC(=O)NC(C)C 587219586 DCFIDWUFPYBILO-UHFFFAOYSA-N 544.340 6.562 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 587320704 GYIXBJQXZFQYJW-YIXXDRMTSA-N 538.369 5.100 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(-c3ccc(C(=O)CBr)cc3)cc1)O2 587371403 DJGMOUFQLSENMB-VWLOTQADSA-N 543.255 6.077 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@@H](Br)[C@H](Br)c1ccc(F)cc1)[C@@H](C2)C3=O 587428725 OSEAHGMDSGXWAH-UOYQKJQJSA-N 564.220 6.516 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)c(C(F)(F)F)c1 587549060 PNFYLCBLBNAGOE-RXVVDRJESA-N 513.693 6.316 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 587709104 IANIOCKQZATEDJ-GCXOYZPQSA-N 533.930 5.631 50 1 KKGF O=C=Nc1c(Br)cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br 587877169 XKWYOWYCOPRBNU-UHFFFAOYSA-N 517.004 5.196 50 1 KKGF CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O 587940383 OPPSSKXMESRRQK-LCUNQHKMSA-N 813.386 5.216 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653720637 YYIGLAPOEWANCK-GJXDXPGMSA-N 561.502 7.267 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](c1c[nH]c3ccccc13)([C@H](C)Br)N2C(=O)OC(C)(C)C 962707976 LUOYWKBTDZQAPL-CKZDFEDFSA-N 557.460 5.985 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cl)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 962996363 JKRKUGLZAUCMJP-IAPPQJPRSA-N 518.038 5.420 50 1 KKGF C=C(C)[C@]1([C@@H](C)O[Si](C)(C)C(C)(C)C)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963016716 LNPBEMNEYNIOCB-ASEULYJZSA-N 553.175 7.155 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](c2ccc(F)cc2F)([C@@H](C)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367151 MWGSJNZEKLAAQM-WOMYHBEASA-N 648.500 7.046 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857563763 LKSQTXAFGHDCRB-MRXNPFEDSA-N 513.428 5.526 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c2c(c(O)c(CNCCCO)c1CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@H]1C=C2 2356327913 LFWGYIQEJPMDFM-ZHHAONKWSA-N 987.254 7.584 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)CCCc1ccccc1 2356364736 XJXWSEROVOZLLF-CBNWJMNVSA-N 590.845 6.973 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@](C)(O)C2CCNCC2)O3)O1 2356369393 WONCZZRXAVMZRG-ACRTYVMJSA-N 738.878 6.125 50 1 KKGF CC[C@@H]1C=C[C@]2(c3cc[nH]c3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@H]2C1 2356487387 ZHDVLZJLBGWCMY-IWIFXLGUSA-N 529.724 6.029 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(NC(=N)N)CSSC4)O[C@@H]21 2356511792 IFAFKNVDGXHZGD-YPDJTTACSA-N 791.005 6.254 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCCC3)c2)ccc(O)c1OC 2356521601 FCVYNIPQSGAOFH-ZLTOXMFGSA-N 988.326 10.145 50 1 KKGF C=Cc1c(C)c2[nH]c1=CC1=NC(=CC3=C(C)[C@@H]4C(=O)[C@H](C(=O)OC)C(=C5N=C(C=2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C=O 2356766741 ZJTSOHVFOHPWJC-FXEQAWHXSA-N 885.203 10.171 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@H](O)[C@H]3C[C@@H](C=C[C@H]1C3)C2 2356827005 HMOHJDMKLDBFHO-RQCRYORBSA-N 800.100 5.794 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@H](Cc2ccccc2)SSC1 2356831393 JORSCINVPDIYHR-NXABLUAMSA-N 604.838 6.701 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356851849 QKMQSQXGYXKHRJ-XIOQGWQRSA-N 735.444 8.982 50 1 KKGF C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCCC)CC1)c1cccc(OC)c1 8019435 UZVRMJYWIDQRNJ-GFLPGQDNSA-N 513.662 7.592 50 1 KKGF N#CSc1ccc(CCCN2CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1I 28636495 NIJOORNICFKUQB-UHFFFAOYSA-N 632.562 6.921 50 1 KKGF CC(C)(C)C(=O)NOc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 72138011 UJLZDOJCPMZQAP-QFIPXVFZSA-N 634.136 7.494 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl 82182205 OPQNJWHDOOQHIJ-FGZHOGPDSA-N 735.665 7.918 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)OC[C@H]([C@@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 85626448 YTHGXSOWWNYEHD-IAWDYOHMSA-N 765.055 5.554 50 1 KKGF biogenic,in-vitro CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1F 103217081 CEJZIJWDLSAISU-GAPOMRBKSA-N 610.641 5.434 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](C[n+]2cc[nH]c2)(CCN3)SSC1 103529707 OODNNDVBNJASIZ-UKPGIYTDSA-O 593.795 5.456 50 1 KKGF biogenic,in-vitro CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1)OC(=O)N(CCCl)CCCl 150530601 PHMVJSWULBLUSV-KQASLXPVSA-N 835.139 14.872 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C)[C@H](CC(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@@H](C)CC[C@H]([C@@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@]4(C)CC[C@H]1[C@@]32OO4 169616807 CRSJHIRCVZDTHB-VICQEEFJSA-N 832.066 7.556 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 195159102 SBWFAIGFKMBQFX-HBXGXBMGSA-N 798.421 5.306 50 1 KKGF COc1cc2c(c3oc4ccc(CBr)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 195435614 KNQROZXVENVIGO-VQKGBTERSA-N 795.676 6.761 50 1 KKGF CCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC[C@@H](Cl)COS(=O)(=O)O 231928839 WAZWQAUPFQVNCE-ZUYVPRDGSA-N 703.015 8.292 50 1 KKGF CC(C)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC[C@@]2(O[Si](C)(C)C)[C@@H]3C[C@](O[Si](C)(C)C)(C(F)(F)F)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C 299876742 GFDBWCVAEMTLDC-OFCDWFIWSA-N 761.168 10.858 50 1 KKGF Fc1cc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1-c1ccccc1 587145882 ULCVRMISUFNONA-UHFFFAOYSA-N 507.297 8.380 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCO4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191661 UDGXUNFEZCJMQU-PTDWPYMRSA-N 605.776 6.324 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323560 RTRQBJIPCAZWOA-ODGPQVTHSA-N 519.750 5.677 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 587546745 XKVDJRCFBKOYAB-UHSQPCAPSA-N 517.965 5.667 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(I)cc1 587568298 HILULMGSZHEELP-RXVVDRJESA-N 537.147 5.249 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 587673787 PYEFUUWGKJFPJG-RXAIFQJESA-N 537.270 7.658 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587840169 JWSQDWPBHDPUNS-XGCWNURASA-N 610.977 5.033 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845359 DVYYPLVNEQVCAC-WNWIJWBNSA-N 556.089 5.330 50 1 KKGF COc1cc(O)cc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 587930610 DUGMZUFQGGUHJY-UHFFFAOYSA-N 521.305 8.031 50 1 KKGF COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961746360 CXPWMLSADUBARD-RUZDIDTESA-N 550.425 5.532 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680154 RYWPLMVDDZUSTD-YMUVDJRFSA-N 739.300 9.374 50 1 KKGF Cc1onc(-c2ccc(Br)cc2)c1[C@]1(CBr)c2cccc(F)c2CCN1[C@H]1CCSC1 962713385 RDUKPEZXFLHRMS-UUOWRZLLSA-N 566.334 6.554 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(-c3ccc(Cl)cc3Cl)o1)N(C(=O)c1ccccc1N)CC2 963139868 LVONRPFMAMCDLW-GDLZYMKVSA-N 616.339 7.190 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2ccc(N3CCOCC3)cc2)(C(Br)Br)N1 963197147 MTQBUABXSAXWAZ-IERDGZPVSA-N 612.668 5.154 50 1 KKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1cccc(I)c1 963281646 UFTUZKXJYVZDLR-QGZVFWFLSA-N 521.034 5.180 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](c2ccc(OCC(=O)O)cc2)([C@H](C)Br)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947124 KVNFYLOTBZZMBA-LUXLUOBYSA-N 746.746 5.314 50 1 KKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1Cl 1772599584 OPDZMQOSPYCUNZ-QFIPXVFZSA-N 516.869 6.625 50 1 KKGF COc1ccccc1-n1nncc1CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c2nc4ccccc4nc2c2ccccc32)c2ccccc21 1772641827 BHRUIBWDEYNKHQ-DIPNUNPCSA-N 628.652 5.445 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857588016 WJEJRZIPSNSUTC-INIZCTEOSA-N 558.425 5.434 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c(C)c1 1857618616 ISDKLINIXWQKOJ-JOIGCABISA-N 707.908 9.014 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@H](C)NC(=O)[C@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911584344 IIBUOWGJBQBGCM-QMTYFTJSSA-N 631.540 5.006 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNc6cc(ccn6)CC3=C4C(=O)O5)[C@H]21 2356296005 ZPSKDXFFIMYPAW-YFWPOMIYSA-N 649.879 6.422 50 1 KKGF CC[C@H](Cl)CC=C[C@H](O)[C@@H]1O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@@H](OC)c2nc(C(C)=O)cs2)[C@H]1C 2356323243 AUXCARRWWRCVMM-XTLMHGDPSA-N 619.435 5.715 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356350634 GWJSDUXDZTYTMQ-HSDOXTBDSA-N 589.912 5.974 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3C=CC[C@@H](CC[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@H](O)[C@H]2O6)C3 2356353296 LGWOLFWIBUZOPJ-DNGCBJHOSA-N 730.901 6.343 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@H]5[C@@H](CO4)C3)CCCC1)CC[C@@H](O)CC(=O)CC2 2356354858 BJUOAJXOWWUOMS-YEYOJXIQSA-N 801.088 5.909 50 1 KKGF C[C@@]12CCSSC3(CCC4(CCCC4)CC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356357241 RDUGIGDGYPQHKY-UTVGITEJSA-N 629.977 6.754 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356458268 JIJVGMZIRXFNTK-GRMHZFHASA-N 885.240 7.213 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@H]1[C@H](C)COC(=O)C(C)(C)C 2356700450 MUTVNXBVNLPRDD-FXANNNOASA-N 640.975 7.984 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356741205 UXOKFKROLQSZEM-OUYCKWISSA-N 761.101 6.994 50 1 KKGF O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23C=CNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@]2(C=C1Br)CCNC1=C2C2=NCCc3c[nH]c(c32)C1=O 2356756209 GKTDFKGQRPKPEJ-MPQUPPDSSA-N 828.568 5.589 50 1 KKGF C[C@@]12CCSSC[C@]34NC(=N)NC[C@@H]3[C@H](c3ccccc3)CC[C@@H]4CCC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356768745 UWCFAEXKYVXXIZ-HHMIILCHSA-N 623.929 5.911 50 1 KKGF CCCCCCCNC(=O)C1(C[C@@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)CCCCCBr)CC1 38140370 LENYONRXIRRVNH-VWLOTQADSA-N 641.489 6.983 50 3 KKGF CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 49938130 YTTUSWGEBSUIQM-TXPZFKACSA-N 572.830 9.152 50 1 KKGF CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@@H]1C)OO2 58592609 WONHTQGFQZNARX-ITKZZKFESA-N 589.814 6.862 50 1 KKGF BrC[C@](Br)(c1ccccc1)c1ccccc1-c1cc(-c2ccccc2)cc(-c2ccccc2)n1 73258345 QDTFIRRBFJVZPO-HKBQPEDESA-N 569.340 9.116 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@@]34C[C@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549215 UACUEVLXHNSVNW-RHRBPCIISA-N 786.208 7.457 50 1 KKGF biogenic,in-vitro O=C(O)[C@H]1O[C@@H](Oc2ccc3c(=O)[c-](-c4ccc(O)cc4)c[o+]c3c2)[C@@]2(O)CNC[C@@H]([C@@H]3CC#CCCCc4ccccc4/C=C/C3)[C@@H](C3=C[CH+]N=C3)CSSCO[C@H]2[C@@H]1O 150344177 HQAMQILAOQBVKT-WZUFHNKDSA-O 864.031 6.628 50 1 KKGF biogenic,in-vitro C=CCO/N=C(\C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]42OO3)[C@H]1O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 169616851 WGDOECSYODBCCA-CDMOYLBASA-N 631.807 6.436 50 1 KKGF CC(C)(C)[Si](C)(C)Oc1cccc2c1C(=O)c1c(O[Si](C)(C)C(C)(C)C)cc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc1C2=O 205876385 DPSNYMCPUQBZKB-UHFFFAOYSA-N 647.873 8.495 50 1 KKGF CC(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc21 211012083 QJBVYURBZSGGMS-BUDOKORBSA-N 543.578 5.243 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CSCCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253684198 KMZJLUPIQIDZHL-ALOIZTKVSA-N 682.898 6.010 50 1 KKGF N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2Cl)s1 299836536 NILQTUHMOFZUFK-KGENOOAVSA-N 542.089 7.032 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc2c1 587014962 BGEXAOUTVJQVFA-UHFFFAOYSA-N 551.187 9.080 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587546627 XALXLROQUAUDST-ABYGYWHVSA-N 517.965 5.682 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546748 XLLATVFZJFYELW-BHRHKHSISA-N 714.215 5.516 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 587674234 VFHOJNNUWCLRKJ-WNSKOXEYSA-N 505.225 6.553 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 587688267 KFMLYYLOAWTOBF-LBEFLKDASA-N 531.809 5.341 50 1 KKGF COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587690122 ZHUTXEJQTXAITP-BUNUKWNGSA-N 532.837 5.874 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(F)(F)F)cc1 587710829 FOMJDCJENKJOMO-ZLOXQWCVSA-N 529.803 7.031 50 1 KKGF Cc1cc(C)cc(N(C(=O)CCl)c2nc(-c3ccc(C#CCNC(=O)Cc4ccc(Cl)cc4Cl)cc3)cs2)c1 587897562 JJXMJLAMOAUETB-UHFFFAOYSA-N 596.967 7.348 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCCCl)(c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677853 MSXBYAVTOFASHS-NDEPHWFRSA-N 532.002 7.074 50 1 KKGF COc1ccc2c(c1OC)[C@]1([C@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963776290 MRJFHVCMGRZJRD-RTWMICSYSA-N 565.508 5.868 50 1 KKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1cccc(Br)c1 1772599730 CRTIIQNDNZBPRD-VPUKRXIYSA-N 543.784 6.093 50 1 KKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C=C(C#N)C(=O)[C@](C)(C(=O)N6CCNCC6)[C@@H]5CC[C@]43C)[C@H]12 1772611557 FIEBWDDAAPQJSM-HACYNSBMSA-N 559.795 5.494 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](CI)C4=C(CC[C@H](O)C4)[C@@H]3CC[C@]12C 1857535999 QJHZPCLORSPENH-TUVADYJWSA-N 512.560 7.804 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356292320 OJBIPPOMVGNUFL-JQKRQSEJSA-N 929.307 9.077 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C1=C(C=O)CCC[C@@H]1C[C@@]2(C)O)CCC=C(C)C 2356349653 LAAZINDHBVPJPR-LFIFHPIFSA-N 556.784 5.377 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@@]45CC[C@@H](CSSC[C@@H](CC[C@@H]3O)[C@H](C)CC[C@H]4NCCO2)C5)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356432855 OQFHKKSUYYFZJW-JXOSAPHRSA-N 938.262 5.254 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)O[C@H]([C@@]4(C)CC[C@@H]([C@@](C)(O)CC[C@@H](O)C(C)(C)O)O4)CC[C@@H]3O2)CC[C@@H]1Br 2356486995 LDQVWFLDLPYOLQ-UEBVOPQASA-N 605.651 5.184 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@@H]1O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@H](O)c2nc(C(C)=O)cs2)[C@@H]1C 2356500311 RGMRJERYAWLGFL-XECDFGRJSA-N 623.854 6.308 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356582403 HDIMWZVZIYCEBP-ZTICEUBXSA-N 827.160 6.522 50 1 KKGF CC[C@H](OCOC)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC 2356698079 FKZBLCZOLUNILC-YWFRYJBPSA-N 705.015 6.244 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OC)C(=C2CCC(=O)[C@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356715383 JBYLOGVSQFDBEV-GTODQDLJSA-N 671.787 6.393 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356778955 IAHKUGQJSODANE-KHXJROIESA-N 882.291 7.163 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@@H](C6CCCC6)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(C)=C2OC)[C@H]5C)c1 2356822893 GGSRNDDOYNSNRA-WPILCDNPSA-N 840.249 11.526 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)[C@H](O)NC[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)[C@H](c3cc[nH]c3)CSSCO[C@H]2[C@@H]1O 2356864289 VTCMXVATQHXSOG-IUIVECMISA-N 905.060 6.750 50 1 KKGF Cc1ccc(/C=C/C(=N/NC(=O)N/N=C(/C=C/c2ccc(C)cc2)C(C)(C)CN2CCCCC2)C(C)(C)CN2CCCCC2)cc1 5940152 YDXSFKJPBVDNEE-PGPLWROISA-N 624.918 8.065 50 1 KKGF O=C(N/N=C/c1ccc(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 27648725 KGZLHPADKMMSEL-DPNNOFEESA-N 561.469 5.574 50 1 KKGF CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(-c2cc(Cl)cc(Cl)c2-c2noc(C)n2)cc1F 49766578 SUCCCVCWVFUCKF-SECBINFHSA-N 549.312 5.239 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCCCBr)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 49793370 QMCHHXQAKSQISQ-XXJJMGNBSA-N 591.715 8.867 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 58539503 QMRLUDGWTOEVNV-KCWPFWIISA-N 585.034 5.071 50 1 KKGF Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5c6cc(O)c7[nH]cc(C)c7c6[C@H](CCl)[C@@H]5C)cc4c3)ccc2[nH]1 95628279 QOABFLFWJSCFNS-YEEURNOCSA-N 829.745 9.638 50 1 KKGF in-man C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 118933961 HVQCHMISIPQSDU-YADLPLBTSA-N 557.873 6.064 50 1 KKGF COc1ccc(CO[C@@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC[C@@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 195461246 UTSZXQPSRBHBFS-OEKIHEQNSA-N 713.054 10.448 50 1 KKGF CCCCCCCCCCCCCCCC(=O)Oc1c(C/C=C(\C)CCC=C(C)C)c(O)c2c([C@H](CC)OO)cc(=O)oc2c1C(=O)[C@H](C)CC 207095125 WVJSYWPTTUYENB-XZFVPDMQSA-N 710.993 12.290 50 1 KKGF CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(Cc3ccc(B(O)O)cc3)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12 218303430 GXYJWNKRGXLSBT-UHFFFAOYSA-N 734.546 5.417 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)([C@@H]2C1)N(C1CCCCC1)C3=O 473123079 KHPZRFSKOJGJEJ-YYHAPLCHSA-N 570.818 7.503 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587039252 DLNWHYMRCPXURD-CABCVRRESA-N 500.356 6.929 50 1 KKGF CC[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 587185354 SCGKBFNDSRBNGO-GFCCVEGCSA-N 571.151 7.092 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)[C@H]1c1ccc(F)cc1 587321082 ICSGQMOXDUSXSY-UKILVPOCSA-N 563.206 7.142 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587323407 REBMRFNRCNDOAX-PXJZQJOASA-N 578.390 6.668 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)OCc1ccccc1 587499074 RRRHIHNQSNVZDJ-BHBYDHKZSA-N 504.026 6.046 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587542402 HAFAXPUWUYFJKP-UCGGBYDDSA-N 570.045 5.693 50 1 KKGF CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653689017 KOYOXMIPRHSLHY-SFHVURJKSA-N 526.833 5.060 50 1 KKGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)/C=C/c1cccc(Cl)c1)[C@@H](C)[C@H](OC(=O)/C=C/c1cccc(Cl)c1)O[C@@H]4O3 653764379 UZDDQSZTWMVPQL-SQGTZUKSSA-N 629.533 6.993 50 1 KKGF CC1=C(C#N)[C@H](c2cccc3ccccc23)C2=C(CC(C)(C)C[C@@]23c2ccccc2C[C@]2(C4CCC4)C(=O)NC(=O)N23)N1 962657853 DJOXJSAMOICXFJ-NINLVYDZSA-N 568.721 6.941 50 1 KKGF CC(C)(C)O[C@@H]1C[C@@]2(c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1Cl 963043229 UINYXYOPMPCJAX-IEUGTEEQSA-N 582.043 6.615 50 1 KKGF Cc1onc(-c2ccc(F)cc2)c1[C@]1(CBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963241499 UYCJDWYSYQDJOD-CZZIKKGSSA-N 773.524 7.210 50 1 KKGF O=C(CNC(=O)c1ccc(-c2ccccc2)cc1)N/N=C/c1ccccc1OCc1cc2c(cc1Cl)OCO2 1857576787 DHZRMVOOUOODIC-MHDJOFBISA-N 541.991 5.195 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 1857578702 QDLRLYPWXMVZLU-HJSXPXKPSA-N 577.501 5.830 50 1 KKGF COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccc(F)cc1)C(C)(C)C 1857584988 GAGWNCZCTUMDCJ-BMYMHALSSA-N 870.036 5.472 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)CCCBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCBr)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857759304 IDPMYNFZAHALIX-ZITADIDCSA-N 740.702 10.449 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 1857760664 BLVOEERIILZPFF-JCMZNZNDSA-N 612.883 6.923 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SS[C@H]7C=Cc8c(ccnc8N7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356291884 FAIFNMNQCZOVFT-RJZZVQQJSA-N 779.981 7.476 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)c1cc(O)c([C@H](CCCC)CCCC[C@@H](C)[C@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356328338 SOQDHIOFRVNKJC-YXOHTTFBSA-N 795.451 8.775 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@@](CNC)(C[C@@H]2C[C@@H](O)OC)O3)C12CCCC2 2356349320 BYMPGSIYMBPRBE-PJEQNGIFSA-N 903.265 9.365 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]21O)[C@@]3(C)[C@]12C[C@@H]4CC[C@@H]1[C@@H]1CSSC[C@@H]([C@H](C)O)Nc3cccc(c3)C[C@H]1C2 2356374148 OTMZXXBYZPQACP-YSZZNLFYSA-N 597.887 6.318 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CC[C@H](CCc4ccccc4)C[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356429744 HGCHFARSIULMOC-PUFLBESPSA-N 968.295 9.788 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356515402 NWTZMBNBNDACRI-AGCULBJDSA-N 837.199 7.951 50 1 KKGF C=C(C)[C@H](CC[C@]1(C)C(CC[C@H]2[C@]3(C)CC[C@@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)=C(C)CC[C@@H]1O)OO 2356608865 JKSNJIROFMMOOT-RRJLJTPVSA-N 508.740 5.944 50 1 KKGF CCCCC=CCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356627543 MPHZATYEHALXRU-JFIDLMNTSA-N 683.071 11.640 50 1 KKGF C=C1C[C@H](O)[C@@H]2CCC[C@@H]3C[C@@H]4C(=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]45C)[C@]4(O)[C@@H](CSSC[C@H](n5ccnc5)CC1(C)C)C[C@H]2[C@@]34C 2356661898 USFHGDQPMJDEOU-KJHDDCQVSA-N 670.982 6.000 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@H]3c4c(ccc5cocc45)CCC[C@H]3NC(=N)N2)C1 2356768712 UBICITBYWJWTHD-SGUJCJAPSA-N 920.383 12.421 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](CCOC)([C@@H]2CCCC[C@@H]2CNC)NCC2=C[C@H]1CCC2 2356771050 OLVVGKLGQCFKDE-CGOMCESLSA-N 968.374 6.745 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)CCC[C@@H](CC45CCCC5)[C@H]3OCCO)C=C12 2356815088 CORPGZLJPORTQS-ARIRIBHESA-N 928.315 7.912 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CC3=O)[C@H]3C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@H](O)C2)C4 2356824674 GXFJBQZBEQLHLL-BQWSOFEUSA-N 993.394 8.960 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356851783 QJUOHHKCSHTUIE-GGWLEAGCSA-N 666.006 7.825 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356862174 UXPHRPGUJZEXIR-NBLRUBJOSA-N 933.339 8.618 50 1 KKGF C[C@@H](NC(=O)c1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938291 LERQMDBSXNYVEM-ZBMTYMMFSA-N 705.145 7.391 50 1 KKGF CN(CCCCCl)[P@](=O)(C[P@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl)OCc1ccc([N+](=O)[O-])cc1 72118874 XGDDLHOUDZFWKV-YATWDLPUSA-N 653.437 7.482 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2([n+]3cc[nH]c3)CCCC2)SSC1 85596442 XTRHGVUUQPSQRB-JPZYQRIQSA-O 621.849 6.338 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102202093 JTXHATPLRKWRIJ-IPSCFRKDSA-N 525.436 5.580 50 1 KKGF Cc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171141 XJGABQAQKYATOA-CYXNTTPDSA-N 618.920 5.762 50 1 KKGF CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)Oc2cccc3ccccc23)N2C[C@@H](Cl)CC(C)(C)C2)C1 299861285 IDMCXXPJSPYTRZ-GNKBHMEESA-N 533.584 6.963 50 1 KKGF O=C(CCl)NCc1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587330025 ZVJIEAZCOMEEJF-JDXGNMNLSA-N 531.967 5.395 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 587683940 ILRTVTQYHFDUFP-UOXLDJKESA-N 548.239 5.789 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685598 ACFSLXZECFRESS-PWECECGKSA-N 519.842 5.799 50 1 KKGF CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587686744 XCXNSYZFDPGXAD-JHEDJQISSA-N 681.039 6.679 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 587714099 URJVNCRKHSERJA-HUTHGQBESA-N 515.570 6.433 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 587730430 FUVNSZCEHLLXGW-IYHRRXJPSA-N 520.849 6.116 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587843192 HNNOGTJGUALAJU-LFPIHBKWSA-N 507.900 6.734 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccoc2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857533786 ZABSPJOXBSMZHR-OEHRPFMMSA-N 563.474 5.440 50 1 KKGF C[C@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857602410 LLNWCWXOTQNXBY-INIZCTEOSA-N 539.482 8.483 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNc7cc(ccn7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356321943 IARVCFBHGRIWTA-LZIMLHETSA-N 672.913 8.004 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356349981 RQFGLQLPUJCMBP-NSDGHRJDSA-N 545.859 6.223 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356363106 HDHDVRNHSWJXFO-BGPHHBQGSA-N 860.244 6.969 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356388734 PLDRVZNFEHVQMM-CDPXZTDCSA-N 906.180 7.290 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C(C=O)=C4C)C(C)=C3CCC(=O)O)C(CCC(=O)O)=C1C 2356804373 ACAPQWWKRNKKST-UHFFFAOYSA-N 562.626 5.735 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CC[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@@H](O)C1 2356834311 KASQAIMFZKCFJP-MDGBBKROSA-N 887.137 6.312 50 1 KKGF CCCC1=C(C=O)c2cc3[nH]c(c(C)c4nc(c5c6[nH]c(cc1n2)c(CC)c6C(=O)C5)[C@H](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)[C@@H]4C)c(C)c3[C@H](C)O 2356864552 VWEOHHNEPODWTK-JVKBCILWSA-N 813.096 11.826 50 1 KKGF Clc1ccc2c(NCCNC3CCC4(CC3)OO[C@@]3(c5ccccc5)CC(c5ccccc5)=C[C@@H]3O4)ccnc2c1 1550773 HDZDLBNQQBBREK-KZRDDEGVSA-N 568.117 7.258 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@H]4c4ccccc4O)n3)cc2)ccc1Cl 5579468 YJVKYMHMLRIJPY-DHIUTWEWSA-N 576.483 5.674 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 13558230 JWVNQLCXQNERFL-WVFFDDOJSA-N 533.591 7.490 50 1 KKGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 17594808 INDBPULSIXDSCZ-LYPADHFRSA-N 523.998 6.744 50 1 KKGF CC(=O)Oc1cccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4cccc(OC(C)=O)c4n3C)n(C)c12 26152423 LJJMQOMCMBZYNH-UHFFFAOYSA-N 678.792 7.825 50 1 KKGF CCCCC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29241550 GRSIDFUYMUXYLY-IAPPQJPRSA-N 655.575 5.679 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40663185 XWKVZVJGLZEYER-RHJHZWHGSA-N 508.949 6.308 50 1 KKGF O=C(N/N=C/c1ccccc1)c1sc(C(=O)N/N=C/c2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1 49678650 CMIDFKRIEWBYRO-JTOYJDTJSA-N 588.689 6.434 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C1(CC=C(C)C)CCCC1 85544564 MVFYZWUUOBQWJM-JZJKZSKTSA-N 583.854 5.730 50 1 KKGF biogenic,in-vitro CC1(C)[C@@H](Br)CC[C@]2(CBr)Oc3c(Br)cc(Br)cc3C[C@@H]12 140498995 RYAQDKGUGAVXHP-HEHGZKQESA-N 545.935 6.480 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@@H](C3CCC(CCCO)CC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344038 OQSUSEXJEFWYDB-MUVMOAHBSA-N 965.292 9.008 50 1 KKGF biogenic,in-vitro CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 150536450 AQORIEFKNIFUEU-XMBFDQIZSA-N 901.272 7.621 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 160875621 UGRGSIHNBMMWHX-CSFWHYMHSA-N 744.160 5.384 50 1 KKGF C=CCO/N=C(\C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]42OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616951 WGDOECSYODBCCA-GYAJYUJQSA-N 631.807 6.436 50 1 KKGF CCCCCCCCC[C@@H](OS(=O)(=O)O)[C@@H](Cl)CCCCCCCCCCCCCOS(=O)(=O)O 169621825 XKTFVUFBGYNAMG-BJKOFHAPSA-N 565.235 7.423 50 1 KKGF Cc1cc(NC(=O)CCl)sc1-c1nnc2sc([CH-]c3cccc([N+](=O)[O-])c3)c(-c3cc(F)c(Cl)cc3Cl)n[n+]1-2 169720175 AADNAGOZXXREIF-UHFFFAOYSA-N 623.906 6.484 50 1 KKGF CC(C)(C)[Si](C)(C)Oc1cc(Br)cc(/C(=N\NC(N)=S)c2cccc(Br)c2)c1 170136053 ZXEGBMMMBHALFV-MOHJPFBDSA-N 543.401 6.181 50 1 KKGF COCc1c(OC(C)=O)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(COC)c(OC(C)=O)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1 299831729 DYIXJVRWJITQPD-UHFFFAOYSA-N 695.014 9.932 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587039255 DLNWHYMRCPXURD-GJZGRUSLSA-N 500.356 6.929 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)o3)[nH]c2c1 587064359 JOXRLJWIWHPLFN-UHFFFAOYSA-N 529.712 8.475 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4nc5cccc6c5c(c4C[C@@H]32)-c2ccccc2C6=O)C1 587104908 WWNHHEIIUTYAOV-HSFAZFFHSA-N 643.565 7.770 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587325044 BRZHBFHGQKQHBT-XNFLFYSQSA-N 542.434 6.449 50 1 KKGF O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326562 LWWBHGMYOHHFBM-PQHLKRTFSA-N 515.968 6.401 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611100 FJKZQBCFMXYLMN-KKSFZXQISA-N 554.212 5.213 50 1 KKGF CCCCCCC1(CCCCCC)c2cc(CBr)ccc2-c2ccc(CC#Cc3cc(Cl)ccc3OC)cc21 587899041 XNVQZMVBNOVQRL-UHFFFAOYSA-N 606.088 11.045 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc2c1 587950716 UFXPQYDUVOOYNL-KHPPLWFESA-N 517.317 8.946 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1cc2c(cc1Cl)NC(=O)CO2 961775056 IDYTXRUSSJKENB-SANMLTNESA-N 518.441 5.305 50 1 KKGF COC1=COC(CCl)=C[C@@]12c1ncccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962404131 MZWBBWWVJQDBDP-RNAHPLFWSA-N 544.991 5.178 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCl)c1c(C)n(C)c2ccccc12 962998075 RWSJCOKHVLJYBE-HKBQPEDESA-N 565.497 6.297 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@H](CCCBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963035438 HVBANKMNCSPNCF-DNQXCXABSA-N 556.403 6.441 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 963195553 OXGCBCOFXYWUEI-LHXZUMEBSA-N 599.587 7.962 50 1 KKGF C[C@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857569580 QTUYQFWUJQTXQL-INIZCTEOSA-N 533.359 7.150 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)CCCCBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857639700 QBWRKOYBPZWWII-DGKPIJMTSA-N 605.742 9.113 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2)C[C@H](C)O 2356292759 XMNXDYZXSWQDHW-BLWNYPTQSA-N 934.278 9.734 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@@H](O)C4CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356307969 HGHISAPJZDRBBV-DDUYLMDXSA-N 902.236 10.127 50 1 KKGF CC(C)(C)C=CN1CCC[C@H]1C(O[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 2356348080 YKGKHEBBYMDPJV-UMSFTDKQSA-N 531.816 7.361 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@H]1C#CCc5c(cc(OC6CCCC6)c(O)c5OC)[C@@H](O2)[C@@H](O)[C@H]31)C4 2356353004 GBZYPCOFHCQPPY-IQHUZWEKSA-N 700.919 8.451 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCC[C@@H]6C=C[C@@H]7CC[C@@H]8C[C@H]3[C@H](O)[C@H]4C8=C7[C@H]56)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356359044 BTNBNAHHKFNTLU-JBOYQRFMSA-N 928.319 6.961 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C2CCCCC2)Cc2cccc(c2)C1 2356367764 DRXFNYMIVPIAHR-SCXNXZJZSA-N 759.085 6.422 50 1 KKGF CN[C@@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1cccc(O)c1 2356371440 ZNRFJBLBKUIGNB-FHFVYLECSA-N 659.870 8.454 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(CCO)C6)[C@H]4[C@@H]2O)O3)c1O 2356374553 YZTMDSAWMHFVOR-OMMHUVFJSA-N 927.238 8.525 50 1 KKGF CC(C)(C=CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)C3=CC(=O)[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)OO 2356406161 ORHJTDMTWRWOIU-QIUAZVQVSA-N 518.691 5.018 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@@H]1C[C@H](Br)C(C)(C)O[C@]1(C[C@H]1C(C)(C)[C@H](Br)CC[C@@]1(C)O)C2=O 2356559333 GQSXTXLHELBDSQ-OBRKHZNQSA-N 602.360 5.443 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356655172 ZIPHEWXHWGGITJ-BAEXEAKLSA-N 819.055 7.182 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25CC[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@H](O)C1 2356778356 SMCSWNBKJBIVAF-SZLHCGJSSA-N 871.138 7.572 50 1 KKGF C[C@@H]1CC[C@@H]2N3C[C@H]4[C@@H]5[C@H](CC[C@@H]4[C@]2(O)[C@@H]2CCC[C@]4(CC[C@H](Cc6ccccc6)C4)C2)[C@@H]2C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]2[C@@H]5CSSC[C@@H]13 2356859125 SRGWDJXDRXNQGS-QRCFRCTRSA-N 734.169 8.867 50 1 KKGF C/C(=C\c1ccccc1)C(=O)N1Cc2c(cc(I)c(OCCCCl)c2I)C[C@H]1C(=O)O 27713586 RSXWWMDSCLSVRP-ATEOEAFZSA-N 665.693 5.345 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@H](C)CCSS[C@H]1C#CCc5c(cc(OCCC(C)C)c(O)c5OC)[C@H](O2)[C@H](O)[C@H]31)C4 85567762 TWNDEBAHKGIRBP-ORCWTHCMSA-N 702.935 8.554 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OCCC(C)C)c1O 85567801 LAHZAMUNMXIZPN-FMIYLMBLSA-N 666.902 8.626 50 1 KKGF biogenic,in-vitro CNCc1ccc(CO)c([C@]23C=C[C@H]4CCC5=C6C[C@H]7C[C@@H](CO)[C@@H](CCCO)[C@]6(CC5=O)[C@@]7(C)CCSS[C@H](CC2)[C@]42N=C(N)NC[C@@H]32)c1 150342244 VXUJVTATKSQBGU-VQYMCZQESA-N 721.046 5.006 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@@H](O)O4)CCC[C@H](Cc3cccc(O)c3)C1)CC[C@@H](O)CC(=O)CC2 150348339 IURSOCVSJHFFQH-NYWQEKDSSA-N 937.238 6.582 50 1 KKGF biogenic,in-vitro CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](I)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169372287 QALVTSSVBXFBRB-CAPLDWKKSA-N 696.663 5.974 50 1 KKGF COc1ccc(/C(=N/NC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ccccc2)cc1 299827792 RTFXOYWRTBJVAJ-ZBAAIMLESA-N 511.626 5.584 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057584 VNVXFYRFBDVWMH-MTJSOVHGSA-N 592.324 8.683 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCC3=O)cc2)[C@H]1c1ccc(F)cc1 587322167 LMNFJFADVFRQSK-AZGAKELHSA-N 510.359 5.307 50 1 KKGF CCCCCCCCc1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327015 OCVAZFZSKVYNGM-IGYGKHONSA-N 509.061 8.318 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br 587558254 VWHSIOCCJNLDQJ-KKSFZXQISA-N 577.027 6.811 50 1 KKGF C/C(=C\CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CBr)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]3CC[C@]12C 1772570757 GOXVAWWMLVHRFC-WMWXBDBMSA-N 702.609 8.392 50 1 KKGF COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2OP(O[C@@H]2CSSC[C@H]2OCc2ccccc2)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1772586159 OKKQBSKAJFVDDH-CXDOASGZSA-N 916.112 9.667 50 1 KKGF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]53OO4)[C@@H]2O 1857649507 UNTXWEQRYFCLSI-CMURYWKTSA-N 667.840 5.538 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(Cc2ccc(F)cc2)s1 1911581125 HONZQRXQUGJTPM-NBVRZTHBSA-N 555.012 5.235 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)CC2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356308572 DSSHVYMOFNQHCC-XUEHKYFNSA-N 668.022 8.595 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@@H](CC=CCCC3CCCCC3)C2)[C@@H]1CC(=O)O 2356320158 JRFGDUWPWCOPAD-OJXIXFHPSA-N 676.045 9.647 50 1 KKGF CCCOc1c2c(c(CO)c3c1C(=C1CCC(=O)[C@@H](c4ccc5[nH]ccc5c4)C1)C(C=O)=C(C(=O)OCC)O3)O[C@H](C(C)(C)O)C2 2356367976 HQUJXVBFAXHZBC-DFHRPNOPSA-N 629.706 5.222 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C(O)C=O 2356453011 LUNIXWYODXOZGF-UHFFFAOYSA-N 745.359 18.982 50 1 KKGF COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@H]6O[C@@H]7OC[C@@]8(C[C@H](OC)[C@@H](O[C@@H]9C[C@H](OC)[C@@H](O)[C@H](C)O9)[C@H](C)O8)OO[C@@H]7[C@@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O 2356471902 FDBYPFLHFZCXCR-HBHFDWNQSA-N 923.103 5.123 50 1 KKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@H](Br)[C@@]3(C)CC[C@@H](OC(=O)c4ccc(O)c(c4)C[C@H]12)C(C)(C)O3 2356527671 GBMOKJSIQVZHEU-YOTWSEIZSA-N 584.389 7.101 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@](NC(=N)NCCCCO)(CSS[C@@H]3CC[C@H]12)C4 2356573652 VZCWLRJTLWLJPC-WXRWHPSASA-N 837.074 6.561 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]2SSC1 2356633376 VUUPOJPHCRSYIT-KSLGRUMXSA-N 750.215 12.857 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@@H](SSC4)[C@@H](C3)C[C@H]12 2356633377 VUUPOJPHCRSYIT-NALXDWDCSA-N 750.215 12.857 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4CC5=C[C@@H]6C7(CCCC7)CC[C@@]6(C[C@]6(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]6O)c3ccnc(c35)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356734461 QBULKGWWWRHSPY-LUAWJJBLSA-N 879.066 5.961 50 1 KKGF C[C@@]1(C2CCCC2)CC[C@H](O)[C@]23[C@@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CC[C@H](Cc5ccccc5)C[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@]3(O)CCC1=CC(=O)OC1 2356739578 KPNPXRWTOGYWEP-KBBSJRKVSA-N 949.373 11.263 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC 2356756317 QMUKZXOQSABDPR-WKDMYEQZSA-N 757.211 9.594 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356769189 YFVKETPDTZRPQT-FODQWCMZSA-N 775.084 5.658 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC3)CCC[C@@H](CC1)[C@H](O)C2 2356771079 PDZPNXJERVDUOH-ODTWQIFBSA-N 995.450 11.874 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356777984 JMHPYFFUTOXRLZ-ZWVCWCRFSA-N 829.094 8.915 50 1 KKGF O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@@H]21 17433713 HLLGIHOHYYUOEV-DIMAQAOGSA-N 525.970 6.240 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCC/N=C(/N)NCCCc4ccc(N(CCCl)CCCl)cc4)[C@H]3[C@@H]1CC[C@@H]2O 27216877 NSIIITYYFSMWRF-OTFOEYGASA-N 671.798 7.607 50 1 KKGF CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(=N)[C@@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N 71329041 IQFAPPRWTJVWJW-OAQYLSRUSA-N 515.180 5.217 50 1 KKGF Cc1ccc(C2OOC(c3ccc(C(=O)NCCNc4ccnc5cc(Cl)ccc45)cc3)OO2)cc1 72175170 KIZPOKFJTAIQDI-UHFFFAOYSA-N 505.958 5.646 50 1 KKGF Cn1nc(/C=C\C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1/C=C/C(=O)N1C[C@@H](CCl)c2c1cc(N)c1ccccc21 82182112 POHRJBWHCNNYHG-GKOHYBSRSA-N 651.598 6.656 50 1 KKGF C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1ccccc1 85549381 AHYUEYJOUFLGQN-YWTCFNHWSA-N 611.918 5.530 50 1 KKGF biogenic,in-vitro CNCCOc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@H]1CCO 85568413 OPOPURQPHRKYOI-RUGHCWFCSA-N 639.792 5.610 50 1 KKGF biogenic,in-vitro O=C(NCCCCCSSCCCCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)/C(Cc1ccc(O)c(Br)c1)=N/O 95538246 LVWSHZNFGYOGJY-IENBMRAWSA-N 748.560 6.023 50 1 KKGF COc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1OC 98084913 APRFGTXUHHGVIV-IUKPKNIOSA-N 563.630 5.145 50 1 KKGF CN(C)c1cc(CNCCSSc2ccccc2[N+](=O)[O-])nc(CNCCSSc2ccccc2[N+](=O)[O-])c1 143559666 CTPLYQNONJZCMZ-UHFFFAOYSA-N 606.821 6.024 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CN=C4[C@@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 169715231 MYYLULRVFXQYTI-NKWITCALSA-N 562.982 7.153 50 1 KKGF O=C1c2ccccc2C(=O)[C@H]2NC(CCCCCSSCCCCCC3=N[C@@H]4C(=O)c5ccccc5C(=O)[C@@H]4N3)=N[C@H]12 195517526 UDMROSGADNIYNT-LAJGZZDBSA-N 602.782 5.125 50 1 KKGF O=C(OCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 221629116 OSQPPGTYKIFNTH-UHFFFAOYSA-O 599.728 7.855 50 1 KKGF Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586948506 JDNDAJFAMXKITN-UHFFFAOYSA-N 568.387 7.759 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2c1 587051086 OOSQXNSMAIPQLD-UHFFFAOYSA-N 534.131 9.217 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587069639 FVUHNCIXXAXMSU-RMKNXTFCSA-N 565.789 9.386 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)c(Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191257 RTSFRPNVILKBLB-IROVJIRSSA-N 630.657 7.902 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327073 OJEUNCGDVHRAKN-OROUXDPNSA-N 730.233 6.053 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1cccs1 587377728 SQBVMRCTSFBFHL-XTEPFMGCSA-N 510.030 6.747 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)(C)C)cc1 587544626 OQGXKKXIQYZUMN-DHIFEGFHSA-N 516.037 7.193 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C(Br)(Br)CBr)N1 587669505 DQRGFJKTQBTFPO-KBUNVGBDSA-N 508.849 5.045 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]12C=C1CC[C@H]3[C@@H]4C[C@H](Br)[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]1(C)CC2 962047313 URGKWLFRUMKUAA-WOPZRWBISA-N 760.770 5.230 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)N[C@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 962635025 NSXXWDWWGXCLAO-YHYVBOEZSA-N 998.139 6.609 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C)cc1)([C@H](Br)C(=O)c1ccc(C)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962706965 MVPVYQIRPKJYRS-CWTKIQHKSA-N 666.534 7.928 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]12C(C#N)=COc1cc(Cl)ccc12 962991533 KLWNLYQCUKSKMG-GDLZYMKVSA-N 549.410 5.712 50 1 KKGF Cc1cc([C@@]2(CCCCCCCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)ccc1F 963140120 JCBZDJUKDVXGSW-CPJSRVTESA-N 511.059 6.270 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(c2cc(C)n(-c3ccccc3Br)c2C)N1C(C)=O 963329338 MGAYJXBYHWDHRQ-DJXSWFIMSA-N 880.214 7.142 50 1 KKGF N#CC1=C(c2ccc(C(F)(F)F)cc2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772596039 BRMKRFSADUZRAB-OAQYLSRUSA-N 536.394 6.682 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(=O)c3ccc(C(=O)C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911570702 LOMRXMVDZARJGA-HPWHWVSTSA-N 694.862 7.333 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@@H](O)C1 2356356465 KEPOMKOOYCZBRL-XAGXXBEHSA-N 885.121 7.054 50 1 KKGF C=C1C=CC=C([C@@H]2[C@H]3CCC[C@]4(O)CCC(=C(C)C=O)[C@@H](CCCO)[C@@]4(C3)[C@@H]2O)COCC#CCC(C)=CCC1 2356371687 ODENFNHLXBCPNW-AJCMNXFGSA-N 548.764 5.772 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@@]34C)[C@@H](O)CC1=C1CCCCC1 2356371945 UMEJQVNUJLOCNC-YVKWVLODSA-N 753.128 8.094 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356420578 GTNWJJTZQLWLEN-UELQJCDLSA-N 739.778 11.048 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1[C@H](O)C(=O)O 2356471512 YMYYGTOIPCUGBB-PDGDLWNHSA-N 716.019 5.508 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)NCC2=C[C@H]1CCC2 2356564368 MMORFHDQAMJRTE-RDRRTQAFSA-N 813.133 6.336 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@H]2CCCC[C@@H]2CNC)Cc2cccc(c2)C12CCCC2 2356715715 PIXSGLHIOYCJGE-YVSVKZITSA-N 996.428 7.624 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](CCOC)(C2CCCCC2)NCC2=C[C@H]1CCC2 2356775366 MEVQWYPZSYYZCY-AHXCOKQPSA-N 925.305 7.300 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSSC[C@@]3(CO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356777441 VVIBUPALDZALMU-ZIPOIPTBSA-N 711.899 6.526 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O 2356778320 RLHONFSRUWCIHA-PFKZPUKOSA-N 931.234 8.595 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 43322200 GFVXUJAOFLGABH-DNGNCRRQSA-N 581.464 5.388 50 1 KKGF CC(C)(C)OC(=O)Cn1cc(/C=N/NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c2ccccc21 84586859 PEORWHANOJRIJZ-VTNSRFBWSA-N 553.688 5.775 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CCCCCC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 95607536 WGVWKOGGAZAROY-ATCXSEMKSA-N 618.764 6.104 50 1 KKGF CCCCCCC[C@H]1[C@H](CCCCC)CC[C@@H](CCCCCCCCCN=C=O)[C@H]1CCCCCCCCCN=C=O 100051310 AMUBKBXGFDIMDJ-UXWDSZNOSA-N 586.990 12.099 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)c1nc(C(=O)NNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)OCc2ccccc2)cs1 150592263 XEOQUPGSMNYGGN-ACHIHNKUSA-N 693.826 6.609 50 1 KKGF CC1(C)Oc2ccc3cc(CBr)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 169370320 OSKOMDXPCLXILM-CQZRATFBSA-N 715.590 5.599 50 1 KKGF C[C@]12CC[C@H]3[C@H](CN=C4[C@@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 169715233 MYYLULRVFXQYTI-SDCPMMJXSA-N 562.982 7.153 50 1 KKGF CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](N3C(=O)NC(=O)C[C@@H]3[C@@H](O)c3ccccc3)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195476944 LCVKRPARHSQQEA-UXLGTYSXSA-N 578.855 5.102 50 1 KKGF COc1cc(OC)c([C@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(O)cc2)c(OC)c1 211522364 UBMQFEPVRWEBRN-AREMUKBSSA-N 574.790 7.795 50 1 KKGF OCc1ccccc1-c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586895070 NLIQRTMKJSPNIE-UHFFFAOYSA-N 505.306 7.809 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccc(-c4ccc(Br)cc4)o3)nc2c1 586996982 AFFJDXFTAXZXJI-VURMDHGXSA-N 570.175 9.176 50 1 KKGF Cc1c(Br)cnc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587055070 JNKJUZMIRGTHNB-OVCLIPMQSA-N 501.215 6.807 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498941 QYELSLQTESGEAJ-NDEPHWFRSA-N 506.385 5.850 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 587687341 ZZXSCCGWLAQPNR-YEBMWUKDSA-N 567.242 6.153 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1c(NC(=O)[C@@H](C)Cl)cccc12 587687421 GOZQBYVDUXIOCG-UPINHGDLSA-N 527.821 5.525 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2Br)N1 587725645 FSKYPFPKHXJSRS-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc3c(c1)CCO3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962667979 ANKZZDKIDWOFSL-HHHXNRCGSA-N 576.409 5.995 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@@H](Br)C1 962949797 COTYGXBVOFGCMZ-KFCXZAFISA-N 533.429 5.393 50 1 KKGF C[C@H](Cl)[C@]1(c2c[nH]c3ccccc23)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963197788 OFINKFUFNTUPKC-SWSHJDBWSA-N 567.041 6.892 50 1 KKGF C=C(C)[C@@H](Br)C[C@H](Br)C(C)=CC=NOCc1c(F)c(F)c(F)c(F)c1F 2356306017 AABFPTARQKBOHY-RYUDHWBXSA-N 505.119 6.324 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC2CCCCC2)c1O 2356368819 AITCVLAQXITDRU-DGDOSRAYSA-N 708.939 8.275 50 1 KKGF CC1=C(CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]32C)[C@@H]2[C@H](C[C@@H]1OO)[C@](C)(O)CCC2(C)C 2356431124 CXYXLYVALJRWSW-OEMZMCLESA-N 508.740 5.634 50 1 KKGF C=C1CCCC=NC[C@H](C)[C@H](C)CCCC=C(C)COO[C@H]([C@@H]2C=C(C)C(=O)O2)CCCOC[C@](C)(O)CCCC1 2356520243 FSKQAQWZTWBTFJ-YVNNRUMDSA-N 575.831 7.483 50 1 KKGF 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@]5(C)[C@H]4CC[C@@]32C)O[C@]12C[C@@H](C(Cl)Cl)[C@@H](C)CO2 2356564780 CHKSBIWGMUSRLX-FNLNRFTESA-N 513.546 5.715 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356814828 CLOLZMKPRGYBQR-PRCJNVOVSA-N 869.027 6.603 50 1 KKGF O=C(N/N=C/C=C/c1ccccc1)c1ccccc1Nc1ccccc1C(=O)N/N=C/C=C/c1ccccc1 38797160 GJYVKGCNQSPMNZ-FLBAODLISA-N 513.601 6.288 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc([N+](=O)[O-])ccc43)cc2c1 49694393 IGEXYFMZPKZJQH-INIZCTEOSA-N 537.960 5.061 50 1 KKGF O=C(NNC(=O)c1ccc(-c2ccccc2COc2cccc(C(F)(F)F)c2)cc1)C(=O)c1c[nH]c2ccccc12 72173241 RWHWCXWOAWCNNW-UHFFFAOYSA-N 557.528 6.077 50 1 KKGF O=C(O)c1cccc(C(=O)NCc2ccc(C(=O)NNC(=O)[C@H]3O[C@@H]3C(=O)N(Cc3cccc4ccccc34)Cc3cccc4ccccc34)cc2)c1 96130581 ADDMSYZAHVOJKO-BCRBLDSWSA-N 706.755 5.379 50 1 KKGF CCCCCCC[C@@H]1[C@@H](CCCCC)CC[C@@H](CCCCCCCCCN=C=O)[C@H]1CCCCCCCCCN=C=O 100051311 AMUBKBXGFDIMDJ-ZPAWJIGKSA-N 586.990 12.099 50 1 KKGF COC(=O)[C@H](CC(C)C)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 103231901 QAUOKETXAHOAGX-KAQRXJTJSA-N 618.859 6.910 50 1 KKGF COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(/C=O)CC/C=C(/C)CC/C=C(/C)C3)cc3c(c12)OCO3 111960815 CNCKKGCRDGSHDH-XEJCRHFRSA-N 557.599 7.146 50 1 KKGF CCOC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(F)c4F)cc3F)c3c(N)ncnc32)C1 149840283 YBNBWNZKXLVIFP-YWXUCKCNSA-N 605.621 5.714 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@H](O)C2)CC3=O 150348628 ZCJTYOZRTOZWOO-WHXKWYDPSA-N 985.415 10.081 50 1 KKGF biogenic,in-vitro CCCC[C@@]1(OC(=O)CCC(=O)O)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O 253667159 KVWVWZNHFKONQL-OOQCOODVSA-N 775.065 9.161 50 1 KKGF C=C(CCl)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](OC(C)=O)[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 473165417 BSDPWKCXSKOLMI-LLYZNETQSA-N 515.178 7.770 50 1 KKGF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587065613 VQFANBGEBXZPJU-UHFFFAOYSA-N 521.689 7.036 50 1 KKGF O=C(N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 587166579 FBAGDNCEGVRCJL-MHZLTWQESA-N 603.588 9.182 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191812 YDDVVJDJDQJYEC-YEXLVFSCSA-N 697.761 8.632 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCc1ccccc1 587226281 WHWVETVQRJMOGY-IHLOFXLRSA-N 701.718 7.102 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320096 DTPMNYPGCDOSNQ-NZQKXSOJSA-N 526.185 6.496 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 587324670 SQPIGEVOFFZVAH-UNQQWELDSA-N 524.419 7.474 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(c1ccccc1)c1ccccc1 587688786 OEPRLFDCHPZXLJ-WWOZWPLTSA-N 551.931 7.661 50 1 KKGF CC[C@@H](Cl)CCn1cc([C@]2(C3C(C)(C)C3(C)C)c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N2C(C)=O)c2ccccc21 961956013 XJEROVXOZUYIAK-GEEQKFIFSA-N 697.320 6.666 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc2c(c1)OCCO2 962570269 KSYYDIFLMUMCKO-FXBDCZLJSA-N 676.169 7.003 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCCCCl)(c1cccc(C(F)(F)F)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635107 UFOBFNAFOSHGGW-WNCULLNHSA-N 554.005 6.807 50 1 KKGF COc1ccc2c(c1)OC=C(C=O)[C@@]21c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962676237 KMECGBPALGGEOH-NDEPHWFRSA-N 539.506 5.149 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccc([C@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c(F)n2)C1 962730168 MEVPRVLSCRJDOP-FHZYATBESA-N 537.674 5.804 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949126 BIMWQHYMSNNZTP-VKGTZQKMSA-N 529.002 6.215 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)c1cc2c(cc1NC(=O)[C@@H](C)Cl)OCO2 962999230 UEZPFAFJGNQRTF-OKXSDPAFSA-N 613.494 5.573 50 1 KKGF Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)c4ccoc4C[C@@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c2)cc1 963205702 XLSQWKPNCPRYDF-MFACQUFMSA-N 657.144 6.369 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2ccccc2S(C)(=O)=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368049 OXJMDTYBWHAFSE-NHZFLZHXSA-N 676.585 5.783 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1cccc(Br)c1)c1ccccc12 1772583787 KGOIUQAHULZWDW-BHVANESWSA-N 677.522 6.199 50 1 KKGF O=C(N/N=C/c1ccc(-c2cccs2)s1)c1nn(-c2ccccc2)c(=O)c2c1cnn2-c1ccccc1 1772606960 LXJAMPXFNUCWBX-LQKURTRISA-N 522.615 5.125 50 1 KKGF COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCC(=O)OCCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1772630572 FKHYGNUJGZTVLQ-YAYIQTBWSA-N 762.735 5.686 50 1 KKGF CCCCN(CCCC)c1ccc(/C(C)=C/C(=O)O)cc1NC(=O)N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857597853 GIQHXWCRJGZAPU-KHZDBLROSA-N 586.577 7.774 50 1 KKGF C[C@H](N)C(=O)OCCN(C)/[N+]([O-])=N/Oc1cc(N2CCN(C(=O)[C@]34CCC(C)(C)C[C@H]3[C@H]3C(=O)C=C5[C@@](C)(CC[C@H]6C(C)(C)C(=O)C(C#N)=C[C@]56C)[C@]3(C)CC4)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-] 1857761306 PVFPSXUEANDVSC-PRNNQJOESA-N 930.073 6.365 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356292753 XAAJSOHTYDHHLY-ULOFCVEISA-N 929.307 9.029 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@]2(C(=O)OC)OO[C@H]2C4=C3C)C(CC)=C1C 2356304940 KYNYKHQLJCCCDE-YGFCJVJSSA-N 885.203 12.487 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](O)SSCNc6cc(ccn6)CC3=C4C(=O)O5)[C@H]21 2356316042 YFRPANFFQCYOOR-QYBJOYLMSA-N 592.783 6.444 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@H](CC)C1)C3 2356365597 OPEBGPVYIOESDE-CXPKRPOWSA-N 800.946 5.168 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCCO)c1cc(CO)c3c4c1C[C@H](CO)C[C@@H]4CC[C@H](C(C)=O)N3)CC(=O)CC2 2356393436 KATZATUJIVNKMN-PHBKJHPDSA-N 929.211 7.983 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)C=C[C@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356464629 QIAVPOYGBUSCFA-PTNKFMOISA-N 873.058 9.571 50 1 KKGF CCO[C@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@H]1C(=O)[C@]3(CC=C(C)C=O)OC2(C)C)OC(C)(C)C=C4 2356499624 IKFKEJSONUWRCD-KEUPLOAXSA-N 590.713 5.722 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@](C)(CCOC)NCC2=C[C@H]1CCC2 2356637446 SGXNXTAOWPLVQH-STLMBICLSA-N 857.186 5.739 50 1 KKGF CO[C@@H]1C=CC=C(C)C[C@H](C)[C@H](O)[C@H](C)C=C(C)C=C(C)C(=O)O[C@@H]1[C@H](C)[C@H](O)[C@H](C)[C@]1(O)C[C@H](OC(=O)C=CC2=CC(=O)OC2=O)[C@@H](C)[C@H](C(C)C)O1 2356716454 NCGWSFZKZKXDRF-RXAWOXJLSA-N 756.930 5.226 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)CCCC(C)C 2356768192 NGNSIQFBJPYTHZ-PEINCPOXSA-N 556.828 6.777 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@@H]2O)c(O)c(OC)c1O 2356774348 VWXOTNYUOSVPQR-WXQGRYFPSA-N 712.883 6.344 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCCC[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356775798 BMRJBKBEGSYTHY-OCDJCYJESA-N 918.272 7.653 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1C1=CCN=C1 2356829758 JBRSDHOHTQLFBM-QCKYSKDDSA-N 801.960 5.365 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356858196 SXDSRTWPELZSGX-VUIWOHRTSA-N 941.318 8.170 50 1 KKGF COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C\CCCCCBr)OCO2 6041491 AGMYPZSHWNZLEM-OVCLIPMQSA-N 512.400 5.652 50 1 KKGF COc1cc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2ccc(Cl)cc2)cc(OC)c1OC 45347970 MKNBYEROSHNHBQ-KVSWJAHQSA-N 508.884 5.287 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@@]3(NC(=N)NCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 85597185 FAVWPUDGBCKLJQ-KXQYDUQUSA-N 797.009 5.782 50 1 KKGF biogenic,in-vitro Cc1ccc([P+](Cc2ccc(C(=O)c3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccc(C)cc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1 95537378 DDAZXGALGPCCEK-UHFFFAOYSA-N 760.898 10.523 50 1 KKGF O=C(CC(=O)NN(C(=S)C1CCCCC1)c1ccccc1)NN(C(=S)C1CCCCC1)c1ccccc1 96929534 OJLYIOHRGTUYON-UHFFFAOYSA-N 536.767 6.268 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1cccs1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 102986244 OWSVDHWIBGVHED-DNMMUFNISA-N 511.459 6.641 50 1 KKGF C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 150349176 HUNCTGRVANFWOW-FUSADTGJSA-N 933.273 11.240 50 1 KKGF biogenic,in-vitro CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C 169291988 QSBKSFLMMQOILO-AQCLMGBYSA-N 534.693 7.064 50 1 KKGF CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@H]2S(=O)(=O)c1ccccc1 195765522 SWWCJTUVSXJESY-FLBADVGZSA-N 613.874 5.956 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299842848 YCOIJPSIDUQDNN-QIOGAKCVSA-N 812.448 5.694 50 1 KKGF COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c2c1 474608457 MBAQHIKTOFDTQI-XJNKMPFGSA-N 622.759 5.129 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Cl)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190375 KRBYEEIKOTWNDP-KURQEFGWSA-N 597.200 6.643 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323757 SYFCWLVTRREJNT-RJZKYMFLSA-N 515.331 5.033 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(Cl)c2Cl)[C@H]1c1ccc(F)cc1 587328758 CLIFXAYNCVKEOG-AVRDEDQJSA-N 514.149 6.627 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)(F)F)cc1 587333615 WPWQSBGTZRYPNG-IXCJQBJRSA-N 559.943 7.331 50 1 KKGF O=[N+]([O-])c1ccc([C@]2(CBr)c3ccsc3CCN2Cc2ccco2)c(Br)c1 962700181 CDYAJNQMRNWLRB-LJQANCHMSA-N 512.223 5.709 50 1 KKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc3ccccc23)(c2cn(CCCCCBr)c3ccccc23)N1 962949594 PYXLECNQTHZQQV-MJVKXCJRSA-N 590.609 9.057 50 1 KKGF COc1ccc([C@]2(CBr)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963007802 JXJPEVVYIZNDTH-YIXXDRMTSA-N 553.840 5.620 50 1 KKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963011772 OJGVXSWGMCLOIH-QRXMAOTDSA-N 578.496 6.583 50 1 KKGF Cc1cc(C)c(C)c([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c1C 963063255 CSPQUAGZDXOSFU-JYUFKMNQSA-N 541.088 5.881 50 1 KKGF Cc1cc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)ccc1Cl 1772584935 HUJQZGIRUYGBOO-JOCHJYFZSA-N 516.869 6.625 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCn4cc(CNC(=O)CCCC[C@@H]5CCSS5)nn4)cc3oc2=O)cc1 1857746141 ZIAIQHZQKCLUEE-AREMUKBSSA-N 594.759 5.860 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cn(-c4ccc5c(C(F)(F)F)cc(=O)oc5c4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857746620 NCHYQLLMTCGULP-KZPOFCNNSA-N 577.556 5.117 50 1 KKGF CCCCC[C@H](C[C@H](CCc1cc(OC)c(O)c2c1CSSCNc1cc(ccn1)C2)OC(C)=O)OC(C)=O 2356293720 PHDUFYZRSJDTLI-RPWUZVMVSA-N 576.781 6.417 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(NC(=N)N)CSS[C@H]4CO)O[C@@H]21 2356297474 UXDVXSBLVRZNEZ-TYKARNQGSA-N 821.031 5.787 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356299853 HWIKXIWVLZCKPQ-ZPPYOWFESA-N 939.302 8.500 50 1 KKGF C[C@@]12CCSSC[C@@]34CC[C@@H](CC#Cc5ccccc5C[C@@H]3CNC(=N)N4)C3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356351810 GICOMDMIKUTMSE-DZSMSORJSA-N 633.924 5.331 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 2356430626 XIVXPMQGWQOMTQ-MPSDEFDZSA-N 964.260 8.021 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NC1CCCCC1)c1ccc(NC[C@@H](C)O)c(CO)c1)CC(=O)CC2 2356519699 MOQQOAHWYLYLLP-FDQNFCOKSA-N 805.072 8.146 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@@H]4[C@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356541698 GYKGSNGFZDRSDD-LIEVTAOHSA-N 744.171 7.396 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCC4(O)CCCC4)C(=C(C)C=O)CC[C@]3(C)O)[C@@H]2O)COCC#CCC(C)=CCC1 2356617317 XPHWCOOGJHTUGU-XLRUEVMNSA-N 576.818 6.694 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(CCCO)C(=O)O[C@@H]1C3 2356820024 FHKNBUNGMNMQGI-OJVKOOGPSA-N 824.982 5.360 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356844064 SYWKOGGYMMZLJP-MRDMSYCKSA-N 822.131 6.390 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)Nc2nnc(C(C)(C)C)s2)ccc1OCCOc1c(C)cccc1C 13584630 PUYORRFYMDYWPL-XSFVSMFZSA-N 506.628 5.465 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OC[C@@H](O)CO)c3ccccc43)[nH]c2c(OC)c1OC 26501926 OVPDUDJBKVJTPN-GMAHTHKFSA-N 735.146 5.719 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]43 85594612 RPSXSSMBPWATBY-LRQKRCAFSA-N 669.825 5.529 50 1 KKGF biogenic,in-vitro CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@H]3CCl 95550820 DEQTWOWKTWQYEE-PKTZIBPZSA-N 749.692 8.308 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(CCCCC1)OO2)NCc1cccc(CNC(=O)CC2CCC3(CC2)OOC2(CCCCC2)OO3)c1 150595339 HTLCUHNWQCSTCU-UHFFFAOYSA-N 672.816 6.613 50 1 KKGF CCCC[Si](CCCC)(CCCC)O[C@@H](/C=C/C(=O)OCC)[C@H](Cc1ccccc1)O[Si](CCCC)(CCCC)CCCC 195456371 XCDKCRPWOWJDPF-HZRZSJFRSA-N 647.146 11.810 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)c2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 201653446 CVHGDJACUJUWGU-HRFSZSNMSA-N 659.824 6.979 50 1 KKGF CC(C)(/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N(C1CC1)C1COC1 207720435 YDXOXEUWKYKVDD-KZVLXBEFSA-N 636.732 5.090 50 1 KKGF S=C(SSC(=S)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 212328976 WSNVNCZJLVJSCM-UHFFFAOYSA-N 590.994 6.110 50 1 KKGF C=C1CC[C@@H](C(C)C)[C@@H]2/C=C(/C=O)CC[C@@H]3CC(=O)C(C)=C(C[C@@H]4C(=C)CC[C@@H]5[C@@](C)(C(=O)O)CCC[C@]54C)[C@]3(C(=O)O)CC[C@@H]12 238788105 BOICMILQJUYXAE-OLZUWTCASA-N 632.882 8.770 50 1 KKGF CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586935872 JTEPTWIHCKTYAL-OAHLLOKOSA-N 553.984 5.328 50 1 KKGF Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587121846 NKMHFFGUJLNIFG-UHFFFAOYSA-N 501.424 8.218 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 587330799 PBCFRSAHUYRFMM-XCZPVHLTSA-N 543.944 7.451 50 1 KKGF Cn1nc(-c2ccccc2)c(CCl)c1Sc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587896539 OAEVTYRVDDQBKM-UHFFFAOYSA-N 554.930 6.994 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962667656 NWBCMLWZPSGHFS-FKCXQASGSA-N 557.488 5.840 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1c(Cl)cccc1Cl)(C(Cl)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673241 GOTQYIRZLRYBAX-RUZDIDTESA-N 593.256 7.775 50 1 KKGF CC(C)(C)c1nn(C(=O)CCCCl)c2c1[C@]1(c3ccccc3-2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962711805 NDCYRNURXLGDHH-HZAQMHFWSA-N 538.132 6.615 50 1 KKGF Cc1cc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c(C)n1CCc1cccs1 963077086 QGHNMYCCXVWQJE-KWHBQZNLSA-N 612.192 6.370 50 1 KKGF C[C@@H](Br)[C@]1(C2CCC2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963184284 FQAFNVDWGLSLJR-WJWNGFAUSA-N 550.449 6.319 50 1 KKGF CC(C)(C)[C@]1(/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963688311 RVJQYKVTOLWMJZ-IGEKMCCSSA-N 603.075 5.129 50 1 KKGF Cc1cc(C)cc(-n2nncc2CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)c1 1772623648 NDUVKTQEHRUKBY-LHEWISCISA-N 626.680 6.053 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@H](C)NC(=O)[C@@H](F)Cl)cc1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3ccccc23)n1 1911578487 GHVRZAPIGZLQHQ-YHAMSUFESA-N 665.092 5.371 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSC2(CCCCC2)c2c(ccnc2N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(C)C(=O)O[C@H]1C3 2356292562 TZBRZAQFWAYTJE-DHWTXJLGSA-N 730.909 6.769 50 1 KKGF COc1c(Cl)c(C(Cl)Cl)cc2ccc3c(c12)C(=O)c1c(O)c2c(c(O)c1C3=O)[C@](C)(OC)OC2=O 2356328348 SWCJMEFTOZERMB-XMMPIXPASA-N 537.735 5.154 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356365547 NTUFHXNPEPSSFI-UMXIEACQSA-N 787.139 7.120 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356369162 VXCVXQNWRVCDLE-KYPFKPPBSA-N 801.166 7.510 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](C4(CCCC4)SSC[C@H](n4ccnc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c2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356844063 SYWKOGGYMMZLJP-ISVQENNVSA-N 822.131 6.390 50 1 KKGF COc1cc(N2C(N)=C(C#N)[C@@H](c3c(OC)ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 49694622 FDOOGXOOASUMCP-NDEPHWFRSA-N 539.632 5.815 50 1 KKGF COc1cccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cc(Cl)ccc3n2)c1 49746230 QQCYPRPPZBCJEL-UHFFFAOYSA-N 543.882 7.492 50 1 KKGF COc1ccc([P+](CCCCCCCCCCC2=C(C)C(=O)c3ccccc3C2=O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 84617179 NZKXAGQVGQQRLR-UHFFFAOYSA-N 663.815 8.913 50 1 KKGF COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Br)s1)C(=O)OC)NCCC(=O)c1ccc(Br)s1 95546975 HXXAURMVKLBXFN-HZPDHXFCSA-N 730.588 5.604 50 1 KKGF CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 95617678 KASDHRXLYQOAKZ-KDCWXYOMSA-N 810.466 5.719 50 1 KKGF fda C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNC(=O)Nc3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 98082720 VXEKTUOUXGSHDW-YOGGEQNGSA-N 514.541 5.052 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3ccc(Cl)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169313277 IOWHTVMRMOJNEW-DWNPJKEUSA-N 732.311 8.148 50 1 KKGF CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C 169366394 LCJOSIBQVUSWIH-QHNOFHTGSA-N 534.693 7.064 50 1 KKGF C/C(=C\C[C@@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 195063187 IQZRDEYKPNMTKJ-HPESSHCISA-N 501.151 8.588 50 1 KKGF O=[P@@](CCOc1ccccc1OCC[P@@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 195425178 NQVLIKGROOEJAR-HOAYPZFFSA-N 946.964 6.114 50 1 KKGF CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O[Si](C)(C)c3ccccc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 253697507 BOEYZKMFZUXYFF-PAAPKKGPSA-N 988.172 5.872 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@@](=O)(O)[C@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 261121885 JPTZDOYPNCQOTF-WOCSTVOOSA-N 816.679 6.588 50 1 KKGF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@@H]2C1(C)C 587239394 JZWBVTDFBKTLKJ-PKQAIAMASA-N 576.426 7.538 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 587330797 PBCFRSAHUYRFMM-IXCJQBJRSA-N 543.944 7.451 50 1 KKGF COc1cccc(-c2cc(-c3sc4nc(C)cc(C)c4c3NC(=O)CCl)nc3c2oc2ccccc23)c1 587365957 IYIVLIZLXJMDGY-UHFFFAOYSA-N 528.033 7.727 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N=Nc2ccccc2)cc1 587537889 LJJRLACKJSHMBX-SQHAQQRYSA-N 515.363 7.060 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br 587676009 DONDWXLJRYUJIT-JBEBIEQOSA-N 554.729 7.083 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCCCCCCl)c1ccc(F)c(Cl)c1 961782587 YOFOADQFQXCZGH-LJAQVGFWSA-N 535.531 8.063 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)c3ccsc3CCN2Cc2cccn2C)cc1OC 962395504 DGMASBVELIFPPX-FIRIVFDPSA-N 625.585 6.069 50 1 KKGF CCc1ccc([C@]2(CCC(=O)Cl)c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1 962678670 MMWVNCUQHJSJSJ-GDLZYMKVSA-N 560.012 6.773 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@H](c2cccc(OCCBr)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963077372 OPXWKDANESCQEC-XPSQVAKYSA-N 784.596 8.506 50 1 KKGF CCN1N=C[C@]2(c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](Cl)C1=O 963079372 KFQKIHUTAGZCIY-JRJABSJZSA-N 730.110 6.294 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963202477 ZMQLBHRTYYKXNH-RJWMVNQGSA-N 612.826 5.865 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@]2(C(C(=O)O)=NN(c3cccc(Cl)c3)C(=O)[C@H]2I)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381208 RLPVUJUEDXZIBO-NHRDYHFISA-N 791.982 5.881 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1c(Br)cccc1I)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808597 SEPVRYFMVJVBCE-MUUNZHRXSA-N 738.214 6.458 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C3CCCCC3)CSSCNc3cc(ccn3)C2)CCCC1 2356393932 YGKXZBWHQCIKTG-BXKWDAJGSA-N 698.995 9.856 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 2356435587 HLNBKOPLEPRLGJ-WJGIFUDGSA-N 666.858 7.105 50 1 KKGF C[C@H](O)[C@H]1CCc2ccccc2Cc2cc(O)cc(c2)C2(CCCCC2)[C@H]2C[C@H](CSSC1)C[C@H]1[C@H]2CCC[C@]12C=CC[C@@H](C)C2 2356451059 SCXUEEWLUHQBFN-IPRQUVFYSA-N 659.058 10.925 50 1 KKGF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)NN(c1ccccc1)c1ccccc1 2356732624 LJDJHYHISCPTMX-NSGJQZOKSA-N 504.715 7.289 50 1 KKGF CO[C@H]1C[C@@H](C[C@@H]2O[C@H]([C@H](C)C(=O)OO)[C@H](C)[C@H](OC)[C@]2(C)O[C@H]2CC[C@@H](OC)[C@H](C)O2)O[C@]2(O[C@](C)([C@@H]3CC[C@H]([C@@H]4CC[C@H]([C@@H]5O[C@](C)(O)[C@H](C)[C@H](O)[C@@H]5C)O4)O3)[C@H](OC)[C@@H]2C)[C@H]1C 2356774973 GJYVPDGCHSDXJJ-IUJDYWHQSA-N 931.167 5.175 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356776159 QXZHAOLQVVEYKP-GOYGZZOKSA-N 847.058 5.938 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@@H]([C@H]3CNC(=O)C34CCCCC4)C1)O2 2356811317 BMXSJWCMVCVKGF-PWHLMXRZSA-N 936.068 5.426 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6cc(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@H]3O7)C4)N[C@@H](N)C=C5)C1)C2 2356819464 FBTWBLUFDCMQDO-XRABXVIMSA-N 976.274 10.093 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@]4(C=O)OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCCCc6ccccc6C=CC5)CNC[C@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356819888 FGAWZSLQHORRCI-SQYJFRKASA-N 936.074 5.619 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3[C@H]1C=C[C@H]4CC1 2356821788 GETDGDJEINETKW-AOORSVRWSA-N 845.016 6.725 50 1 KKGF COc1ccccc1[C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@@H](O)c1ccccc1OC 28218248 UWHKWKADTIIEMT-ROJLCIKYSA-N 650.996 5.331 50 1 KKGF Cc1cc(OCc2c(-c3ccn(C)c(=O)c3Cl)noc2[C@@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622153 IUZNHDFGXNJAHF-MRXNPFEDSA-N 566.441 6.738 50 1 KKGF Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(Br)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84724942 GOPDIOJMAHFDSH-XMMPIXPASA-N 562.899 6.723 50 1 KKGF CCSC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 95605632 IMFKFOAHXOIDHO-OFJYFGCMSA-N 533.775 5.831 50 1 KKGF Cc1c(-c2ccc(OC(F)(F)[C@@H](F)Cl)cc2)sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1C 103203305 YENBHWQEEDQQJZ-JOCHJYFZSA-N 530.374 7.793 50 1 KKGF CC(=O)O[C@@H](CC[C@](C)(O)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@H](C(C)(C)O)O1 136699952 IXKSFJQVWRDNPC-VLZUFLKHSA-N 647.688 5.754 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(CCCNc3ccnc4cc(Cl)ccc34)CCO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169311977 DGLWXPQDRLJTLE-XKBQVDFHSA-N 856.498 8.441 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 169371188 LVNIVSXQDMREEM-CKMHUJCXSA-N 719.703 5.633 50 1 KKGF C[C@H]1CC[C@H]2[C@H](C)[C@H](CC(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]64OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169615614 CRSJHIRCVZDTHB-JWLUOBFESA-N 832.066 7.556 50 1 KKGF COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)C)CC(=O)N1[C@H]2CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195275670 UDNAMAJXYMRWKL-YZNIXAGQSA-N 660.884 5.252 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 253635173 CUIGPZVXPKTCJE-RXKXISKDSA-N 537.623 7.543 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1C 587378068 UDZHTQUEPYFFAJ-QFQXNSOFSA-N 531.989 5.530 50 1 KKGF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CBr)cc21 587537444 FMXIANLPYXYVQM-CUBQBAPOSA-N 513.343 5.737 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)([C@H](Cl)C(=O)c2ccccc2Cl)N1 587688258 KDJJKRLLUFVEON-DHTHFVMWSA-N 541.675 7.163 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587858418 QFQVRUULHLQFOF-QWXGXRTQSA-N 547.921 6.532 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)c1oc2ccccc2c1NC(=O)[C@H](C)Cl 962987163 LYDLOMVRELITND-GTJUCTONSA-N 609.506 6.590 50 1 KKGF COc1ccc([C@H]2c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OCCCCl 963079759 PLUDFCHNCLFJLQ-PJKFIHJXSA-N 784.198 8.749 50 1 KKGF CCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772627386 LJLORIMRLLORHA-PTOUBYJZSA-N 647.765 8.571 50 1 KKGF CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(Cl)cc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1857626982 ZRKXDJVIRCCIJT-QESDUEBXSA-N 976.521 5.680 50 1 KKGF CCCCCCCCOc1nc(-c2ccc(Cl)c(Cl)c2)n(-c2ccc(NC(=O)CCl)cc2)n1 1857751807 LXXPCCZJCZARED-UHFFFAOYSA-N 509.865 7.158 50 1 KKGF C[C@@]12CCSSC3(CCC4(CCCC4)CC3)[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356357242 RDUGIGDGYPQHKY-YLNZKNJFSA-N 629.977 6.754 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@@]35C 2356358267 OBRCFHXRJRLZHW-HAADYMMPSA-N 906.261 7.306 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356554261 MYRMEXVYTNATGB-JKTJMYDOSA-N 877.135 7.107 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCN[C]3C=C(C=CN3)C23CCCC3)CCCC1 2356580107 LHLPHYDSHHILHG-DPKFDFQZSA-N 759.071 8.226 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)cc(OC)c1O 2356619327 BJYFBYIHRWOECL-KCFIPLIUSA-N 666.858 6.961 50 1 KKGF COc1cc2c3c(c1OC)OOc1cccc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3NCC2)NCC4 2356709206 SBIUDDYYVPETIH-UIOOFZCWSA-N 566.654 5.747 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](C5)c3cc(O)ccc3-4)[C@H](C)CCSS2)c1O 2356739030 VKONUJCOSYXSTI-VOXJUOBXSA-N 738.965 8.083 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356770922 LFFRSPWFUDRLRT-ADEWMFNDSA-N 882.158 8.639 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC2(CCCC2)[C@@H](c2ccc(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356779526 VAUAYSYPOZVOEG-QALYSUAOSA-N 559.794 7.392 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC(=CCN4)[C@]4(CCC5(CCCC5)C4)[C@@H]4CC[C@@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356820365 FKEBKLRZMAAWLL-OEEBLJSESA-N 871.087 5.158 50 1 KKGF NC(=O)[C@@H]1Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@]34O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1 2356824090 GRWRLLPNZUSQIP-WILIKQSSSA-N 933.094 5.410 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NCSSC[C@@]67C(=O)c8c(cccc8C(=O)[C@@H]6C=C(Cc6cccc(CO)c6)C=C7O)O[C@H]6O[C@@]7(CO)C=C[C@H]([C@@](O)([C@@H]6O)[C@@H]7O)[C@]41[C@@H]2CC5)NC3 2356843816 NPSTZRKDLCDZIR-XIULAEBISA-N 949.157 5.139 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356847862 PACIRBUXMITRHL-PJZHKZLHSA-N 931.323 8.711 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](O)C7CCCCC7)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356871829 YLONWOHQZSVYDR-DWVMZSNLSA-N 951.309 9.165 50 1 KKGF Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1ccccc1Cl)S2 28823779 DLLHBSCJYVRSNB-WSVATBPTSA-N 613.354 7.991 50 1 KKGF Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1cccc([N+](=O)[O-])c1)S2 28823787 AADNAGOZXXREIF-WSVATBPTSA-N 623.906 7.246 50 1 KKGF O=C(NCc1cccc2ccccc12)c1ccccc1SSc1ccccc1C(=O)NCc1cccc2ccccc12 29470033 SRHXUSYTAWIEAI-UHFFFAOYSA-N 584.766 8.652 50 1 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 36311273 OPNWBWOUADKLSR-UHFFFAOYSA-N 597.691 5.255 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1CCc2ccccc2CSSC[C@@H](Cc2ccccc2)[C@H](C/C=C\[C@H](O)CC2CCCCC2)CC[C@H]1CCN 85505510 SFOTXCCFEKQWQY-BBVAMUMLSA-N 682.049 8.710 50 1 KKGF biogenic,in-vitro CCCCC[C@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C1 85596908 HGXQCQDANOJDPX-ZEJAEZHGSA-N 813.140 7.832 50 1 KKGF biogenic,in-vitro CCCC[C@@H]1[C@@H](OC(C)=O)CC(=O)C[C@@H](c2cc(O)c(O)c(OC)c2)CSSC[C@H]1C1=C[CH+]N=C1 85624563 ZNPXXCWBIPXNJW-LTYHASHMSA-O 520.693 5.461 50 1 KKGF biogenic,in-vitro CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C 169366389 LCJOSIBQVUSWIH-YLSGKFJXSA-N 534.693 7.064 50 1 KKGF in-vitro CCCCCCC[C@@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC[C@H](Cl)COS(=O)(=O)O 169621829 WAZWQAUPFQVNCE-MVPXGEJYSA-N 703.015 8.292 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNP(=O)(Oc1ccccc1)Oc1ccccc1 170069637 DXEQJDVNWKMZDS-JBRSBNLGSA-N 573.659 5.070 50 1 KKGF CC1(C)CC[C@@]2(C(=O)O[Si](C)(C)C)[C@@H](C1)C1=CC[C@@H]3[C@@]4(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O[Si](C)(C)C 238756013 AQZAOIHQVLJPQD-NXYOFDGNSA-N 689.259 11.216 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COC(=O)c3ccncc3)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299838562 QPNLRZTXRIDAFS-KEJWYPBXSA-N 711.893 7.136 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)sc2n1 587375831 VAFMRPLYNYJOTN-WXVAWEFUSA-N 525.001 6.209 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587686306 CGLBNNDEEWMVTQ-LVRGLSNDSA-N 528.893 7.090 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587688688 NDCKMSAGFKBAAN-ZQNCRGTDSA-N 532.837 5.874 50 1 KKGF Cc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)sc2ccc(Cl)cc12 587852382 GBZABDGXDXGWRB-CFMSYZGJSA-N 517.689 6.937 50 1 KKGF COc1c(OCCCCI)cc2oc3cc(OCCCCI)c(CC=C(C)C)c(OCCCCI)c3c(=O)c2c1CC=C(C)C 653707141 CKRMHXUBAKBDSV-UHFFFAOYSA-N 956.478 10.754 50 1 KKGF CC(C)Cn1nc(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1=O 653843530 VDOGRODDBMYDND-UHFFFAOYSA-N 611.746 7.873 50 1 KKGF CN(C(=O)NC(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 653865352 PCICVJUVCSWDEU-LODFRUGASA-N 579.429 5.209 50 1 KKGF Cc1cc(-n2c(C)cc([C@]3(CCl)NCCc4cccc(-c5ccccc5)c43)c2C)ccc1Br 962673522 YYJSPSFDPGNESZ-LJAQVGFWSA-N 519.914 7.460 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 962698654 NNTBTNPVCHAQQS-ZPFZUWPUSA-N 637.212 6.865 50 1 KKGF O=S(=O)(c1ccc([C@]2(CBr)c3ccsc3CCN2Cc2ccco2)cc1)N1CCCCC1 962700075 BOWSHZNCKRCBLJ-XMMPIXPASA-N 535.529 5.213 50 1 KKGF C[C@@H](Br)[C@]1(c2cc(F)ccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717557 RNGZKDMAACURGD-GCCLAZTQSA-N 710.566 7.109 50 1 KKGF CS/C(Nc1ccccc1)=C(\C#N)[C@@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949876 DJHVMWPHTSQRTC-XTJXBDTOSA-N 703.834 8.762 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCCCl)(c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381125 PPTVOWHAKFIGGF-SHUZPENHSA-N 600.086 7.143 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N1C(=O)c1ccccc1)CCCC2 963421562 ZPXKJZNCUXWUBY-JCVFDAPQSA-N 624.162 6.729 50 1 KKGF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 963705238 QDJPQHHZICOGKZ-SAGWHXFDSA-N 644.349 5.924 50 1 KKGF COc1ccc2c(c1OC)[C@](C)(c1cccc(NC(=O)CBr)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795046 ANZBHKVHECHTQP-PMERELPUSA-N 590.474 5.050 50 1 KKGF CNC1(c2cc(O)cc([C@H](Cc3ccc(O)c4c3CSSC[C@](C)(O)CNCO4)C(=O)C[C@@H](O)[C@@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCC1 2356299596 FKUKPHUITRXNCN-CLZBNKKDSA-N 946.245 9.193 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCC4(C[C@@H](O)CO)CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356301088 QZIVLNAUSJVSOP-BLDPAERPSA-N 918.235 9.099 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](O)c1cc(O)c([C@H](CCCC)CCCC[C@@H](C)[C@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356328076 OALOPYYRKWCJGW-ITCPWOLISA-N 663.336 10.311 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2 2356351070 PICRGWNTIUXWHJ-UDLPWGTLSA-N 967.396 11.409 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356360065 YASGUXKYKLJBRB-TZRXPLCOSA-N 943.374 10.923 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C4C[C@H](CCC(C)C)[C@@H](CN[C@H]5CC[C@H](C)CCC[C@H](O)[C@@](O1)([C@H]4SSC5)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@H]4[C@@]3(O)[C@H]1O)O2 2356362831 FJCPOCJRZUXAEG-FQMILBNXSA-N 914.193 5.597 50 1 KKGF COC[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@@H]3C1)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC5 2356505214 WIKGKVNANXJSFR-QOUPJRCWSA-N 929.259 6.516 50 1 KKGF CO[C@@H]1O[C@H](C=C(C)C=CC=C(C)CCC=C(C)C)C[C@]12[C@@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O 2356527399 GGFMZSOFGUQEMN-YRGVVYEVSA-N 500.720 6.378 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H]3CC[C@@H]4O[C@H]([C@]5(C)CC[C@H](Br)C(C)(C)O5)CC[C@]4(C)O3)O2)O1 2356641176 HDXGHOIIDFPNSF-UMCBXMBSSA-N 587.636 6.229 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1[C@@H]2C(=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]23C)[C@]2(O)[C@H]3CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]4CCC[C@@H]1[C@]2(CO)[C@H]4C3 2356710444 DRJLYXLYPGPZMT-OPUBKGTGSA-N 924.328 6.525 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356772677 GGMVKMHEZFTCCA-XDWATTBESA-N 925.305 7.444 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@@H](O)C2CCCCC2)C1 2356875074 ZZABLJOOFAZANW-FDAZQBQCSA-N 945.346 6.844 50 1 KKGF COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@H]1c1ccc(-c2ccccc2)cc1 169340589 NGMPKOAAMDALPB-WJOKGBTCSA-N 513.597 6.287 50 3 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCNCCCCNCCCCc4ccc(N(CCCl)CCCl)cc4)[C@H]3[C@@H]1CC[C@@H]2O 27213005 UXJCUUWGRNVUFG-POVSVTQBSA-N 714.907 9.052 50 1 KKGF CCO/C(O)=C1\C(C[S@](=O)c2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802479 HMOVZYKCWLCOLL-CPHDELQCSA-N 543.394 6.962 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cccc(OC(F)(F)C(F)F)c2)cnc2c(C(F)(F)F)cccc12 49762815 LBOSGQKTJIBVMD-YMLXPGOVSA-N 695.661 7.305 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNC(=O)NCC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49823168 HFOFZPOYMRKFOD-SBUWDEJESA-N 648.838 5.567 50 1 KKGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(COOC(C)(C)C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H]([C@@](C)(O)C(C)(C)C)C2 95541859 VPMKSGYBBBNUDA-IPDSEUHYSA-N 529.718 5.011 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2cc(-c3ccco3)ccc2c1 95586735 KQFKGUQYFLJUBQ-OPEKNORGSA-N 530.172 5.800 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1-2 102319841 LFRGETSULYAQKG-LDJRNAMNSA-N 541.699 7.523 50 1 KKGF Cc1cc(C)cc(C(=O)N(N(SOc2ccc(Cl)cc2)C(=O)c2ccc3c(c2C)O[C@H](C)C3)C(C)(C)C)c1 103293496 QGBIACSATQSWOS-HXUWFJFHSA-N 553.124 7.529 50 1 KKGF C[C@H]1[C@@H]2CC[C@H](C)[C@H]3CC[C@]4(C)OO[C@]23[C@@H](O[C@H]1C(=O)C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]5[C@@H](C)CC[C@H]([C@@H]1C)[C@]25OO3)O4 169615360 GZJIPMCINQOOAP-ZPWSZNQZSA-N 576.727 5.447 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@]1(OC(=O)c1cccs1)C(=O)CO 253633978 PIWPKWRRHRILPF-SJTXVSOASA-N 537.505 5.338 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 586935070 JMNSUDXUOUOMKV-QGZVFWFLSA-N 642.470 6.097 50 1 KKGF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)c21 587030484 FMWDDEBMQWIPLQ-NSHDSACASA-N 538.405 8.942 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 587040118 KFJUMZXWEFJFEC-UHFFFAOYSA-N 548.400 8.828 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Br)c2F)[C@@H]1c1ccc(F)cc1 587330288 GQWPKMXYEAHQPQ-KNQAVFIVSA-N 524.155 6.082 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499952 WXWQFMCWGMPALI-IBEUTORNSA-N 693.664 7.583 50 1 KKGF CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534034 AHRQTHUIAQADIJ-XIFFEERXSA-N 562.175 7.890 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587669316 CVCOINBMBQFPBR-BXUPLMHSSA-N 577.288 6.030 50 1 KKGF CC(C)[C@@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587671008 NOYIKPCIVUWBAA-IIYZAJTGSA-N 512.261 5.744 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 587674198 UKWUEJJASXPCDY-YEBMWUKDSA-N 515.220 5.854 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961618175 XSCDBTLGAGQEQD-RPBOFIJWSA-N 522.314 6.143 50 1 KKGF COc1ccc([C@@]2(CCCCCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963042308 RJGQTIWLIJIUQW-ILFWFZRHSA-N 632.103 7.887 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@]2(CCC3)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963066562 DTVAQWTZWWRXGL-ZWVSXBJKSA-N 885.910 10.593 50 1 KKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 963288416 ANACQKBWYTUETQ-HHHXNRCGSA-N 519.280 7.473 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@]2(c3ccccc3C(=O)c3c(N)ccc(NC=C(C#N)C#N)c32)N1C(C)=O 963328949 KAZMESNAIFCHSW-GNALIKLUSA-N 867.897 5.251 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@@H](OC)[C@@H](O[C@H]4C[C@@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 1857742145 RZBWJGXCYYMHAL-LFATYHGRSA-N 987.354 8.407 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356349843 OYSBCHXBOUIHCW-VPXSSWBKSA-N 881.174 8.619 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C[C@H](C6CCCCC6)C[C@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356401230 XQPPHSJZWNGHCO-KQUACHAFSA-N 953.240 8.614 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c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n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@@H]([C@H](O)[C@H]64)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N 2356534584 FQFFMVDDXGHMAX-BWXIWNNDSA-N 957.405 7.585 50 1 KKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]34C)[C@H]12 2356587109 YRXMJZHBWIPRHC-VJEHKPTOSA-N 540.785 7.318 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NC3)N[C@H]3CC5=C[C@@H]2[C@]41C[C@@]1(O)[C@H](O)[C@H](CO)O[C@@H](Oc2cccc4c2C(=O)[C@@]2(C(O)=CC(Cc5cccc(CO)c5)=C[C@@H]2C4=O)[C@@H](CCCO)SS3)[C@@H]1O 2356817726 DMWUXONYXRVJTH-XYCIWZAJSA-N 993.210 5.033 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@]23CCC[C@H]2C=Cc2cncn23)SSC1 2356831148 JMMRSLJAGPIWRQ-WOTABNDOSA-N 646.879 6.172 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356868763 DESMCVDOWIERHG-RYINDGSPSA-N 700.903 6.242 50 1 KKGF CN(C)c1ccc(/C=N/C2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 66112261 ONNQFJJGZXPYMR-NAMNZIITSA-N 620.562 6.172 50 1 KKGF CCCCC[C@H]1[C@@H]2CC/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CCc3cc(c(O)c(OC)c3)CN1C(=O)C2 85627400 DGWUCJMCSIOUDO-SFGWMHHMSA-N 680.978 5.911 50 1 KKGF biogenic,in-vitro COc1c(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c(O)c1Br 95592994 MSOSIOKRAPFQTP-WYMPLXKRSA-N 504.178 5.357 50 1 KKGF C=C1C(=O)O[C@H]2C/C(C)=C\CC[C@@]3(C)O[C@](C)(CC[C@@H]3I)[C@@H](I)C[C@@H]12 136602978 ABJVPMGWAANYLW-FDZVQILZSA-N 570.249 5.540 50 1 KKGF CCCCCN(C(=O)CCCCBr)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169713943 HMRMTWUTVVIJSI-DHASZOISSA-N 537.627 6.802 50 1 KKGF O=C(CCC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2)NNC(=O)CCC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2 194907801 RPKDUSNTVQLLLU-AXYJRABVSA-N 841.066 5.387 50 1 KKGF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586937596 QQIPVQDYKCIDBI-OAHLLOKOSA-N 594.491 7.372 50 1 KKGF CCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1Br 586977300 KTJFTYZWOAOEOY-UHFFFAOYSA-N 506.132 7.975 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 587009882 WWMXQIXEGVCXMB-QHCPKHFHSA-N 576.000 5.503 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 587323492 KONWRNMMIAOQJX-WGHVJBFBSA-N 546.938 5.940 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587332689 JQLAXIPCEIGZPD-FREGXXQWSA-N 515.943 7.312 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587533311 RZZGVAKZGNFSJX-JDXGNMNLSA-N 536.222 7.667 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2ccc(S(C)(=O)=O)cc12 587649998 UJDJSKYWVRKVPQ-WIONDFDJSA-N 606.568 5.571 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 587674125 SYXYGYUYHOSDSY-ASSNKEHSSA-N 520.281 5.360 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(Br)c2)N1 587721479 WAPZMANZVADOLU-HUTHGQBESA-N 510.014 5.663 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CCl)(Cc2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962571741 OITJAGPQZQFIIF-NSJVFKKDSA-N 539.031 6.019 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(CCC[C@@H]1CCBr)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668178 BRQICYNHCOBKKN-KOSHJBKYSA-N 526.393 6.202 50 1 KKGF Fc1c(Br)ccc(Cl)c1[C@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963115009 YWLFLRCYOWXKGR-MRXNPFEDSA-N 502.436 6.333 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1ccc(Br)c(Cl)c1O)N(C(=O)c1ccccc1N)CC2 963148447 ZWWMBFBHFDNTFJ-VWLOTQADSA-N 566.279 5.588 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2ccc(F)c(OC)c2)N1 963163926 SLKRQDHBRMPNEP-IKYOIFQTSA-N 666.591 6.753 50 1 KKGF Cc1cc([C@]2(CBr)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(F)cc1Cl 963548988 IFGKMLPYLSGHHK-NDEPHWFRSA-N 634.855 7.097 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@H](C(=O)OCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857534591 YTSFJQGDJPNLBO-QUMSMSOMSA-N 704.195 8.175 50 1 KKGF O=C(O)c1cc(S(F)(F)(F)(F)F)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O 1857539401 ALXZNAKOFKFAFI-UHFFFAOYSA-N 548.689 5.670 50 1 KKGF COc1cccc(-c2cc(C(=O)Nc3cc4ccc(OCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)c(C)c4oc3=O)ccc2OC)c1 1857578266 CNNAPNUZWYZKMV-UHFFFAOYSA-O 734.809 8.801 50 1 KKGF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@H](NC(=O)O[C@H]1O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]53OO4)[C@@H]2O 1857653088 OEARFYIFCSHRBN-JQULESJHSA-N 611.776 5.825 50 1 KKGF CCOP(=O)(OC[C@@]1(C)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3)OC[C@@]1(C)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 1857767488 ABHYPHRMAYNUEF-RBYUFRKZSA-N 658.722 6.173 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857772786 VKHNZNKXKVMTGO-UXLJZIHZSA-N 567.638 8.444 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356301880 ZMHURSBPOCIBJR-MFANUECESA-N 823.139 6.466 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCC[C@]78CCC7(CCCC7)C8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356457480 QMZCDBVLEFFHNJ-PDOVSNIESA-N 969.269 8.669 50 1 KKGF C[C@@H]1N[C@H](CCCCCCCCCCC(C=O)=CCCCCCCCCCCC[C@@H]2CC[C@@H](O)[C@H](C)N2)CC[C@@H]1O 2356478203 VQQFMYFBGVBDNZ-PCYLPMKWSA-N 576.951 8.307 50 1 KKGF CCCCCC[C@@H]1CC[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356552474 QZWIJRVIJMNVEB-JQQFRBHKSA-N 503.822 6.861 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)C2(CCCCC2)SSC1 2356835462 KSBQODKANFJYEP-ACSYHNTCSA-N 556.794 6.087 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](C3=CCN=C3)[C@H](C[C@@H]3C=CC=C[C@H]3C)[C@H](OC(C)=O)CC(=O)C2)ccc1O 2356851006 QCWWXAKWTVFDPT-QAQOMWBISA-N 555.762 6.172 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 27624372 QQVONFVPCJCTQB-BWXYOZBYSA-N 512.731 6.839 50 1 KKGF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](OC(=O)CBr)C[C@@H]1O 34178178 SLFLGLKEAANGNN-RBDVLXGPSA-N 537.579 6.651 50 1 KKGF in-vivo N#CC(C#N)=C1C(=O)N(Cc2ccc(Br)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21 36093013 XQVKFBHLQLXESM-QHCPKHFHSA-N 603.498 5.029 50 1 KKGF O=C(Nc1ccc2c(c1)[C@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 73198797 KILSXFIWEZXBMF-MRWXLBMLSA-N 617.787 5.491 50 1 KKGF Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccc(Cl)cc2)cc1 84617299 OAAHMDAXFPTCRL-KKMKTNMSSA-N 589.675 6.028 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@@H]3C=CC[C@@H](CC[C@@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)C3 85567697 LGWOLFWIBUZOPJ-CLUMFYMTSA-N 730.901 6.343 50 1 KKGF biogenic,in-vitro COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O 85567710 VTWHRWSAKJHWQU-WSBASWMZSA-N 712.927 7.694 50 1 KKGF biogenic,in-vitro COc1c(OCc2ccccc2)c(OCc2ccccc2)cc(CBr)c1-c1c(CBr)cc(OCc2ccccc2)c(OCc2ccccc2)c1OC 95540563 MLVBHWBLIAYGLA-UHFFFAOYSA-N 824.606 11.477 50 1 KKGF O=C(C[C@@H]1CSC(N2N=C(c3ccccc3)C[C@H]2c2c(F)cccc2F)=N1)N/N=C/c1c(F)cccc1F 98082042 HJHBUNDZDUJRDR-YFXMSBGLSA-N 539.558 5.406 50 1 KKGF Cc1cc2cc(NC(=N/[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)/C(C#N)=C(\O)c3ccc(Cl)cc3)ccc2o1 101032338 SJUKWYCPDNSFFP-HFVAWESISA-N 574.081 5.701 50 1 KKGF C=C(/C=C1\C=C[C@@]2(CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)C(CO)=C1)CCC=C(C)C 103525718 FGKVAKLXRFDDLY-TZZYQILZSA-N 510.715 5.280 50 1 KKGF biogenic,in-vitro C=C(/C=C/C=C(/COC(C)=O)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 103577800 PCXCPWDHJKSSOL-XUUSHERZSA-N 528.730 5.541 50 1 KKGF biogenic,in-vitro O=S1CCN(CCCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1 138939797 SBIDZLKDOCJPHE-UHFFFAOYSA-N 515.716 5.005 50 1 KKGF CCCCC[C@H](C[C@H](O)CO)C[C@@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@H]2O)C3 150349116 XCPLMVXWQBMSPV-PUZFBIPSSA-N 975.307 8.882 50 1 KKGF biogenic,in-vitro COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 150593281 XANHWYALVBJRAH-MKVYKJKLSA-N 652.876 7.106 50 1 KKGF COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@H]([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 195314700 JQUIKJFGIQVNCW-FKBFLADBSA-N 940.341 5.872 50 1 KKGF C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@H]4COC5(CCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@H]4COC5(CCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCC2)OO1 299812402 ZUEJLIYJOADQBI-VJOZVQJDSA-N 858.981 11.955 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299825470 COEQIDDEZCASCC-KGGPRSCSSA-N 980.040 6.797 50 1 KKGF CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@H]3O[C@H]4O[C@H]([C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O4)[C@H]3OCc2ccccc2)cc1 299869862 VMSVZEXKTAPHHR-VWUVXGKKSA-N 770.841 7.220 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSc3nc(-c4cccnc4)no3)nc2c1 586967280 SWHVYKHIQXFZBU-UHFFFAOYSA-N 514.299 6.720 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055017 FMSWVHXZTOLFPS-CPNJWEJPSA-N 596.927 7.796 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Oc3ccccc3)cc2)([C@@H](C)Br)N1 587670187 IOGYAMCWQPOPII-JOWJHRDDSA-N 519.252 6.942 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1 587672267 YYBKYBBNWIDISY-AMIRBURQSA-N 675.028 7.537 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 587737979 IWPKBQIVSZNIHL-JBEBIEQOSA-N 613.696 6.441 50 1 KKGF CC1(C)CC2=C([C@@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)[C@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961616086 QRWVOPOMPGFOPD-NEKDWFFYSA-N 536.901 6.558 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3c(F)ccc(C(F)(F)F)c3F)N12 962648776 WTMUSZQUUVZEQZ-YADHBBJMSA-N 529.303 5.269 50 1 KKGF Fc1ccc(Br)c([C@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962649244 ZSIPGTPOWRJBPZ-OFVILXPXSA-N 530.279 5.974 50 1 KKGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962705826 HARKKRCKSBHDHA-BJOFQRBMSA-N 715.241 6.353 50 1 KKGF Nc1ccc(S(F)(F)(F)(F)F)cc1[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186766 LFVFTPIIEBCOBQ-GCJKJVERSA-N 572.905 7.489 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3cccc(OC(F)(F)F)c3F)nc(Cl)nc21 963928383 LWQQUFNAQSHMQZ-XMMPIXPASA-N 614.825 6.505 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356292447 HFARLHLTUHQNDS-DJFFAEIMSA-N 713.922 6.898 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc(cc(=O)c5c3OC3CCCC3)[C@H](O)C3(CCCC3)[C@H](NC(=N)N)CSSC4)O[C@@H]21 2356295278 YOLPUAFBZPDSDY-FLAGUVESSA-N 615.818 5.234 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)C[C@H](CCCO)[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356301576 WYRFCLAKMXVTBO-BJSSBNQKSA-N 933.154 9.489 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC=C5C5(CCCC5)SSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 2356358162 XVQMVSBRAQDIII-DSRXEFJISA-N 937.277 10.085 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356361335 ZFEXRCZSJKGYJH-HRTGETDUSA-N 924.320 8.023 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356365363 KWOSYJBIBNBURT-WGTBMTIESA-N 951.343 8.404 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC6(CCCC6)[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356368645 RDLHNLNMBHJKRQ-SAAZDZDMSA-N 991.454 12.291 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSS[C@H]4CC[C@@H](C[C@H]4[C@@H](C)O)c4ccccc4Cc4cc(O)cc(c4)C[C@@H](C3)C2)C1 2356369288 DXWFVIDCVNKCBO-KDTLDYGKSA-N 590.939 9.579 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356457721 ADGOKAYXJMQJPT-WSNPIHKUSA-N 761.101 6.810 50 1 KKGF CN[C@@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(O)c(CO)c1 2356503493 JTGWBSDVKNKXEJ-GOOPYHEFSA-N 663.858 7.385 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356543207 IIXNSKYSPHYGGM-BUNGBKCISA-N 901.239 5.838 50 1 KKGF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@@]2(C)[C@H]3CC[C@H]2[C@](O)(CCl)[C@H](O)C[C@H](C)[C@@H]2C[C@H]2C)C1 2356607281 TWHOFQMFCFCUBZ-RBYQJSALSA-N 541.213 5.618 50 1 KKGF CC[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C(C=O)c3cc(O)c(C)cc3C(=O)O1)O2 2356641221 JGPJFMHMGCEUNW-SFZQTNSRSA-N 522.682 6.841 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356669764 MEFYAYUAOPRDCN-DYSKGUAESA-N 841.143 5.617 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C6=C7CCCC8(CCCC8)[C@@H]7C7=C8[C@H](CCC7)C[C@H]5[C@H](O)[C@H]86)[C@@]4(O)C3=CC(=O)[C@H]12 2356694916 MUYMDMCGAMNAON-GASPVUOPSA-N 886.322 8.876 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@H]1C=CC[C@@H](C)C1 2356756613 UIXMXZGIILVLCY-YJAIEUMOSA-N 822.096 5.477 50 1 KKGF COC(=O)c1ccc2c(c1)C[C@H]([C@]1(O)CC[C@@H]3[C@](C)(CC[C@H](Br)[C@]3(C)CC=C(C)C)C1)O2 2356799286 UGLJQQPCFVYFSM-ODKWTEPVSA-N 505.493 6.234 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CN[C@H](O)[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356818593 DUKRIICPEYRVKR-MIMXRUKBSA-N 955.121 5.291 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356833628 KIEIBQVLGHHWFI-HMKUVDLFSA-N 933.250 8.304 50 1 KKGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873602 TZMLNHHPJAHFJW-DQEYMECFSA-N 657.377 6.129 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1 36176374 QMMNPJKVOZYGDW-IQXRZRKZSA-N 634.777 6.162 50 1 KKGF O=C(N/N=C/c1ccc(Br)cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 44361896 NVMLXQKEGRLXCD-RJBFARDGSA-N 539.355 6.345 50 1 KKGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3cccc(C(F)(F)F)c3)c2)CC1 49762674 NBDVCGACKSTXRD-UHFFFAOYSA-N 501.461 5.723 50 1 KKGF O=[P@](O)(OCCBr)OCCCCCCCCCCCCCCCCCCCCCCO[P@@](=O)(O)OCCBr 49803629 GKWSZELLSGWGGH-UHFFFAOYSA-N 716.466 9.845 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)c4nc6ccccc6[nH]4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O 95616207 PUEWNJHMRLQANI-UMBCPKPWSA-N 762.995 9.636 50 1 KKGF COC1=C[C@@H]2C(CC(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)=C(C)N(C(=O)c3ccc(Cl)cc3)[C@H]2C=C1 96914018 BIWCDGGVOXODAP-GRYJAXJESA-N 618.557 7.769 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 135996531 JTXHATPLRKWRIJ-IDQGLQTJSA-N 525.436 5.580 50 1 KKGF C=C(/C=C/C=C(/COC(C)=O)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C 136828244 PCXCPWDHJKSSOL-LIOSSIHRSA-N 528.730 5.541 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccccc4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O 150348678 YTMNUZVMZUHFMD-FHLFDTHFSA-N 889.282 9.761 50 1 KKGF biogenic,in-vitro O=C(NCc1ccccc1)[C@H](Cc1c(SSc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)NC(=O)C(F)(F)F 150524748 HPPRVVIEPVVPDV-MEKGRNQZSA-N 840.872 7.261 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O 238732498 CTHUSBFULVXKNC-VLYVZEKFSA-N 711.081 11.056 50 1 KKGF C/C(=C/C[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 238743660 JJTXYVOUNQSSNW-CKSOYINJSA-N 587.636 5.989 50 1 KKGF C=CCON=C(C[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 254096545 WGDOECSYODBCCA-ANIJTOFPSA-N 631.807 6.436 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@@H]([C@@H](C)CCC(N)=O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 299849501 ATTDEYRJQFTXHA-NEVCUFSCSA-N 619.796 5.897 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@@H]3[C@H]2[C@@]2(CO[Si](C)(C)C(C)(C)C)O[C@H]2[C@@H]3O[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]1O 299870927 XFHAJZXNMCBCLZ-FGJPGFQWSA-N 705.123 5.498 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587292626 XDSHNWQFHGSHEQ-LMQCMXTLSA-N 766.549 5.110 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587369499 JOBMPYGUGBVXFS-CDZUIXILSA-N 625.118 5.453 50 1 KKGF CCC(=O)OC[C@@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427941 LZNWPGUFAAWQLM-YKTVLECUSA-N 685.185 5.272 50 1 KKGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587537578 IDCJGSUWBAOFIK-UGKGYDQZSA-N 520.173 5.415 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)ccc1Br 587540637 PYKMRZJMHUTHJA-LBNVMWSVSA-N 552.852 6.967 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 587685296 PKRFOZGBAULXQY-SOKVYYICSA-N 527.865 6.198 50 1 KKGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F 587716420 ZYWRZOZQBDTJFH-MLCYQJTMSA-N 511.151 5.788 50 1 KKGF COc1cccc(-c2cccc(-n3c(O)ccc3O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c2)c1 587938049 PXGSIDBZCMZIFC-GYOSOGRISA-N 547.648 6.445 50 1 KKGF COc1cc(/C=C(\C#N)[C@]2(C(C)(C)C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c([N+](=O)[O-])cc1OC 962566715 ITAIPVBWRSQSFR-LBRMRRPRSA-N 509.603 5.354 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949124 BIMWQHYMSNNZTP-HMILPKGGSA-N 529.002 6.215 50 1 KKGF O=c1oc2cc(F)ccc2cc1[C@@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951030 FSOCLRBXHSOGNN-QHCPKHFHSA-N 526.324 5.241 50 1 KKGF COC(=O)c1c([C@@]2(CCl)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(C)n(C(C)C)c1C 963020752 NBVUAINBJYIUOQ-YTWZBVJHSA-N 611.142 6.103 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 963167277 DSLBELQFMXKNPG-GUYCJALGSA-N 551.108 6.268 50 1 KKGF Cc1ccc2sc([C@]3(CBr)c4ccccc4CCN3[C@@H](C#N)c3ccccc3)c(C)c2c1 963191274 OEOLBQHIBOKTNH-LSYYVWMOSA-N 501.493 7.280 50 1 KKGF C[C@]1([C@@]2(O)[C@@H](Br)C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)NCCc2ccc(O)cc21 963353017 ORDBAMVYKYENMT-AMVMQYQXSA-N 528.531 5.390 50 1 KKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)c2C)cc1F 963819377 WATRBNSGPFLVKT-JGCGQSQUSA-N 528.071 7.230 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3cccc(C(=O)/C=C/c4cn(CCO[C@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@]86OO7)c5ccccc45)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772574361 BJVCMAZMIZLCSY-NBICRIIJSA-N 884.076 9.365 50 1 KKGF COCc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772640094 TYWZWEATVYMKMI-HSZRJFAPSA-N 512.450 5.809 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCOC(=O)/C(C#N)=C/c5ccc(F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857568579 SMIFSOSKUVAXIU-URUXSBGHSA-N 695.872 9.226 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@@H]2[C@H]3CC[C@@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)[C@H]6C=C[C@@]8(CCC[C@@H]8C6)[C@@H]7CNC[C@H](C)O)c5)cc4CO)C[C@H](C[C@H]2N)[C@@H]3CC[C@@H]1C 2356355132 BYOYATFDDOHPHP-RSKGXMNCSA-N 973.404 8.453 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@](O)(CCCCO)C2CCN(CCCOC)CC2)O3)O1 2356435620 IDPGXIHUIDHSMJ-IWCYBHCPSA-N 915.090 5.206 50 1 KKGF CCCCCCCCCCCC=CCCCC(=O)OO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 2356484012 GMOLPOGBPMOLSJ-XBIUDRFSSA-N 653.089 13.519 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H]3C)[C@]12O 2356484485 WODQCNNHFKTBGP-LXCQEVAESA-N 968.425 7.941 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@@H](OC)c2nc(C(C)=O)cs2)[C@H]1C 2356508622 KVAGQEMNZHLCBY-WPZNFSIDSA-N 674.342 7.163 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356609556 FUOMRAZAFSYFRG-JKFFGLSMSA-N 839.093 7.449 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H](C)CCSS2)c1O 2356648310 WHTFGORBOWLYCB-JXQWCYRBSA-N 768.991 7.616 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCCBr)c2c(O)cc(cc2O)[C@H]1OC(=N)O 2356657870 WRARFMLYIOUCLD-OAJBYPDPSA-N 828.680 11.014 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356759489 TZMUNTBPQXJUKF-VLKXAZCWSA-N 923.335 10.730 50 1 KKGF CCC1=CC2=C(C#CCc3cc(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OC)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@H]2O4)C3)N[C@@H]1N 2356820345 FJWIMYTYZNBRAF-YGHKRQKASA-N 914.203 9.262 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356870781 XUQPJYDDPFBJLZ-ORYVQHAYSA-N 935.355 9.228 50 1 KKGF Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NN(CC(C)C)C(=O)N[C@H](CC(=O)O)c2ccccc2)cc1 14113892 YTHUVUAIORRJIB-AREMUKBSSA-N 545.640 5.096 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNc3ccc(Nc4ccnc5cc(Cl)ccc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 66098397 ROTKXACUDVFVTN-GYOSOGRISA-N 580.125 7.268 50 1 KKGF C[C@H]1CC=C[C@]2(C1)C[C@]1(CC[C@@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@H]4C=C[C@]12C[C@H]4C3 85543430 OVGTVCQCGNQTPW-ZTNRZLEHSA-N 748.199 12.633 50 1 KKGF biogenic,in-vitro CNCc1cccc(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 85549268 XXPUOYJGHYAFTK-PUTDRNDYSA-N 709.079 6.563 50 1 KKGF biogenic,in-vitro O=C1c2ccccc2C(=O)N1CCO/C(=N\c1c(F)cc(F)cc1F)SS/C(=N/c1c(F)cc(F)cc1F)OCCN1C(=O)c2ccccc2C1=O 95543040 IZJKLHAELJOAQN-CACZWXESSA-N 758.678 7.203 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCN3CCOCC3)c3ccccc43)[nH]c2c(OC)c1OC 95544625 JDRGAJQQDKCADY-AREMUKBSSA-N 788.254 7.088 50 1 KKGF CC(C)(C)c1cc(/C=C/C(=O)Nc2ccc(CNC(=O)C(C#N)=C3CCCCC3)cc2)cc(C(C)(C)C)c1O 96914539 NQDNAEUXBJOFGX-SAPNQHFASA-N 527.709 7.040 50 1 KKGF CC(=O)O[C@]1(C[C@@H]2CC[C@]3(C)[C@@H](Br)CC[C@@](C)(O)[C@@H]23)CC[C@H](Br)C(C)(C)C1 140448920 ITFIDMGXNCZIIL-UQJCPLMDSA-N 508.335 5.993 50 1 KKGF N#C/C(C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1/SC=C(c2cc3ccccc3oc2=O)N1c1ccccc1 150610533 OMKYAJNNGHBPOH-KVMUJOAGSA-N 660.711 6.003 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#Cc3ccc(C#CCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)s3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309807 BRQITTUCMVZAAI-DTWRAXLPSA-N 724.913 6.900 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(c4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)CC[C@]3(C)CC[C@]21C 586899910 WDKQRGUWNKQDNI-FBPWKCPOSA-N 668.857 10.813 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(OC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056975 STWDGLUIERUEBK-RQZCQDPDSA-N 544.280 7.891 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189233 ABJKNCUCBFTKFW-KURQEFGWSA-N 641.651 6.752 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)CC2=O 587451094 HXRAHDMJLXXNGS-GHTZIAJQSA-N 512.194 5.206 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587498329 NARCYBIIMKXUPS-IZZNHLLZSA-N 508.873 6.722 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587500850 YMDYRTXXXUDHHE-MFMCTBQISA-N 509.528 8.039 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)cc2)no1 587538098 NINBPHVUJKKIFK-XUZZJYLKSA-N 512.743 5.953 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587674626 YFWHZAPJOKEVMG-MYYSRTQBSA-N 564.249 6.248 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587683164 OBZPFDPDKWBVJY-BLIZRMSTSA-N 551.382 7.979 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 587712694 QKFXIKIZYLFYGH-RBHXEPJQSA-N 550.015 7.087 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587859609 XQLXRDNZEKWDHG-QWXGXRTQSA-N 547.921 6.532 50 1 KKGF COc1ccc([C@H]2C[C@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)cc1 618017071 AZKWQNONHUFXRP-PMACEKPBSA-N 586.607 5.013 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@@]1(CCC2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962694775 BLELFUMSVYFPHT-HWHXTQLESA-N 568.354 5.891 50 1 KKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C=C(C#N)C(=O)[C@](C)(C(=O)N6CCCCC6)[C@@H]5CC[C@]43C)[C@H]12 1772582084 MVTFIZDTAUNURW-SABAAONOSA-N 558.807 7.074 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356311542 BDCUIUNTQSAWQP-AFEAHVDASA-N 824.078 8.641 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356349943 RCJMDXUTXNHZSH-ZXDIHSEMSA-N 936.295 5.720 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356355421 DVPSXLWOFILYRO-DTCAGSIHSA-N 831.114 5.772 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@@H](C(C)=O)N1)C[C@@H]3CO)CC(=O)CC2 2356364310 VJAMOHXCKQSTJE-QZVCUXSHSA-N 955.249 8.859 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356432157 QUTKAUZBPOXOME-VFRFTDOMSA-N 698.989 5.565 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)CN1C(=O)[C@]23[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]23C[C@H](O)[C@H](O)C[C@]2(C)[C@H]2C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@](O)(C2=CC3=O)[C@@]45CCc2cc(O)cc1c2 2356608046 ASEWKJIOKJOKEW-YFLZKLLLSA-N 991.367 6.317 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356630225 HFEAIECGYWDNDL-GXZYFETQSA-N 927.277 6.596 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356655173 ZIPHEWXHWGGITJ-JLEXLJHJSA-N 819.055 7.182 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356768835 SEBSEOICOUMMTK-OTCLQMPISA-N 795.081 5.472 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356852539 QQOULNVXAZYUHE-UMIMWKGYSA-N 971.164 5.841 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356857979 SOOYABWXBOMBNS-MEMLUFBQSA-N 525.473 5.676 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356874129 YSZZKDNUCDDBDY-CBVYBWMPSA-N 877.231 7.541 50 1 KKGF COc1ccc(-n2c(SCC(=O)NN/C=C3\C(=O)C=Cc4ccccc43)nnc2-c2ccc(C(C)(C)C)cc2)cc1 136266559 SQQXDJCHBPPTEN-DIBXZPPDSA-N 565.699 5.590 50 3 KKGF C[C@@H]1CC(C)(C)N[C@@H](C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 14243553 GMWDETSLGDDKSS-CEMLEFRQSA-N 577.361 6.305 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C(=O)NC1CCCCC1 28562893 MCXXTDZZPGXXOS-GSDHBNRESA-N 654.737 5.739 50 1 KKGF C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 43199630 YWEBMJFHZLCHKQ-NSOVKSMOSA-N 506.595 6.740 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@@H]1C)OO2 58538358 AGYGRIPRUDXKSO-ITKZZKFESA-N 590.798 7.289 50 1 KKGF CNCCOc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OCO)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O 85568418 OLZORRZWXFXYAW-HHNDSTAQSA-N 611.738 5.007 50 1 KKGF biogenic,in-vitro CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSSC3 150349732 BMGHYQITDHRCDP-FLSUFXBZSA-N 970.287 10.067 50 1 KKGF biogenic,in-vitro N/C(=N\CCNC(=O)[C@@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NCCSSCCN/C(N)=N/CCNC(=O)[C@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 150528154 AOFFNOKYTUEFCB-MAZIBIHTSA-N 966.890 5.320 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](CI)C4=C(CC[C@@H](O)C4)[C@H]3CC[C@@]21C 169299883 QJHZPCLORSPENH-YWSIBISYSA-N 512.560 7.804 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 195769817 SEBXXWGNVSZTGZ-CSEBVFCESA-N 749.183 7.762 50 1 KKGF O=C(O)c1cccc(-c2cccc(CCSSCCc3cccc(-c4cccc(C(=O)O)c4)c3C(=O)O)c2C(=O)O)c1 299852975 CISYIGGGPWMTBV-UHFFFAOYSA-N 602.686 6.980 50 1 KKGF O=C1c2ccc(O)cc2OC2([C@H]1c1ccc(F)cc1)C(CCl)(CCl)CCC2(CCl)CCl 587326336 KZROEVMAGLPFDE-IBGZPJMESA-N 506.228 6.351 50 1 KKGF O=C1c2ccc(O)cc2O[C@@]2([C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587326882 NHBHUEAAUDVSJP-NLOOFWQESA-N 609.135 6.882 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccc2c(c1)OCO2 587328570 VBXKDKVPFBBQDS-JDXGNMNLSA-N 533.983 6.220 50 1 KKGF O=C(Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)OCc1ccccc1 587537511 GQQNEELCMUEZGJ-SVEHJYQDSA-N 560.400 6.393 50 1 KKGF CCCCN(CCCC)c1ccc(-c2nn(-c3nc4ccc(C(=O)NN)cc4s3)c(=O)c3ccccc23)c(O)c1 587667319 ZWYMUJKUCBEZFZ-UHFFFAOYSA-N 556.692 5.378 50 1 KKGF O=C([C@H]1Cc2ccccc2[C@@H](c2cc(S(F)(F)(F)(F)F)ccc2Br)N1)C(F)(F)F 962772215 VQAXRGXTTKGMAK-CABCVRRESA-N 510.244 6.842 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963180482 NFKQDAGXHWJVGI-ZTCOLXNVSA-N 563.831 5.973 50 1 KKGF COc1ccc([C@]2(CBr)NCC3(CCOCC3)c3ccc(OC)c(OC)c32)cc1C(F)(F)F 963192966 QXHLCHSUVWNVJE-QHCPKHFHSA-N 530.381 5.021 50 1 KKGF Cc1cccc([C@@]2(CCCCCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)c1 963927526 AWXKWTIPIVUTPE-NDEPHWFRSA-N 524.496 6.790 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1ccccc1F)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857558506 LVMQRZPFFDVNKC-NGTFPUNISA-N 609.614 5.732 50 1 KKGF CC[C@H](C)[C@@H](c1nc(C(=O)OC)co1)n1cc(C[C@@H]2C[C@H](CCc3ccccc3)C[C@@H](O[Si](C)(C)C(C)(C)C)C2)nn1 1857592019 UWMDIGGHAZHIQG-JIXKHQEFSA-N 594.873 7.670 50 1 KKGF O=C(Cc1ccc(O)c(O)c1)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857606882 XGMWUNXLQMRKLB-UHFFFAOYSA-O 512.610 5.311 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2 2356301897 ZYQOSEYXSANDRZ-KDMHJTACSA-N 968.295 9.786 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@@]2(CCO)CC[C@@]35CCN(CCCOC)C[C@H]3C=C[C@H]2[C@@]15O)C4 2356365555 NWSJYOISIOIEJL-PWXHXARVSA-N 975.145 5.179 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@](CO)(Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356496071 DRUAPNLANGYFOM-HCCBRWIBSA-N 838.240 6.894 50 1 KKGF CC(C)=CC[C@@]12C[C@H]3C[C@H]4C(C)(C)OO[C@@H](C(C)(C)OO)C[C@@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356531186 RLEFNZSVUBRTHL-GFXWCZLLSA-N 566.691 5.739 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](O)[C@H](C)CCCC[C@@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1O 2356686659 OAOGUBBGJGDGQT-IRKJLVCPSA-N 900.422 11.422 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356744001 UNUFSKHKVCUJRA-STWKVIMKSA-N 808.079 9.322 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356814830 CLOLZMKPRGYBQR-XELSTSLRSA-N 869.027 6.603 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8CC4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356821517 GBONOEHKFXWCAP-OBSXRZHUSA-N 730.009 7.202 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356863771 VIJAKEYPXFOEHI-XKJXQCKXSA-N 957.361 9.101 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc([N+](=O)[O-])ccc2o1 3990479 VZGXDZQOQQEKRB-GOSISDBHSA-N 580.984 6.916 50 1 KKGF CCOC(=O)c1cc(COC(=O)Nc2cc3c(c4ccccc24)[C@@H](C(=O)c2cc4cc(OC)c(OC)c(OC)c4[nH]2)CN3CCl)c([N+](=O)[O-])n1C 27642036 YKUYVCMQDSXLID-QFIPXVFZSA-N 720.135 6.502 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)NN[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 43693346 RDHYGZSGVYSALV-CDIAVTDESA-N 623.923 7.207 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@H]1CCC[C@H](C1)SSC[C@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 85567721 GIEXSFCVSLNRPI-RPDVWZCTSA-N 708.939 8.864 50 1 KKGF biogenic,in-vitro CS(=O)(=O)c1ccc(-c2ccc([C@H](N[C@@H](CC(Cl)Cl)C(=O)NC(C#N)(C3CC3)C3CC3)C(F)(F)F)cc2)cc1 89787856 SLXORIBUVHTOOX-UPVQGACJSA-N 602.506 5.711 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2nc(C(C)(C)C)cs2)cc1)C(C)(C)C 95613446 BSBZSNDFZJCBER-JTBVJWEJSA-N 770.009 6.240 50 1 KKGF COc1ccc(/C=C2\S/C(=N\NC(=O)c3sc(NC(=O)c4ccc(OC)cc4)nc3C)N(c3ccccc3)C2=O)cc1 103179073 FHAOUZPRGCZZKH-JLFGYZAPSA-N 599.694 5.543 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c2ncccc2c1 103250426 XZEARABLJNDBNV-ZKAXXFNFSA-N 567.727 5.581 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H]5CNC6(CC#C[C@@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 150346757 OHABMJGSMXJYBE-QDUJCJPRSA-N 910.249 8.008 50 1 KKGF biogenic,in-vitro CCCCCCO[C@H](O)C[C@H]1CC[C@](CNC)(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](CC[C@H](CC)CC=O)C32CCCC2)C1 150347375 RHRLCZYVSPXXLV-GFLHGXCBSA-N 979.404 10.867 50 1 KKGF biogenic,in-vitro CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587194604 WEQNKRYBLWLTAI-GFCCVEGCSA-N 523.366 6.500 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)[C@@H]1c1ccc(F)cc1 587325104 CCMNPTGRFQBQLZ-IXCJQBJRSA-N 503.913 6.600 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)O1 587509004 VNWAHOPPCJQDGC-HVUWWRONSA-N 627.193 6.603 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 587725839 GOMUEZUMJPAXLB-RKNYENMMSA-N 540.235 6.384 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(F)cc1 587728334 AKXHVEMAIGSCKQ-MQNRADLISA-N 507.850 6.405 50 1 KKGF CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc(C(C)(C)C)c1O 587923661 CGNZSOSGKCHSLA-XDHOZWIPSA-N 509.697 6.546 50 1 KKGF CC[C@@]1(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587962185 VRCMQIIQUINFOU-FQEVSTJZSA-N 509.338 7.751 50 1 KKGF COC(=O)c1ccc([C@]2(CBr)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1 962682972 YCDABMDHWXCURD-HHHXNRCGSA-N 592.408 5.846 50 1 KKGF O=C(CBr)c1ccc(O)c([C@H]2c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 962708514 ICYWCKQOGPRZSU-BFGHFXMOSA-N 704.568 6.176 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cc(F)cc(F)c2Br)N1C(=O)c1ccc(Cl)cc1 963019709 YOJNVQSWWITHLC-LVXARBLLSA-N 638.690 6.652 50 1 KKGF COc1cccc(COC2=COC(CCl)=C[C@]23c2[nH]c4ccccc4c2C[C@@H]([C@@H](O)CC(=O)O)N3C(=O)OC(C)(C)C)c1 963072276 YGCMVCUSEKOORI-RCXVBCEZSA-N 611.091 5.580 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963084726 GUSYFNZYVQPAJF-DUAROTRBSA-N 676.654 9.200 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(CC(C)(C)CC3=C1[C@@H](c1cccc4ccccc14)C(C#N)=C(C)N3)N(C(=O)c1ccccc1N)CC2 963158148 MXOISYNJKMGQIJ-ROUMXBAISA-N 624.785 7.592 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1ccc(C(F)(F)F)c(I)c1 963199978 ZQULCLICSAUHIC-BJKOFHAPSA-N 611.243 7.071 50 1 KKGF Cc1ccc([S@](=O)C2=C(c3ccccn3)OC(N)=C(C#N)[C@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 1857646249 ASBWVBQESJJWAD-JDLYIZNLSA-N 549.496 6.412 50 1 KKGF CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(F)cc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1857743084 OIWWWKURGVEDOV-QESDUEBXSA-N 960.066 5.166 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC=C5C5(CCCC5)SSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 2356358164 XVQMVSBRAQDIII-HVPQRGDRSA-N 937.277 10.085 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@@H]2CSS[C@@H](CCCO)[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356364055 PCXQLSOWWQSCTC-AAKUMSFQSA-N 739.953 7.304 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356365373 LFJKTDQYIGCMFY-GGWLEAGCSA-N 666.006 8.307 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356373387 YTOVLUFKVNKJON-YSHSEQDGSA-N 889.282 9.753 50 1 KKGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC1(CCCC1)[C@H](CCCO)[C@]42CC3=O 2356416837 HJFBPUVERHAAJZ-AEJSRBLNSA-N 505.794 5.428 50 1 KKGF COc1cc(C2[C@H](C(=O)O[Si](C)(C)C)C(c3ccc(O[Si](C)(C)C)cc3)[C@H]2C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C 2356426463 ZTJDMUHDJBNXSQ-HCXPYDJZSA-N 647.078 7.992 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(OCO)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 2356487281 VOCAZNBKJMRCBC-TWXOJFCGSA-N 922.179 7.546 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@H](C(C)=O)N1)C[C@H]3CO)CC(=O)CC2 2356573948 HJMFNUVCQMXWNB-HHRWAAEWSA-N 955.249 8.687 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C[C@@]2(O)[C@H](O)[C@H](CO)O[C@@H](Oc3cccc4c3C(=O)[C@@]3(C(O)=CC(Cc5cccc(CO)c5)=C[C@@H]3C4=O)[C@H](CCCO)SSCNC3=CC1=CCN3)[C@@H]2O 2356856585 SBLPSYDJDBAYIW-WTZUCLKGSA-N 985.231 5.504 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356863767 VIJAKEYPXFOEHI-MHPFDENESA-N 957.361 9.101 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356870307 XPPSCLXYRHEQEI-KSFPMNRTSA-N 900.129 7.173 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2cccs2)C[C@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 44419358 GBKOOYWEIMAPGC-NLFFAJNJSA-N 546.066 5.224 50 1 KKGF CN1/C(=C/C=C/c2n(-c3ccc(CCl)cc3)c3cc(Cl)c(Cl)cc3[n+]2-c2ccc(CCl)cc2)Oc2ccccc21 64625055 COJHAESUVARGMI-UHFFFAOYSA-N 608.376 9.075 50 1 KKGF in-vitro COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc(Cl)cc3Cl)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84711204 IKNYROLRJJJXLJ-QHMKPQLISA-N 612.520 6.228 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](OCNCCc1ccccc1)CC(=O)CC2 85597413 XFYFCCDWVGORMJ-XZWHSSHBSA-N 647.859 7.030 50 1 KKGF biogenic,in-vitro FC(F)(F)c1cc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)cc(C(F)(F)F)c1 96272489 CMBWCUKJTFCGST-GOSISDBHSA-N 578.742 7.219 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)Nc1ccc(NC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)cc1 150595320 ODELVQCWTAEUPF-UHFFFAOYSA-N 748.914 8.242 50 1 KKGF C=CCO/N=C(/C[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]42OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616950 WGDOECSYODBCCA-YGFOQHCTSA-N 631.807 6.436 50 1 KKGF CCCCCC[C@H](Cl)C[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621816 OWZXJAFOLNMCCO-MHTWAQMVSA-N 674.961 7.861 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)c2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 201653418 CVHGDJACUJUWGU-XXYGYDNHSA-N 659.824 6.979 50 1 KKGF CC1(C)OC(=O)C=CC2=C1CCC1=C(CC[C@]3(C)[C@@H]([C@@H]4C[C@@H]5C[C@H]4OC(=O)[C@]5(C)O)CC[C@@]13C)[C@@H]2OO 238789794 WYQHRRVAISWYHU-VCLZEHOASA-N 512.643 5.042 50 1 KKGF CC[C@@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 299819680 BDIQBBZMHANHTF-CHAGWJKLSA-N 556.615 5.814 50 1 KKGF CCN(CC)CCNc1nc(-c2ccc(NC(=O)N/N=C/c3cc(C)c(O)c(C)c3)cc2)nc2ccsc12 299832273 FQTXIESXAUVLCT-OCSSWDANSA-N 531.686 5.590 50 1 KKGF COc1cc(Cl)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587673096 KGURGXNFDYQHBC-DGIBIBHMSA-N 507.625 5.432 50 1 KKGF COc1ccc(C2(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC3(CCC3)C2)cc1 587934456 ALWGJSZSGRWYQU-UHFFFAOYSA-N 523.365 8.242 50 1 KKGF O=C(CC[C@]1(CCOC(=O)N2CCCC[C@H]2[C@@H](O)c2cc(C(F)(F)F)nc3c(C(F)(F)F)cccc23)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O 621430397 UDWZTZCKPDWCGE-ZEMOBCQWSA-N 840.859 7.423 50 1 KKGF COc1cc2c(Oc3ccc(/C=N/NC(=O)Nc4ccc(F)c(F)c4)cc3F)ccnc2cc1OCCCN1CCCCC1 653698585 BGSNSHQBFXWCJX-HASSKWOGSA-N 607.633 6.863 50 1 KKGF C[C@@]1(c2cc(F)cc(CCl)c2O)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962474811 LMAPNGBTHJMOJT-WXGMZPBLSA-N 573.020 6.189 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCl)([C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962624517 FHPUGIBBHKEUHK-MWXNICTNSA-N 611.132 5.195 50 1 KKGF COc1cc2c(cc1OC)[C@@](C)([C@H](Br)Cc1ccccc1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670718 HYZMKTPBWJHVRQ-VPUSJEBWSA-N 580.416 6.782 50 1 KKGF Cc1ccc([C@@]2(CBr)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1F 963083200 VOMQUAYCOHSCDB-PJKFIHJXSA-N 786.587 8.729 50 1 KKGF Fc1ccc([C@H](Br)[C@H](Br)[C@]2(c3ccc(F)cc3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963094287 CIUQZVIHJMUOHL-NDEVUPSOSA-N 565.271 7.268 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381362 VZWTWERJSXFPAG-DHFGULFESA-N 625.121 6.570 50 1 KKGF CCCCCCOc1c(OC)cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1857551993 KDGAKZVTKCHSQY-NDAJGKTFSA-N 585.661 5.973 50 1 KKGF Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1911585336 DFUAIXJTZQOFLT-UHFFFAOYSA-N 716.565 6.277 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)cc(OC)c1O 2356360873 QFRWYUGDTDFVAP-LULBRASTSA-N 636.832 7.743 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O 2356366583 MGIUTZRZCXKTDY-BTZGWPLMSA-N 666.858 6.889 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC2(CCCC2)C[C@H]2CN(CCCOC)CC[C@H]21)C4 2356541458 DEONHPKFBGSZHQ-FIDPIRJGSA-N 923.113 5.874 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2CSS[C@@H]6O)C1=O)[C@]54C 2356584964 YKPHVUHOMZUJFF-XRQYXJLVSA-N 890.218 6.873 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356671910 PBKUIWMXHPVSQG-MQKATLCGSA-N 845.097 5.443 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@@](C)(O)CC=CC(C)(C)OO)CC[C@]23C)C1(C)C 2356734890 DHINOQSEHVSVIQ-FIXLFLFVSA-N 518.779 7.569 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@@]12O 2356767770 HKXCLNJZDBNSBO-UAOSHQFWSA-N 908.373 9.000 50 1 KKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@]1(C)[C@H](Br)CCC(=CI)[C@@H]1Cc1cc(Br)ccc1O 2356802217 RYPNHNKSGHGUCG-APAYAGTCSA-N 648.261 9.135 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(OC)cccc4cn3)ccc2[nH]1 29250494 YEMUYHBXSQHJGK-QGZVFWFLSA-N 692.050 6.952 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(CC)cc1)C(=O)Nc1ccc(C)cc1-2 44052994 GEDRXCHKRWDGSX-MYQGXGEKSA-N 535.308 7.432 50 1 KKGF CC(=O)c1ccc2c([N+](=O)[O-])cc3c(c2c1)[C@H](CCl)CN3C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1 49745540 HBUGUFVSORQDFD-LJQANCHMSA-N 535.000 5.355 50 1 KKGF C[C@@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 49889483 HRSFGCVBDUABKN-UDPVNUCWSA-N 608.769 5.824 50 1 KKGF Cc1cc(=O)oc2cc(OCCCCCCBr)cc(OCCCCCCBr)c12 66074791 IVJFVRIAAZGVEU-UHFFFAOYSA-N 518.286 6.770 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)COc3ccc(C(=O)/C=C/c4ccc(Cl)cc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102317717 AFWNBPYDPQQRRS-DCIRZMONSA-N 583.077 6.366 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](CSCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169324829 WQOWZDQPDRPHPB-NGSZZWAJSA-N 668.871 5.620 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 195159067 SBWFAIGFKMBQFX-KDNIPCCMSA-N 798.421 5.306 50 1 KKGF CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C 586919687 HOQIOEVPBJLBOC-FDFIXMLMSA-N 761.835 10.943 50 1 KKGF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586945030 BONZWGAJZUPCAE-LBPRGKRZSA-N 576.407 6.416 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1I 587567049 BPOWZZCQMAFVSW-GHTZIAJQSA-N 616.043 6.011 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1scc(Br)c1Br 587610451 CIODCLRJOJTAPC-AUUYWEPGSA-N 575.072 6.231 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611098 FJKZQBCFMXYLMN-IERDGZPVSA-N 554.212 5.213 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 587671710 AHCYENQNAREVJQ-VVVCHXIZSA-N 537.021 5.432 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 587685895 UMKDPJVDIKMWJC-YRVHBCJASA-N 534.856 7.460 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)ccc(Br)c2F)N1 587722674 ZOVQYMAUPMNXIJ-CQLKUDPESA-N 544.459 6.316 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(NC(=O)CCl)c(Br)c1 587876887 PQPGFJGBALCSDF-UHFFFAOYSA-N 567.492 5.406 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@@]1(CCl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21)OCc1ccccc1 962634204 HXUCVDSTHHYOTP-WEJDKFPFSA-N 584.135 6.544 50 1 KKGF N#CSC[C@@]1(c2sccc2Cl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962721128 ZAYWETDAIHSIFU-DODOAAEWSA-N 679.214 6.976 50 1 KKGF CN1C(=O)C[C@H]2CN[C@@](CCl)(c3ccc(Cc4ncc(C(F)(F)F)cc4Cl)s3)c3cccc1c32 963018865 CUKHPOBTLJKVPC-ZAMGYDSWSA-N 526.411 5.942 50 1 KKGF COc1cc2c(cc1OC)[C@]1(c3[nH]c4ccccc4c3C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1)[C@@H](Br)C2 963020374 PJYBTVUKLPGXQR-NUJSINJASA-N 595.877 5.553 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)c1ccc(Cl)cc1Cl 963138518 GSRPLJDUDHJHFD-AUUYWEPGSA-N 522.248 5.335 50 1 KKGF COC(=O)C(C)(C)[C@]1([C@H](C)Br)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963213300 HCUUBYZFWQPRDR-PLGCTIEMSA-N 712.506 5.647 50 1 KKGF Cc1cccc2c1[C@](CCl)(c1cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c1C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963853902 JGQLPPQLLGNUKR-DJUQAAIZSA-N 602.153 5.169 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21C=C[C@@]2(C)C(=C1)CC[C@H]1[C@H]3C[C@H](C)[C@@](O)(C(=O)CCl)[C@]3(C)C[C@H](O)[C@]12F 963862605 CUBDBEQSZVDMED-FMDBQSIDSA-N 686.261 6.414 50 1 KKGF N[P@](=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl 1772586179 PBRAZUJVTFOSPC-BHVANESWSA-N 578.796 5.715 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc([N+](=O)[O-])cc4)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc([N+](=O)[O-])cc4)cc23)cc1 1857758298 JHLPHCIPYOBQBG-UHFFFAOYSA-N 812.894 7.217 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356350166 WBWNEZYNFAENKJ-DRPPTBSJSA-N 829.094 8.743 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5CC[C@]1(O)C[C@@](C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]3CC(=O)c1cc[nH]c1CC#C2)(C4)[C@@H]5CCC[C@H](O)CO 2356350806 JZNPJGORXZLNRG-BAYFWETNSA-N 932.218 7.680 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5C[C@H]6CC#CO[C@H]7[C@H]4C4=C(CCC[C@@H]4C[C@@H]37)[C@@H]5CC6)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356355897 WMJLOYHUGWGRJB-VVJOOWEGSA-N 940.330 7.554 50 1 KKGF CC1=C(CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]32C)[C@](C)(CC=CC(C)(C)OO)[C@H](O)CC1 2356385242 KKUBOUCKYPCBMT-PHJJSUSPSA-N 508.740 5.944 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)CCCC13CCCC3)CC[C@@H](O)CC(=O)CC2 2356450478 WFILRGLFQMGLLF-JZCLCYLJSA-N 871.179 6.398 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356817074 DHDUIYFPPVNIEY-GXTUNMIASA-N 912.052 5.702 50 1 KKGF O=S(=O)(c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccc(N(CCCl)CCCl)cc1 27422765 KYVZZZNOJVMPHT-UHFFFAOYSA-N 550.511 7.248 50 1 KKGF Cc1cc(/C=C/c2cccc3sc(C)[n+](CCCCI)c23)ccc1N(CCCl)CCCl 38142959 KVESVENMLJUYAW-CSKARUKUSA-N 588.406 7.475 50 1 KKGF ClP1(Cl)=N[P@@]2(Cl)=N[P@](Oc3ccc4ccccc4c3)(=N1)OCCOCCOCCOCCO2 43491203 DBVTYNNDZOXJAV-JHOUSYSJSA-N 576.678 7.884 50 1 KKGF C[P+](Cc1ccc(C(=O)c2ccc(C[P+](C)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1 49746670 UHFZONWLSIZQSR-UHFFFAOYSA-N 608.702 8.514 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 66097350 ASCTYTFUZJAWHG-OIUVAXTOSA-N 532.081 5.114 50 1 KKGF O=C(CCNCCSSCCNCCC(=O)c1sccc1Br)c1sccc1Br 66252524 CPALXITWMYBVGC-UHFFFAOYSA-N 586.462 5.741 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCCCCCCOC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84654663 HBDKHTBMINILFR-YFFMXFDLSA-N 526.667 5.350 50 1 KKGF CC(=O)SCCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 95571977 OIDQKPFMZBDERZ-JOCHJYFZSA-N 680.186 7.351 50 1 KKGF CCCCC[C@@H](Br)[C@H](Br)C[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)O 146101677 HTORNZPNCYXGMR-YYIAUSFCSA-N 600.068 7.826 50 1 KKGF CCCC[C@@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 210373445 VCQGRVPVRVKIAU-ANFMRNGASA-N 757.895 9.804 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)/C=C/c1ccc(O)c(OC)c1 238754876 DAYLLWATGDUOQQ-NWBJSICCSA-N 628.979 12.427 50 1 KKGF COc1ccc(/C(=N/NC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ccccc2)cc1 299827790 RTFXOYWRTBJVAJ-SNWYYLOASA-N 511.626 5.584 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057797 WWQNXOYQWQJIBX-HYARGMPZSA-N 513.428 7.920 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587334786 YYFGTDHJDYEPBM-DENIHFKCSA-N 513.256 6.339 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427932 LZNWPGUFAAWQLM-POPKCJCXSA-N 685.185 5.272 50 1 KKGF Nc1c(Br)cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587540075 ZXFKMXFEWDIWAM-UWJYYQICSA-N 584.058 5.751 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)ccc(Br)c1F 587558684 SVFYYVBBUXPGQL-DYESRHJHSA-N 542.582 6.199 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 587684067 KDWCSJLQPGJABG-RXBISOJRSA-N 533.268 6.598 50 1 KKGF C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587817692 DQIDFWNEBGFUGL-RXPBIRCHSA-N 510.491 7.816 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@H](CCCCCCBr)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963090073 SIUHJVYRVXNGQR-LQJZCPKCSA-N 582.582 8.377 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cccc([N+](=O)[O-])c2)N1 963171068 KDTHSYWNCKJJLB-SHUZPENHSA-N 663.572 6.514 50 1 KKGF Nc1ccc(S(F)(F)(F)(F)F)cc1[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186770 LFVFTPIIEBCOBQ-XMSQKQJNSA-N 572.905 7.489 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C)([C@@H](Br)[C@H](Br)c2ccc(Cl)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963354667 XVCLAJMTVUVDJT-DMNJWKMDSA-N 739.888 8.509 50 1 KKGF C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@H]([C@H](C)CCCCCC)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1 1772600205 QSEMYQVVFCUPPF-SQPIFTARSA-N 732.051 5.933 50 1 KKGF COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)CNCc1ccccc1)C(C)(C)C 1857667895 HOFNYIDDOUNPFH-JMNIVUANSA-N 852.046 5.552 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)C[C@@H](CCCO)[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356301581 WYRFCLAKMXVTBO-GBEZZRPJSA-N 933.154 9.489 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(C(C)C)nc2N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(C)C(=O)O[C@H]1C3 2356321362 JLVBMOCDSQCHLZ-WEVQMNDZSA-N 704.871 6.233 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](CO4)C3)CCCC1)CC[C@H](O)CC(=O)CC2 2356354857 BJUOAJXOWWUOMS-SYACSPTMSA-N 801.088 5.909 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1[C@H](CCCO)C=C[C@@H](C4=O)[C@@]512)CCNC(=N)N3 2356425766 ROHOJMVXUMLBPB-VPEOEBCISA-N 613.934 5.996 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Br)CC[C@H]2C(C)=CCC(C)=C2Cc2cc(ccc2O)C(=O)O1 2356490664 RBCKUQFYJTZYAI-DJESZUOASA-N 503.477 6.407 50 1 KKGF COOc1cc(C=Cc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)cc2c1O[C@]1(C)C[C@H](O)[C@@H](O)C(C)(C)[C@@H]1C2 2356576280 VAAITGYBPMHSSA-JGGSSXAFSA-N 578.746 6.905 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H](Cl)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)=C[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@H](C)[C@H](O)C(=O)[C@H](C)[C@H](C)C=C[C@@H](O)[C@H]2O 2356680730 SFTBIUYIRWPRME-ITASURDWSA-N 931.686 6.896 50 1 KKGF CN[C@@H]1CSSC[C@H]2c3cc(O)ccc3[C@@]34[C@H]5[C@@H](CC[C@H]52)C[C@H]3CC[C@@]42[C@H](O)[C@H]1C[C@@H]1[C@@H]3CC[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@H]12)[C@]34O 2356747381 ORYJQCRFEHWISW-XZQSMSPYSA-N 947.185 6.392 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@H](Cl)CCCCCCCCCCOS(=O)(=O)O 2356752909 CNIPAIGHIJWOMR-MLNNCEHLSA-N 606.071 7.078 50 1 KKGF C=Cc1c(C)c2[nH]c1=CC1=NC(=CC3=C(C)[C@@H]4C(=O)[C@H](C(=O)OC)C(=C5N=C(C=2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C=O 2356766742 ZJTSOHVFOHPWJC-GQWVOURXSA-N 885.203 10.171 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](c2c[nH]c6cn(cc26)[C@@H](O4)[C@@H](C#C[C@@H]7O)C2(C#CO3)CCCC2)[C@]2(CCC3(CCCC3)C2)C5)[C@@H](O)C1 2356774140 RGIVUCGBLKFZNZ-SFRREEDRSA-N 995.321 9.618 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=CC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)C5)c1O 2356776054 CUXNTUMOCPAOEW-HYZLBROESA-N 793.013 7.853 50 1 KKGF COc1ccccc1CNCCCCCCCCCCNCCSSCCNCCCCCCCCCCNCc1ccccc1OC 29551810 AHLBZFLHIFTNHU-UHFFFAOYSA-N 703.160 9.385 50 1 KKGF c1coc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccco2)c1 40506192 VIXSFEISDVLTTA-UHFFFAOYSA-N 510.814 5.433 50 1 KKGF CC(=O)Nc1ccc2cc3ccc(NC(=O)CCNC(=O)CCCC[C@@H]4CCSS4)cc3nc2c1 71329952 WKGLCJLNIBOZQZ-JOCHJYFZSA-N 510.685 5.505 50 1 KKGF C[C@@H](CCCCC(=O)OCCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1 95537349 BKKCBNOUKQDQMF-FYXFXBAFSA-N 792.963 8.112 50 1 KKGF COc1cc([C@@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 95606299 HSZYRAJKWNJQKW-ACHIHNKUSA-N 771.100 5.366 50 1 KKGF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCN[P@](=O)(N(CCCl)CCCl)O1 101386027 XHETZCWARGANIQ-AIATUJANSA-N 515.462 6.188 50 1 KKGF Cc1ccc2nc(C)cc(N/N=C/c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)c2c1 103201757 DLTQZFSLYBTNTB-HGNXNXBISA-N 557.691 6.884 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccs2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118932839 VHUICZOJPGXDGF-BJRLRHTOSA-N 579.542 5.909 50 1 KKGF O=C(NNCC1=NN(c2ccc(F)cc2)[C@@H]2[C@@H]1CCC[C@@H]2Cc1cccc2ccccc12)c1ccccc1 169721757 VFSFNUMQKVBATF-ICTSCBFQSA-N 506.625 6.117 50 1 KKGF O=C(NNCC1=NN(c2ccc(F)cc2)[C@H]2[C@@H]1CCC[C@@H]2Cc1cccc2ccccc12)c1ccccc1 169721758 VFSFNUMQKVBATF-DSXODZLMSA-N 506.625 6.117 50 1 KKGF CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(I)c4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195439340 DPCUQRIBXRHKAJ-VBHAUSMQSA-N 797.844 7.109 50 1 KKGF CCCCCCC[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928801 XCQVIBNYJYFVME-JSXRDJHFSA-N 674.961 7.861 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 299820772 DQVUCDBOFDTXMU-LALXJTNGSA-N 624.635 6.751 50 1 KKGF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 587189946 GPBRHEGGBGQOCD-YTDHDMEXSA-N 654.248 7.035 50 1 KKGF O=C1C[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587510059 WCVKMHQZIHBFSG-FQEVSTJZSA-N 518.167 6.602 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 587558954 YMNVDWJNYBNHTO-FGIPVKEKSA-N 667.170 6.426 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 587673149 KXGZHNIOCNAYJK-CQLKUDPESA-N 585.935 5.868 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 587683001 FGRBFYPSRODBLU-UOXLDJKESA-N 548.239 5.789 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685847 BLCJVGVWAVCGAE-YHAMSUFESA-N 519.886 6.274 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587687142 FYFRDRGMNUGVHG-TWKFVSLJSA-N 501.827 5.980 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 587723114 VGLGWWYBJKCMHO-RBHXEPJQSA-N 500.008 6.207 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 587739466 HCNQSOQBOUTIIL-IZEXFVCQSA-N 719.780 9.141 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587941110 RNBJSLHMEUFEGL-FVTXVMOTSA-N 813.386 5.001 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)O[C@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)c2ncccc2c1 621430810 OXASSEYSFHTAIZ-ADQABZACSA-N 565.711 6.320 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCCCCl)(c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680495 PLHVXGKNBQNKRO-LJAQVGFWSA-N 546.029 7.464 50 1 KKGF COc1cc2c(cc1OC)[C@](/C(C#N)=C\Nc1nc(-c3ccccc3)cs1)(C(C)(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962681988 YARCBZZYOKMIHQ-PTAJGELXSA-N 646.735 8.306 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@@H](Br)C1 962949802 COTYGXBVOFGCMZ-TWWFPWMWSA-N 533.429 5.393 50 1 KKGF COc1ccc([C@@]2(CBr)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1Br 963138501 GQAIFDJWGCKYPD-SANMLTNESA-N 590.312 5.394 50 1 KKGF Cc1cc([C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1 963230825 IQOPSOBJELRFJA-SCAVLVJOSA-N 723.138 7.359 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(OC)cc3)c3cccc(Br)c3CCN2C)cc1 963279267 FOQBYVKFCOHKCU-FTJBHMTQSA-N 559.298 5.844 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](c2cccc(OC)c2)([C@H](Br)C(=O)c2cccc(OC)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963366309 KGQOAOWRMVLAQB-DLDRHDQOSA-N 762.653 7.648 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCCCl)(c2ccc(C(C)C)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381080 OWMSWBMJOLZPJN-ZGAWMTGXSA-N 624.177 8.127 50 1 KKGF CCOC(=O)[C@@H]1CCC[C@@H](Br)[C@@]12c1cccnc1CCN2C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963547464 BNXHEKFWCIIXHZ-FFCVWOAGSA-N 618.450 5.680 50 1 KKGF COC(=O)c1coc(Cn2cc(C[C@@H]3C[C@H](CCc4ccccc4)C[C@@H](O[Si](C)(C)C(C)(C)C)C3)nn2)n1 1857579549 HNUZCBONGBFTRB-SONWIMMPSA-N 538.765 6.083 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCOC(=O)/C(C#N)=C/c5ccccc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857621456 BWYYLRRIZXGLIK-YFWZQULISA-N 649.828 8.307 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356292276 MVXNDHSRIFXHJF-DWSYMCEUSA-N 875.215 7.764 50 1 KKGF CO[C@@]12C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@@]34[C@@H](C1)C(C)(C)O[C@@]4(CC=C(C)C=O)C2=O)C(C)(C)[C@H](C)O5 2356392012 LLUOWYAXWXVGKY-ZSIVWYLNSA-N 576.686 5.270 50 1 KKGF C=C1C[C@H]2CC=CC(=O)O[C@@H]3[C@H](C)[C@@H](C(C)=CC#N)O[C@H](CC=Cc4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)[C@H]3C 2356636185 YTQSRBIUUZXQQA-DATSQDGTSA-N 578.706 5.534 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@H]1C)N43 2356822526 FWOFVYGIUUKRMA-JSETXFCDSA-N 639.880 5.841 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356831962 HYNQEMLYTDBECY-UXEWUOCUSA-N 857.016 6.372 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O 26404461 ZCLOWBXNKUYDPI-AGPZYQDASA-N 623.834 7.351 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cc(O)cc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49756445 GBUSFEWIPGZHTC-HNDZEFGJSA-N 672.812 6.704 50 1 KKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 100783779 SFXFJEZXIQVKPD-VBLQTSIXSA-N 539.463 5.668 50 1 KKGF COc1cc([C@@]23CC[C@@]45CC[C@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)[C@@H](C)CCSS5)c(O)c(OC)c1O 150342891 ZJFUJIIHPOPGED-JXDJDPBLSA-N 738.921 6.518 50 1 KKGF biogenic,in-vitro CCc1ccccc1/C=C/C[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@H]1C1=C[CH+]N=C1 150344036 VYJSWPLTFWEZFC-QWNRQWBJSA-O 872.007 5.368 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 150348624 FIQCFVPZIFWCEA-FELRKBNJSA-N 955.345 9.390 50 1 KKGF biogenic,in-vitro CC(=O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3Sc1ccc(NC(=O)NCCCl)cc1 253645598 LJHNAANEAMCCMK-HZCQEDADSA-N 543.173 6.855 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058518 ZPSQCTYAQHDHFW-AUWJEWJLSA-N 504.190 7.243 50 1 KKGF Cc1nc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2cc1Br 587190688 MNBZGQCVZWWFDT-QWVJTJRISA-N 655.678 7.061 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)cc(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191129 PCSKAWXUQTVSJE-YEXLVFSCSA-N 597.747 6.873 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2OC(F)(F)F)[C@@H]1c1ccc(F)cc1 587328645 JTPCKOYOZQIXKZ-IFMALSPDSA-N 511.265 6.079 50 1 KKGF O=C1C[C@](CBr)(c2c(Cl)ccc(Br)c2F)Oc2c1ccc1c2CCCC1 587504395 JCRYAYYMHVJNAM-FQEVSTJZSA-N 502.605 6.376 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cccc(NC(=O)[C@@H](C)Cl)c12 587688895 OICKPSGTGULDDT-YFONVMMFSA-N 527.821 5.525 50 1 KKGF CN(C(=O)NC(=O)c1ccc(Cl)cc1Cl)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 653913889 PBPRZSDLDPXHCR-LODFRUGASA-N 612.339 6.238 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962473335 IXVJPMPZPQWYQZ-PDRJUJFWSA-N 660.710 7.190 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCCC1=C2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 963142837 LLMMBODMFLHBEP-YDLGPDHBSA-N 589.501 5.837 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2[C@@]2(CCC3)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963191252 STJIZPDJWKCEKF-JRMIIYTKSA-N 655.707 6.690 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc(F)cc1F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963805356 CVUQFCYJZHFOQC-MUUNZHRXSA-N 569.402 5.369 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1nc3ccccc3s1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808594 RWELYPAWFWKDSV-LJAQVGFWSA-N 546.048 5.545 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccs2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857533768 VHUICZOJPGXDGF-PBMUFMDZSA-N 579.542 5.909 50 1 KKGF O=C(O)[C@@H]1C[C@]23[C@H](Cl)C(Cl)=C(Cl)[C@H](Cl)[C@]2(C[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl 1857545123 ADUXZDNWGRINDQ-LUXLDWSGSA-N 641.114 6.671 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccccc2-c2ccccc2)nn1 1857744350 UMODJNYTULVTCJ-AVSINSOJSA-N 565.758 7.741 50 1 KKGF 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CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@](NC(=N)NCCCO)(CSS[C@@H]3CC[C@H]12)C4 2356519933 SRNRVCAGKPCSRQ-YUCMJMRVSA-N 823.047 6.171 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356735802 RPTPSEDYZQNUJK-CQKHBRBKSA-N 597.887 6.605 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)[C@H](CCCO)C=C[C@@H]2[C@@H](CC)N(CCCOC)CC[C@H]21)C4 2356758985 XKGCLTAKPDPXGK-SKJBZVTPSA-N 953.139 5.257 50 1 KKGF C[C@H](O)CNC[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCCC[C@@H]5CSSCc6c(CO)ccc7c6C=C[C@@H](C[C@@H]5N)[C@@H]7O)o4)ccc3O)[nH]c2CC[C@@H]2CCC[C@H]21 2356767709 FYXKOSZWFUYYOW-AEEOXAAWSA-N 930.287 8.320 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCCC[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 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939.254 8.618 50 1 KKGF biogenic,in-vitro CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@@H](CCCCO)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344123 IMLUWNIGOXGNKD-JWSUCPAUSA-N 897.173 7.591 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@]4(CCC[C@@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 150348635 RGHULZQWQPBEKZ-HBEUBWAJSA-N 941.318 8.380 50 1 KKGF biogenic,in-vitro CCCCC[C@H](C)C[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 150349182 TVIZSYIENWRHBH-LMAWOQPDSA-N 899.256 11.188 50 1 KKGF biogenic,in-vitro CCCCC1=C(Br)[C@@]2(OC1=O)[C@@H](Br)[C@H](Br)[C@@]21OC(=O)C([C@@H](CCC)OC(C)=O)=C1Br 161364837 KJJZJKARRMQVGU-ZYHFBJIYSA-N 678.006 5.338 50 1 KKGF COC(=O)C1=C(CCCCO[Si](C)(C)C(C)(C)C)NC(=O)N2[C@@H](CCOCc3ccccc3)CC[C@H]12 195487287 NQQMJVVTJUIDGT-ISKFKSNPSA-N 516.755 5.769 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O 195515526 IEYIWXBJAVNHQT-QNIQQWMFSA-N 594.190 5.185 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccc(C)s2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253633821 NSWSWPQSYVIFLJ-KKGHEXLESA-N 593.569 6.217 50 1 KKGF COC(=O)[C@]12CC[C@@H]([C@H](C)CI)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C[C@H](CCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299824474 LEMFKZVFDBBUBP-SLOZPZQCSA-N 944.052 12.244 50 1 KKGF O=C(NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 587237913 RLSLRZRZMKYVPQ-UHFFFAOYSA-N 565.564 7.765 50 1 KKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326578 LYFGTYCUHYCFGC-DQQHMPIDSA-N 531.023 7.597 50 1 KKGF COc1cccc(-c2cc([C@H](Br)Cc3ccc(Cl)cc3F)nc3c2oc2ccccc23)c1 587361167 XDXBVTDKLQROHT-OAQYLSRUSA-N 510.790 8.128 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(C(Br)Br)CC2=O 587449575 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CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962700606 KEIMJHXGRSYDTQ-IPJJNNNSSA-N 531.344 5.065 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@]2(CCC[C@@H]2Br)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962715248 RAXYVYHWERROFA-ALKXEMMNSA-N 624.526 5.946 50 1 KKGF Cn1c(O)cc2cc([C@]3(CCl)c4[nH]c5ccccc5c4C[C@@H](C(=O)O)N3C(=O)c3ccc(Cl)cc3)ccc21 963018033 NDYVRGYLLQJQEM-PWUYWRBVSA-N 548.426 5.653 50 1 KKGF C[C@]1(c2ccc(F)c(B(O)O)c2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963099892 SWRFAGDYGOGNGO-LRHLLKFHSA-N 571.457 5.072 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963198393 UTBYTCCNTQKXOV-APVUINSQSA-N 587.646 7.782 50 1 KKGF CCOC(=O)N1CC[C@@]2(c3cc(O)ccc3C[C@@H](C(=O)OC)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](Br)C1 963367140 MUWSTXWIEMPJCT-XNMCCTNNSA-N 649.538 5.562 50 1 KKGF C[C@](O)(CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857612304 MEIHCCVCKJYHRZ-INIZCTEOSA-N 529.427 5.406 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356300200 MCYKBDVRSZIFSV-BBMPBKHXSA-N 905.285 8.560 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356351948 IYCKWDNFUIJRPS-IPCNAMQJSA-N 869.241 7.549 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@H](C2CCCC2)Cc2cccc(c2)C1 2356429569 ABNPPIOWWRSWNX-YWSOFLTHSA-N 729.059 6.713 50 1 KKGF COc1cc(O)c(C=CC(C=O)=CC[C@@H]2[C@]3(CC[C@@H]4C(C)(C)CCC[C@@]24C)CO3)c(O)c1C(=O)C=Cc1ccccc1 2356480970 XVSYISZBIBMIMY-XUMHXVHKSA-N 570.726 7.543 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CCCO3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356500138 QKUABODNZYYNDN-GJITUFOTSA-N 727.006 6.101 50 1 KKGF 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CNC[C@H]1C[C@@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@H](C)C3)C2)C[C@@]12CC[C@@H](CNC)C2 2356756012 MGAUJXUOBXOSDP-CHPAWDJVSA-N 756.223 10.045 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356776800 WUKDMOUXHCBPFY-MLWKCEDXSA-N 777.100 6.312 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@]1(C)O[C@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4C=CN=C4C3)[nH]c(=N)c1CSS2 2356849111 PSWGZFQYXTULML-KBXHXZBBSA-N 804.951 5.916 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)CC5=CN[C](N)C=C5[C@@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]43 2356875198 OGXIZZLKAZKGBU-LOPSYIFMSA-N 728.913 5.018 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299842983 LTLNAIFGVAUBEJ-SCTMOSEKSA-N 826.475 6.085 50 1 KKGF CC(C)[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@@H]5C=NN(C(=O)[C@@H](Br)C(C)C)C5)CC[C@]4(C)CC[C@]23C)C1(C)C 299856196 IONHQRMQXLCCTE-WOUFZYSJSA-N 780.771 10.283 50 1 KKGF CS(=O)(=O)Nc1ccc(O)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586949657 XGDXWTBXOQRXOA-UHFFFAOYSA-N 508.288 5.727 50 1 KKGF CCCC(Br)(CCC)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586970958 MTBGYZAYMAJXFH-UHFFFAOYSA-N 500.169 8.173 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(-c3ccc(I)c(I)c3)[nH]c2c1 587179107 QHZBDZXSSWMUBN-UHFFFAOYSA-N 572.078 7.097 50 1 KKGF CC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587191240 RPGROQNNBLZBQX-HLFPDITBSA-N 603.804 6.797 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587327862 HZKAPIPDZXFCAH-IFMALSPDSA-N 511.265 6.079 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(SC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587332028 ROEFKKNLFQLIOB-IFMALSPDSA-N 527.333 6.793 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 587671780 AQNKHHHDNXGRBY-WNWIJWBNSA-N 585.935 5.868 50 1 KKGF O=C(Oc1ccc(Oc2ccccc2)cc1)N(Nc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 653790514 WLLYTZMWSDZPAG-UHFFFAOYSA-N 536.609 7.363 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2[C@]2(CCC3)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963191244 STJIZPDJWKCEKF-DKPTZIPXSA-N 655.707 6.690 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1C 1772576058 RTQORFWEKWJBCY-HSZRJFAPSA-N 512.450 5.980 50 1 KKGF O=C(O)[C@@H]1C[C@]23[C@H](Cl)C(Cl)=C(Cl)[C@H](Cl)[C@@]2(C[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl 1857545124 ADUXZDNWGRINDQ-OBAMCISWSA-N 641.114 6.671 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)NCCCCCCCCNC(=O)[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857652002 ZGWNFJWEMLYAOT-QXZUTZRMSA-N 704.902 5.568 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356364667 WDWPJIMDFLUPHW-OYISNXEASA-N 855.170 5.659 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)[C@@H]5CC[C@H](C[C@@]21C)[C@@H]3[C@@]45C 2356414228 RQBXKLUYEOOAMR-CSWGHGFRSA-N 670.982 5.856 50 1 KKGF C[C@@H]1N[C@H](CCCCCCCCCCCC=C(C=O)CCCCCCCCCC[C@@H]2CC[C@H](O)[C@H](C)N2)CC[C@@H]1O 2356478202 VQQFMYFBGVBDNZ-KHSDTHFLSA-N 576.951 8.307 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@H]1O2)C5)CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356491349 IOPFBTIGEPHUEN-ANZMDKRUSA-N 990.257 9.723 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356558431 ACRMTHSZHIGDGF-FHWMYVSESA-N 655.380 9.155 50 1 KKGF CNc1ccc(Cl)cc1C(=O)O[C@@]1(C)[C@H]2CC[C@]3(C)[C@@H](C(C=O)=CO)[C@@H](C)[C@@H](OC)C[C@H]3[C@@]2(C)CC[C@H]1O 2356801334 RMVXUOLEDUZPCE-FWSBHTCPSA-N 548.120 5.803 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]5CO)c1 2356843759 NPCTYBWFEWOHRC-RABWZNMISA-N 818.155 8.301 50 1 KKGF CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)c1 28863610 HSAIXSYFGMGWPJ-UHFFFAOYSA-P 753.473 7.711 50 1 KKGF COC(=O)N(NC(=O)c1c(OC)c(-c2ccccc2)nc2c(Br)cccc12)c1ccccc1 36311321 VOXUYPPNRFDHEJ-UHFFFAOYSA-N 506.356 5.591 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@@]14[C@H]5C[C@@H](C[C@H]1C3=O)C(=O)[C@]4(C/C=C(\C)C=O)OC5(C)C)C=CC(C)(C)O2 70454051 ORNMPVMTDJIPQS-MGVFXCIUSA-N 546.660 5.707 50 1 KKGF biogenic,in-vitro CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/C=C/c1ccccc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 102960219 MWKFVBNQTQDCFH-MCXPVDORSA-N 531.468 7.136 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@]14CC[C@@H](CC5(C[C@H](O)CO)CCCC5)[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 150349103 LWVITNBJYYNCIS-YGGUTOTCSA-N 959.264 8.246 50 1 KKGF biogenic,in-vitro CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c1O 150357186 WXPJVRFXKNFYLX-BSYOAMGKSA-N 806.993 5.158 50 1 KKGF biogenic,in-vitro N#CC1=C(NC(=S)Nc2ccc(Br)cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 150548586 PEZAZDNFBHUAQP-AREMUKBSSA-N 703.471 6.736 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCCCCNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 150595334 DVBXOUXSTCIMBG-UHFFFAOYSA-N 728.924 6.677 50 1 KKGF C[C@@H](NC(=O)c1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 150606364 OJNQUVKHPHNWLC-BWFNHWMHSA-N 704.161 7.424 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195515014 AMSWKXJXTYPJKN-HWXYTADMSA-N 626.036 6.402 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(I)c2)[C@@H]1c1ccc(F)cc1 587339506 SAKBTRHREGGYSR-IFMALSPDSA-N 553.165 5.785 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 587727325 NXSPOWVGFXJOGK-YEBMWUKDSA-N 540.235 6.384 50 1 KKGF C[C@H](Br)[C@]1(C2CCC2)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962962923 DJIVFRFYLKIAJF-AQKRHHIUSA-N 576.871 5.078 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccnc(Cl)c2F)N1C(=O)c1ccccc1 963416042 MPMUCEJPRMLZAJ-DFBJGRDBSA-N 542.792 5.146 50 1 KKGF COc1ccccc1[C@]1(CCCCCCCl)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963586927 WUUFQFLZTJDVDW-XIFFEERXSA-N 624.103 7.800 50 1 KKGF N#CC1=C(c2ccc(OC(F)(F)F)c(F)c2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772644065 LRZYRLGXPZJBPX-OAQYLSRUSA-N 570.383 6.700 50 1 KKGF CC(C)[C@@]1(c2cc(-c3ccc(S(=O)(=O)N(C)C)s3)cc(C(F)(F)F)c2)C(C#N)=C(N)Oc2n[nH]c(C3CC3)c21 1772645769 JMZZEOLBFICUFE-RUZDIDTESA-N 577.654 5.313 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccoc2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 1857533787 ZABSPJOXBSMZHR-YCVXQUQBSA-N 563.474 5.440 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857549065 GQZXSKLMDMYPLA-INIZCTEOSA-N 558.425 5.434 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](CO4)C3)CCCC1)CC[C@@H](O)CC(=O)CC2 2356354856 BJUOAJXOWWUOMS-RGBJOCFDSA-N 801.088 5.909 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCCO)(CSSCO4)[C@@H]85)C[C@]4(CCC[C@]45CCC4(CCCC4)C5)C[C@@H]7NN6)[C@H](O)[C@@H]3O)c2c1O 2356364211 QFEBKZMMCWPEKY-YRFYYUSWSA-N 997.283 6.878 50 1 KKGF CC(C=O)=C[C@@H]1OC(C)(C)O[C@H](C[C@H](CCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@]1(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 2356700807 ZGPNFPJEJZDCQU-QBWLYORFSA-N 879.258 8.169 50 1 KKGF CO[C@]1([C@H](C)C(=O)OC(C)(C)C)CC(=O)C(C)(C)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 2356705918 JHQZCODFIZJGDP-KOCOGKMMSA-N 554.800 5.268 50 1 KKGF CO[C@@H]1C=CC=C(C)C[C@H](C)[C@H](O)[C@H](C)C=C(C)C=C(C)C(=O)O[C@@H]1[C@H](C)[C@H](O)[C@H](C)[C@]1(O)C[C@H](OC(=O)C=CC2=CC(=O)OC2=O)[C@H](C)[C@@H](C(C)C)O1 2356716455 NCGWSFZKZKXDRF-XBJWXDMKSA-N 756.930 5.226 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@@H]([C@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356740994 ARJDEASPYJYLKN-WFSGGPSMSA-N 857.010 5.063 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356765784 OKJNXNRPQNRJBB-RNUUGWIRSA-N 737.163 12.976 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)[C@@H]1CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 2356776103 DMDCPOYTNJXJTI-VJHYKJHCSA-N 890.263 6.780 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@H]3CCC(=O)OC)C(CC)=C1C 2356811339 BNJIWSZTEYMVAX-DYESRHJHSA-N 576.653 5.559 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1 2356854621 RQTICLPJAKPZAA-CKFDJZPISA-N 805.079 7.125 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356861221 UGQSJGPFVMNAPT-ARZTUADDSA-N 907.212 7.914 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CN[C@H](O)[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356865817 VLIIGAMMWJIJSU-DWIBUOSISA-N 983.175 6.072 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1C1=CCN=C1 2356872902 ZBVUOAQFYWBGPG-RKKICMGXSA-N 873.083 5.517 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O 43482133 SCGKCIFKZFNKSL-OEGCHOKUSA-N 605.212 6.791 50 1 KKGF C[C@H](CCCO)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3O)OOC1(CCCCC1)OO2 44138325 RTWNKQFFFDFKAO-NNXBZSHVSA-N 522.723 5.262 50 1 KKGF COC(=O)CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 58609124 IVWLXPWSHOQYCP-JVNGKIMKSA-N 633.823 6.159 50 1 KKGF O=C1C=C(NCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 102974823 BMTUHUKCAWQLSE-UHFFFAOYSA-O 574.725 7.654 50 1 KKGF O=C(N/N=C1/S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 103291115 DZADOCHVWSDXIZ-QRBRLQOQSA-N 518.957 5.956 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CF 118922586 FEJQUBQBRRMWJR-ZULDAHANSA-N 523.428 5.846 50 1 KKGF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 150593289 QUIVXFNIXLTLCE-MKVYKJKLSA-N 668.875 6.812 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CC3)CNC2=O)cc1Cl 169364635 PNZLTIGTYFXMMM-OZVBQBSHSA-N 703.660 5.079 50 1 KKGF C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN([C@@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1 195504828 HFLDKSMIEKKGPR-VGTNMCJWSA-N 799.095 8.615 50 1 KKGF O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)[C@@H](CSSC[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)Cc1ccccc1 299811686 PSWMWFZRKCACRI-SYRQOENSSA-N 865.130 9.027 50 1 KKGF Cc1cn(-c2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cn1 587324115 WCIYHBPMCJPGEH-AZGAKELHSA-N 507.359 5.675 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 587324950 VUNGRTUPXUMYII-JNQIMCCTSA-N 545.950 5.761 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(Br)c1 587557157 LZJXHJRDSFBAOR-WIYYLYMNSA-N 508.137 5.546 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3C(F)(F)F)c(SC#N)c2c1 587620688 YHHZXXYZDXCPAD-UHFFFAOYSA-N 548.524 6.144 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587686609 DDETUWUSBWZOMQ-ZQNCRGTDSA-N 532.837 5.874 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 587812067 PEDYNUJIHLGHLP-FNLRZCRTSA-N 716.685 5.601 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@]2([C@H]3CC[C@H](C3)[C@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039322 MZQDGEBFJRZMPT-KDGKDKMCSA-N 550.001 6.458 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@H](c2cc(S(F)(F)(F)(F)F)ccc2OC)N1 963153574 AKAYPMRXJIZAOM-CQTOTRCISA-N 681.727 8.722 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccccc2)([C@@H](C)Cl)N1 963161225 KWYDLACZAORJDH-MDYSMPGJSA-N 588.151 6.838 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(-c4cc(=O)c5ccc(OCCO[C@H]6O[C@H]7O[C@@]8(C)CC[C@H]9[C@H](C)CC[C@@H]([C@H]6C)[C@@]79OO8)cc5o4)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 1772640018 KLMWJMQPXZVXQV-CCZMDNDWSA-N 875.021 8.667 50 1 KKGF CN(C)C(=O)c1cc2c[nH]c(=Nc3ccc(NC(=O)CCCCCCCN=C=S)c(F)c3)nc2n1C1CCCC1 1857572680 MBQLSCUNSCDDEE-UHFFFAOYSA-N 565.719 5.935 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H](C(=O)OCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857594746 YTSFJQGDJPNLBO-PLAJANQLSA-N 704.195 8.175 50 1 KKGF Cc1c(Cl)c(=O)oc2cc(OCCn3cc(CO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)nn3)ccc12 1857636473 MSHCHNUYFBSFIG-FEKMYJHPSA-N 602.084 5.150 50 1 KKGF O=C(OCCCCCOc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1)c1ccc(N(CCCl)CCCl)cc1 1857773106 KMYRSDUCHCBBER-UHFFFAOYSA-N 616.494 6.267 50 1 KKGF CNCc1cc(O)cc([C@H](NCCCCO)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356355449 UMDASOIAISPYIL-TUYDZOLPSA-N 734.981 7.755 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@](O)(CO)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]6O)[C@]54C 2356374439 WBOMRNUXVPIXLK-IWDNDWDZSA-N 950.270 5.454 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSCC1(CCCCC1)NC(=N)N[C@H]2C=CC[C@H]3O 2356376614 VFUCJKGYEFDMCE-QVAHFPQYSA-N 866.204 5.201 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 2356634478 IBSGZOIVJBTMKX-JRSUCEMESA-N 629.342 8.252 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@H](C)CCSS3)[C@H]2O)c1O 2356648312 WHTFGORBOWLYCB-UCVSGYRXSA-N 768.991 7.616 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCC[C@]78CCC7(CCCC7)C8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356761317 XBMYRSJNWRODNL-GHUDCEGASA-N 955.242 8.279 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c2c1CSSC[C@@H]1CN[C@@H](N)c3ccc4c(c31)CC1=CN=C3CN(C=C13)[C@@H](CC#C[C@H]4O)O2 2356809889 ATYDMUDYEUABJF-DHKPYPEDSA-N 714.954 5.690 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C[C@H](CO)CC[C@H](O)CCC(C)C)c(=O)oc5cc1O2)[C@H]43 2356813525 CHSIZPIMAKEFHI-FORUUTFHSA-N 931.231 5.897 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356850320 PPGSCVQSXXXXGB-ZWBUNGKSSA-N 732.021 7.595 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356850592 PRHYOXDKQZSNIA-XICMTSMQSA-N 836.133 8.699 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](C1)[C@H](CCc1ccccc1)C1=C(C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O6)C4)N[C@H](N)C=C1)C2 2356855026 QYJQZNUFKYCJIB-IZCCPNKRSA-N 990.301 10.341 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1 49881453 PFLMZORAXVAGAY-UHFFFAOYSA-N 574.512 7.552 50 1 KKGF CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@H]1C)OO2 64372996 WONHTQGFQZNARX-KLDHSSDESA-N 589.814 6.862 50 1 KKGF CC(=O)OC[C@H]1O[C@H](Oc2cc3c(c4ccccc24)[C@H]([C@@H](C)Cl)CN3C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 95540401 ZBOCOUKDJXEHDY-XRFALBMUSA-N 808.281 5.095 50 1 KKGF CCCCCCCCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCCCCCCCC)c(C)c2C)nc2ccccc21 95563647 QABJDQJHNXEFIH-UHFFFAOYSA-N 825.225 11.775 50 1 KKGF CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc6c3C=C[C@H](N6)SSC[C@@H](C)C/C=C/4OC5=O)[C@@H]21 103526661 KDYWWPSYEMEEIG-XZBDATJISA-N 600.806 7.521 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C=C(C)N(c2cc(OC)cc(OC)c2)C(N)=C1C#N 103950500 TYSUGDJOQOSOTL-IBGZPJMESA-N 525.411 5.529 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@@H](C4CCCCC4)C/C=C\5OC6=O)[C@@H]32)CCCC1 150344179 QXKMNBCFGXSGMG-QCKPXKFCSA-N 772.090 9.153 50 1 KKGF biogenic,in-vitro CNCc1cc(O)cc([C@@H](Cc2ccc(OCO)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 150349805 DSBBAUWNJHIMCD-CRPVPZDCSA-N 921.171 7.332 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC3(C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)COCO3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169359958 PINHUUIYKUVDMD-AGHXAETQSA-N 634.807 6.011 50 1 KKGF COC(C/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c1ccccc1I)OC 195453472 FVISWLOLSZJOSN-XYGWBWBKSA-N 677.813 8.064 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@]3(C[C@@H]4O[C@H]5O[C@]6(C)CC[C@@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@@]57OO6)CO3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253632446 DDYNFKIYCLNEIZ-XRDNJDHASA-N 604.781 6.037 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccc(O)c(Br)c4)cc3F)ccnc2cc1OCCCN1CCOCC1 299820898 FAXJDLLJWOCPLO-ZSNJKBEMSA-N 667.532 5.437 50 1 KKGF COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc(OC)c1OC 299841376 ZNHPJJZIMDHFAD-HHHXNRCGSA-N 584.669 6.234 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Cl)CCl)[nH]c21 587007770 HLXPODGYUWTIPV-QHCPKHFHSA-N 579.528 7.342 50 1 KKGF CC(C)(C)OC(=O)N(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C[C@H]1CCCO1 587197089 IGPWTDOTLWUCKC-LLVKDONJSA-N 536.361 6.899 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1 587321405 JVHLJBOKOOWGDE-UNMCSNQZSA-N 506.165 5.943 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)cc1 587538064 MXQSKKMOPMWYGY-LBNVMWSVSA-N 517.375 6.223 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 587544025 DHXPBJCRFJELJM-SQHAQQRYSA-N 527.926 6.914 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 587569471 LNODSRSLYUYSCB-KUZUDIDLSA-N 668.568 7.402 50 1 KKGF COc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] 587672968 JGIKZVOLTIFZNM-ZRNGKTOUSA-N 536.623 5.640 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 587673921 RPMWKLPWFAYQLJ-BZQUYTCOSA-N 523.328 7.110 50 1 KKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587687038 YNGPCRVJIDQJEC-KAHZROCGSA-N 516.882 7.177 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 587710455 GLMGFYXUUPURKY-QPFGOUBPSA-N 550.015 7.087 50 1 KKGF CCCCCCCCCCCCCCCCN1CCN(C(=S)SSC(=S)N2CCN(CCCCCCCCCCCCCCCC)CC2)CC1 653709170 VPEBGBVUURSJRP-UHFFFAOYSA-N 771.414 13.135 50 1 KKGF Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2[C@@]2(CCC3)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962950001 DGGJUNGQHLIOGK-OUTSHDOLSA-N 521.583 5.806 50 1 KKGF Cc1nc(-c2ccc(Cl)cc2)sc1[C@@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962992439 GJODDZVCFYGGEL-XMMPIXPASA-N 530.944 6.925 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963202472 ZMQLBHRTYYKXNH-OCDQVXHZSA-N 612.826 5.865 50 1 KKGF Cc1c([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c2ccccn2c1C(=O)c1ccc(F)cc1 963240906 ZVSCTXAGIFVZDU-HLADLETHSA-N 527.983 5.247 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cn(-c4cccc(C(=O)N5CCCC[C@H]5C)c4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857534751 SAUVANCTQNOTNQ-VADODWTOSA-N 566.699 5.007 50 1 KKGF Cc1cccc2c1N(Cc1ccccc1)C(=O)[C@]21C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857549438 FOSYMCGUNYBRSD-UMSFTDKQSA-N 553.574 5.393 50 1 KKGF CCCCCN(CCCC)C(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857570507 ZQOZMSJWNHPFRT-PFSSOWKASA-N 614.912 7.370 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(O)cc4O)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(O)cc4O)cc23)cc1 1857630071 JRCAEKOIEJMUGD-DMMXZFMDSA-N 692.732 6.488 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356301054 QUNNISIZTVWMIP-FQFVIEOCSA-N 755.959 7.080 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356351626 BGIIYQURWKWGFF-SKMKVHFRSA-N 797.090 5.600 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356356553 LIYNRKCILWEWFK-OOUTVRQASA-N 886.227 7.698 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C4C[C@H](CCC(C)C)[C@@H](CN[C@H]5CC[C@H](C)CCC[C@H](O)[C@@](O1)([C@H]4SSC5)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@H]4[C@@]3(O)[C@@H]1O)O2 2356362833 FJCPOCJRZUXAEG-WDWGGNLHSA-N 914.193 5.597 50 1 KKGF CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H]3C(C(C)C)=C(C=O)C[C@]31C)C2=O 2356390591 AEVDRGYEHJFKLT-BHIGKDKJSA-N 508.699 6.673 50 1 KKGF C[C@@H]1CC=C[C@]2(CCC[C@H]3[C@@H]4C[C@H](CSSC[C@H]([C@@H](C)O)CCc5ccccc5Cc5cc(O)cc(c5)C45CCCCC5)C[C@@H]32)C1 2356451062 SCXUEEWLUHQBFN-QIWUAGKQSA-N 659.058 10.925 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@](CCO)(CC4(c5ccccc5)CCCCC4)C#C[C@@H]3C=C12 2356817395 DKNOMFPIFRDIDX-KRPKJPBZSA-N 992.402 8.970 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356851242 QFLIKEMRYNDTJF-RSAQTFSYSA-N 716.022 8.623 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356856030 RVUXUFINZLOLON-RSTGRMBJSA-N 931.323 8.699 50 1 KKGF CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2cc(C(=O)Nc3cc(CN(C)C)cc(N(CC)CCCl)c3)n(C)n2)c1 5742245 FLUPBKABXMFGEM-UHFFFAOYSA-N 645.680 5.178 50 1 KKGF CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3c(F)cccc3C(F)(F)F)c(OC)c2)s1 13584659 WJHGPSZNNJFUDZ-NTEUORMPSA-N 506.481 5.392 50 1 KKGF O=C(N/N=C/[C@H]1NN(c2ccc(F)cc2)[C@@H]2[C@H]1CCC[C@@H]2Cc1cccc2ccccc12)c1ccccc1 40457091 IWRDBMLARBRACV-NKZHWZOYSA-N 506.625 6.116 50 1 KKGF O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(C3CCCCC3)=C[C@H]12 85592405 XDUHFRYJWIGXKR-WYOMFOODSA-N 750.936 5.241 50 1 KKGF biogenic,in-vitro CCC[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 150349185 CYTNOQSHVFJLFC-YDANRLCWSA-N 829.121 9.381 50 1 KKGF biogenic,in-vitro C=CCO/N=C(/C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 169616812 WGDOECSYODBCCA-FHGOPKEOSA-N 631.807 6.436 50 1 KKGF C=C(C)[C@@H](CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C)OO 255205318 DBWPILOLPUDSNJ-XJLZVQPFSA-N 504.708 5.673 50 1 KKGF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587055390 PWQHOEIJIOLQAY-LBPRGKRZSA-N 525.326 9.459 50 1 KKGF CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587198819 RGVOZPWPOSYWGC-UHFFFAOYSA-N 650.467 10.035 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6nc7cccc8c7c(c6C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1)CC8 587210636 TZUYRTHSLRSZLR-GNFRAIDCSA-N 566.113 5.887 50 1 KKGF COc1cc2c3c(c1)O[C@@](CCl)([C@@]1(OC(=O)c4ccco4)[C@H](C)C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](O)C[C@@]41C)[C@@H](C2)C3=O 587424331 ZCMJFNAVHLHMTQ-CUSDOLIMSA-N 681.609 6.495 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)c(F)c1 587557345 MVQJNROUGACGSV-RXVVDRJESA-N 508.137 5.546 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587684253 KLKGNWUBLXJGOX-YKQKIZICSA-N 667.487 7.979 50 1 KKGF CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587686747 XCXNSYZFDPGXAD-PTVLZMMBSA-N 681.039 6.679 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@@H](C)Cc1ccc(F)c(Br)c13 587742483 RRGGZUODUFFBRS-FTICUEHYSA-N 719.780 9.141 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@]32N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2C(C)(C)[C@]12OC(C)=O 587810106 JVYBOZAXOJHPAG-MPIQFMGBSA-N 828.901 8.722 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc2ccccc2c1-c1c(CBr)ccc2ccccc12 587875434 TVQHQERYQGTJSK-UHFFFAOYSA-N 601.371 8.767 50 1 KKGF CC(C)CSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653700293 SZNSIIPMURUJQY-NRFANRHFSA-N 568.914 6.087 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCCCCl)(c1cccc(Br)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676183 MIUZRJABGLAGJS-SSEXGKCCSA-N 638.952 8.617 50 1 KKGF CCCC[C@H]1C(C#N)=C(C)NC2=C1[C@@]1(CC(C)(C)C2)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963806312 GPIODIAMHFOLGT-GELPCWRISA-N 606.767 6.929 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356313178 TYDFSQYJSJKOBX-IRFYJIAZSA-N 684.021 7.566 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356361242 XKMHQXRHADLLNF-ZKBVERQMSA-N 929.211 8.156 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@@]12O 2356369951 VWHSNPZSULAXTR-OMVBAELTSA-N 859.296 10.067 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@@H]2O)cc(OCCC(C)C)c1O 2356499102 RPXLSRODNNMOTA-WFBDUCOKSA-N 726.954 7.522 50 1 KKGF C[C@H](O)CCC[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356718635 BHNGAEWWSREPQU-AUQUYUSHSA-N 874.182 9.347 50 1 KKGF CC[C@@H]1CCC[C@]12CC[C@H](Oc1cc3c(cc1O)[C@H](CCO)SSC[C@H](O)[C@H](Cc1cc(OC)c(O)c(OCO)c1)[C@@H](O)C[C@H](OCO)CC3)C2 2356722512 JPQDWGWTKYSXHG-PUWIHGIQSA-N 752.989 5.620 50 1 KKGF CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@H](O)[C@H](Cl)C[C@H]3[C@@H]21 3926594 FQJIZXBCOKNLMR-PPJFIPHSSA-N 560.263 8.212 50 1 KKGF CCN(CCCl)c1ccc(SCCNC(=O)c2ccc(NCCSc3ccc(N(CC)CCCl)cc3)c3cc4ccccc4nc23)cc1 26568059 ZGEFDBKCPNRLAY-UHFFFAOYSA-N 720.836 9.245 50 1 KKGF C/C(=N/NC(=O)c1ccccc1Nc1ccccc1C(=O)N/N=C(\C)c1ccc(C)cc1)c1ccc(C)cc1 31899276 DLHOFGXRAAUKLY-MHCOGVSMSA-N 517.633 6.355 50 1 KKGF CCO/C(O)=C1\C(C[S@](=O)c2ccc(OC)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802448 ZSNWNHLLFUDZGF-WGSLFYNPSA-N 504.530 5.664 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(Br)o2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 49813672 UXDUVXYQKPADPT-BFTCCDFGSA-N 642.370 6.203 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNCCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 66097351 YWIIWXLVEZBANL-RMYVVLEOSA-N 546.108 5.504 50 1 KKGF C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CNCC 85544417 KOONJTGWWJENFE-NAJFKABZSA-N 600.885 5.194 50 1 KKGF biogenic,in-vitro CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@H]2O 85597396 BFGSJNQMIKZKBI-CHXHCODASA-N 583.772 5.805 50 1 KKGF biogenic,in-vitro C=C(C)c1cc2c(=O)c3c(O)c4c(c(/C=C/C(C)(C)OO)c3oc2c2c1[C@@](O)(C(=O)OC)CC2=O)OC(C)(C)C=C4 85739975 DHSZUELPJXKISQ-QRCHRYKKSA-N 562.571 5.098 50 1 KKGF endogenous,in-man C[C@@H]1CC[C@H]2[C@H](CCCCCCC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 95552392 VKNBVEHDZHWVHW-FKMMBJDGSA-N 632.791 6.494 50 1 KKGF C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OCCNC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 95607598 NXUMPCNHCFUSHW-YYSPTCTBSA-N 828.985 6.845 50 1 KKGF COc1ccccc1OC(=O)[C@H](C)Oc1cccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c1 103180531 AHPBFCLYQAEMBT-HMVCRXQJSA-N 554.636 5.655 50 1 KKGF COC(C)(C)C[N+]#CS(C#[N+]CC(C)(C)OC)(C#[N+]CC(C)(C)OC)(C#[N+]CC(C)(C)OC)(C#[N+]CC(C)(C)OC)C#[N+]CC(C)(C)OC 150580738 DVZZOAZEBPJPJP-UHFFFAOYSA-N 711.027 8.155 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 169356754 ORSKCTIDJPPMJJ-HACLVWBYSA-N 898.538 6.320 50 1 KKGF CN(C)S(=O)(=O)c1ccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586932196 WABXWLUKGJIZPL-UHFFFAOYSA-N 536.342 5.812 50 1 KKGF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586937595 QQIPVQDYKCIDBI-HNNXBMFYSA-N 594.491 7.372 50 1 KKGF CCCC[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200047 WODJOSMHXRQHOP-VWLOTQADSA-N 644.504 10.095 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CBr)(c2ccc(-n3cc(Br)cn3)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962474816 LMTGQSDYNPUNTR-FJQKOURKSA-N 714.414 6.929 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCCCCCl)(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1 963021651 QXWRRMXZOJCVTI-FREGXXQWSA-N 553.461 7.155 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963092816 XEOGRASZNRWSJA-JHOUSYSJSA-N 563.814 8.053 50 1 KKGF C[C@@H](Cl)[C@]1(c2c[nH]c3ccccc23)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963197787 OFINKFUFNTUPKC-RAPZWNEGSA-N 567.041 6.892 50 1 KKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CCl)c1cc(C)n(-c2ccccc2Br)c1C 963632751 GYMKXXWQAZRNPJ-BZQUYTCOSA-N 503.868 5.890 50 1 KKGF COc1ccc2c(c1OC)[C@@H](c1ccc(O[Si](C)(C)C)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963777840 QJMXJBXJZIDPSY-HHHXNRCGSA-N 528.681 5.756 50 1 KKGF Cc1cccc2c1[C@](c1ccc3c(c1)OCO3)([C@H](C)Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963903579 AYZZBBNNYNRUFN-KGVVXCLESA-N 532.431 5.387 50 1 KKGF COc1ccc2nc3c(cc2c1)C[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC=C1[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)NNC(=O)c4ccc(C)cc4)CC[C@]12C)C3(C)C 1772604122 GZWHHLYMVZYDOQ-FKFJYKEESA-N 701.996 9.684 50 1 KKGF O=C(OCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O 1772614586 UMZYEVQYEQREGL-UHFFFAOYSA-O 555.675 7.370 50 1 KKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)Nc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)C3)cc(C(F)(F)F)c1 1857769219 ALKAXJMZFDRCJO-UHFFFAOYSA-N 582.063 6.869 50 1 KKGF O=C(NNC(=S)Nc1ccccc1Br)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 1911583498 HGBBULZWSMPLNN-UHFFFAOYSA-N 594.538 7.223 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@H]2O)cc(OC)c1O 2356353594 AEMQUFDKHUYILQ-PFXVPSSVSA-N 694.868 6.414 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C(=O)Cc2cccc(C(N)N)c2)CC[C@@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356370031 LQQRMOFFWIFBDL-BUUPFWELSA-N 747.080 7.044 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSS[C@H]7C=Cc8c(ccnc8N7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356403324 GCZLSRBIXDVHDI-RRERBFDQSA-N 832.101 9.718 50 1 KKGF CCCCCCCCC[C@](C)(OC[Si](C)(C)C)[C@H](CC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 2356420225 SOTYPNYMOXVXKT-OXWDOHASSA-N 868.700 11.797 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](O)SSCNc6cc(ccn6)[C@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356449249 GSHYKBCSZRREPP-DKLOSORXSA-N 701.867 5.910 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)[C@@H]3CC[C@@H]2C=C[C@H]3SSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2O)C12CCCC2 2356450970 PYVKZEPYFHMRAI-YSSIBFJFSA-N 933.291 9.081 50 1 KKGF C[C@H](O)CCC[C@@H]1[C@H]2CC[C@@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356601498 XIQSIXDMTJCWDO-KHJZMCIRSA-N 916.219 8.708 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(C[C@H](CO)CCCO)CC3)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356624398 CFHNOLDBMDPFHI-GLRTUPCQSA-N 966.276 9.028 50 1 KKGF CNC[C@@H]1SS[C@@H]2CC[C@@H]3[C@H](OC(C)=O)C[C@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]3[C@@H]2Cc2ccc(O)c(c2)O[C@H]2CCC[C@@]1(NC(=N)NC)C2 2356637943 LPEYOLMLNGPALC-PIRIMJEWSA-N 822.063 6.006 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356776787 KGCLYVWUGJQKCO-HNUKFPLUSA-N 755.060 7.097 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356835209 KPLZWJFGPDIUIZ-ZPPYOWFESA-N 943.334 8.089 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@@]23CC4(CCCC4)C[C@H]2C=CC2=CNCN23)SSC1 2356856191 RYJXKDJVNINCMG-VIZHJLTMSA-N 727.009 8.441 50 1 KKGF CCCCCc1cccc2c1CSSC[C@H]1C[C@@H](CC[C@@H]2CCc2ccccc2)CN2C[C@H]3[C@H](CC[C@@H]4[C@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]43C)[C@@](C)(O)[C@H]12 2356870527 XSKYQGYTRSZOGE-KNGXUPDNSA-N 800.272 10.709 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(CC)=C1C=O 2356874436 YWCUTLCAOFDLEK-WUYWPYRASA-N 855.133 11.493 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2cccc(Br)c2)N1c1c(O)c(Cl)cc(Br)c1Cl 1662034 FWVYSXLAUNTRDQ-VXGBXAGGSA-N 500.401 5.919 50 1 KKGF O=[N+]([O-])c1ccc(SCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)cc1 43888623 FVOBQJWNVPJBJN-UHFFFAOYSA-N 513.211 5.328 50 1 KKGF CCCCCCCN(C(=O)c1cccc(CCl)c1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 49694597 LRRJLLRQKAWODS-OIYQXIOLSA-N 555.247 8.070 50 1 KKGF C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C 85544370 SNYMARVRECXDLV-ICFVELLRSA-N 581.838 5.626 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 85597376 OYJATYINNSCKGZ-BNLPXROOSA-N 649.831 6.864 50 1 KKGF biogenic,in-vitro O=S(=O)(c1ccc(Cl)cc1)[C@]1(c2cc(F)ccc2F)CC[C@H](CI)CC1 100419943 RDOJEKIVHJOBBF-XVDXERDNSA-N 510.771 5.913 50 1 KKGF Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(OC(F)(F)[C@H](F)Cl)cc1 103205634 WRCDTDJZNFKPFT-QFIPXVFZSA-N 530.374 7.793 50 1 KKGF CNCCCCC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 150349200 VJYMQEZHSXUWSP-KXEQJVMGSA-N 846.152 8.581 50 1 KKGF biogenic,in-vitro CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(Cl)cc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195440493 DVVHQSWDQWXVKH-VBHAUSMQSA-N 706.393 7.158 50 1 KKGF Cc1ccc([C@@H]2CC=C(CBr)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 261184739 XAQPUAJCGPRLQN-VMPREFPWSA-N 552.578 7.799 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCC[C@@H](C(=O)O)S(=O)(=O)O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299853166 GQSPYHXXAXFCRB-CIRCCWNHSA-N 978.602 5.186 50 1 KKGF in-man O=S(=O)(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)s1 586942320 JRNQFWOXZXJWRN-UHFFFAOYSA-N 577.214 6.285 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CBr)[nH]c21 586972297 LOZFNIXCVHJTBH-UHFFFAOYSA-N 575.507 6.718 50 1 KKGF CCOc1cc2oc(=O)c(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2cc1Br 586998818 PDCATTXKTFRAOO-UHFFFAOYSA-N 511.266 7.155 50 1 KKGF O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326555 LWWBHGMYOHHFBM-JDXGNMNLSA-N 515.968 6.401 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 587328640 VHJGEXWUQMXDMS-RUVNJYGYSA-N 548.010 6.283 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2scc(Br)c2Br)[C@@H]1c1ccc(F)cc1 587376148 OUEQGRWXKYGNPV-OXQOHEQNSA-N 591.090 6.767 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 587683009 FGRBFYPSRODBLU-XELLLNAOSA-N 548.239 5.789 50 1 KKGF CC(=O)O[C@]1([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587685418 QNTWNACIUDDQSA-AJOVJXCESA-N 667.487 7.979 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587688885 OICKPSGTGULDDT-CIICLBFASA-N 527.821 5.525 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587689154 QFPRJUQUTRGDDY-AKJBCIBTSA-N 519.886 6.274 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 587740342 JMSWCHLTJFZDCV-NOVUIFNWSA-N 557.467 6.517 50 1 KKGF CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCCBr)cc3)c3ccccc3c2=O)cc1 653851543 JJKMPDMTWRYTJR-UHFFFAOYSA-N 520.471 6.453 50 1 KKGF Cc1cc(C)c2c(N)c(C(=O)NN=Cc3cn(-c4ccccc4)nc3-c3ccc([N+](=O)[O-])cc3)sc2n1 958066010 MYEAGTMHDWENCS-UHFFFAOYSA-N 511.567 5.020 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CBr)c1ccc(N2CCCC2)cc1 963069378 RNYNMYUXCQQNEK-SAGWHXFDSA-N 598.538 5.404 50 1 KKGF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(F)cc1)[C@H](Br)[C@@H](Br)c1ccc(F)cc1 963131237 MOBRUEVGGHXSTC-ZDXQCDESSA-N 551.225 5.952 50 1 KKGF CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)[C@@]5(NCCc6ccc(O)cc65)C(C#N)=C[C@]43C)[C@@H]2C1 963340868 JLJYBXRISGGREE-AEFPDAIVSA-N 673.889 7.907 50 1 KKGF COc1cccc(-c2cc(C(=O)N[C@H]3CC[C@H](c4ccc(OCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)CC3)ccc2OC)c1 1857592512 VODQNJBIKZPJPK-WXCFTTBBSA-O 734.897 9.590 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(N)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=C2[S@@](=O)c2ccc(C)cc2)cc1 1857640393 GZLPRKAETMRHFU-CPVMILDDSA-N 562.535 7.325 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@@H](SSCCC[C@@H]3O)[C@@H]4O)CC[C@@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356299836 HQCMZMKTBYFERE-XOYDLETESA-N 992.316 10.940 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@@H](CC=CCCC3CCCCC3)C2)[C@H]1CC(=O)O 2356320157 JRFGDUWPWCOPAD-LHRJMYFBSA-N 676.045 9.647 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(C(=O)CCl)O1 2356331916 VSVSLEMVVAYTQW-JQWWUKKISA-N 505.841 5.129 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSS[C@H]2CCc3cc(O)c(OC)cc3[C@H]2CC(=O)C[C@H]1OC(C)=O 2356352993 FQMLXFFUEJOKFX-UMXIUQEHSA-N 531.740 6.394 50 1 KKGF CCC[C@@H]1[C@H]2CC[C@H]3C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356358497 PZJRDUHNJQSFCY-BOWZHXQVSA-N 856.167 9.842 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356365111 FULNLRDXYJQSJM-MWPKNHCASA-N 819.181 7.217 50 1 KKGF C=C(C=CC=C(CO[C@H](CO)CCCCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 2356368696 MQEONIGUTYFMJG-HKQIUVDVSA-N 600.881 6.936 50 1 KKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)C=CC=C(C)C=CCC(C)C 2356430844 RVITUWWAPCDXAD-UHFFFAOYSA-N 550.871 11.973 50 1 KKGF CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2C=CC2=C4CC(C)(C)CC[C@]4(C(=O)OC(=O)[C@]45CCC(C)(C)CC4=C4C=C[C@@H]6[C@]7(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]7CC[C@@]6(C)[C@]4(C)CC5)CC[C@]23C)C1(C)C 2356527818 OETSCDNEBPSEFP-ATOQPEFUSA-N 975.449 15.363 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@@H]1C)N43 2356630886 IFTLASPLOLUKEF-IZKRTJEZSA-N 601.875 6.960 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)[C@@H](C)CCSS5)c1O 2356722953 UVHFBXQSUIADPK-GVYVVJFGSA-N 795.029 7.934 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)[C@H](C)CCSS5)c1O 2356722955 UVHFBXQSUIADPK-JMGFZTRSSA-N 795.029 7.934 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@H](CC=C[C@H](O)CC2CCCCC2)CC[C@@H]1CCN 2356759213 SFOTXCCFEKQWQY-NTMXSYBKSA-N 682.049 8.710 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356849317 PVCRGSNCIZTILO-JXDPPGKASA-N 770.114 9.793 50 1 KKGF Cn1cncc1CN(Cc1ccc(C#N)c(Br)c1)C(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1 36330300 XCKIUXVZLPDAPE-UHFFFAOYSA-N 565.475 6.013 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283539 FLFTUMLFVGZEJE-XICOUIIWSA-N 616.650 6.493 50 1 KKGF COc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1OC 98084915 APRFGTXUHHGVIV-OHEQZMDMSA-N 563.630 5.145 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344133 OYSBCHXBOUIHCW-IIXFBRAISA-N 881.174 8.619 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 169354470 YCOIJPSIDUQDNN-TZQMOHEPSA-N 812.448 5.694 50 1 KKGF O=C(c1ccc(C[P+](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1)c1ccc(C[P+](c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 195522438 LIJIZIUSVIKZCB-UHFFFAOYSA-N 939.514 13.826 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1-2 253638882 AFTUJFMZNMVEHV-GOSISDBHSA-N 537.280 6.878 50 1 KKGF FC(F)(F)c1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(C(F)(F)F)cc2)cc1 473154646 JRIQDVMWUWFCHY-UHFFFAOYSA-N 654.752 10.141 50 1 KKGF CCN(CC)S(=O)(=O)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586930636 NJZOVDDLMLYFQW-UHFFFAOYSA-N 534.370 6.680 50 1 KKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587323586 RWSFGFDBTPQWCO-GGAORHGYSA-N 502.292 5.097 50 1 KKGF CCOC(=O)/C(=C(\C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689606 UWHNCMWYVZZLFS-HDLSHWSSSA-N 539.873 5.904 50 1 KKGF Cn1cnnc1SCc1cc(Cl)cc2c1OC=C(C=O)[C@@]21c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963421445 ZBFDRKGSKUHXBG-IEWVHIKDSA-N 626.094 5.113 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OCC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCC[P+](c6ccccc6)(c6ccccc6)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1772607297 TYPABQQCNIEALE-XSMYHEKXSA-N 830.167 12.283 50 1 KKGF CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC[C@@H](C)O)c(CO)c1 2356368874 ASNSDUXCOHSAPN-BJGUVXCQSA-N 736.953 6.443 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@@H](C)NCC2=C[C@H]1CCC2 2356370613 RZBOKHYCUUUYLX-OPDRLTCOSA-N 725.027 5.955 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@H](C1CCCC1)[C@]52CC4=O)CCNC(=N)N3 2356481279 KJYMLMHGIXSSJO-DFEKZAECSA-N 517.805 5.299 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCC[C@H]1Cc1ccccc1)CC[C@H](O)CC(=O)CC2 2356506677 NJJUOMCKEUTSBQ-VAWQRIECSA-N 907.212 6.696 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356702906 BGBRAXXCZRMUGX-VNLLYIBVSA-N 858.129 5.625 50 1 KKGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)OC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]14C[C@H](CO)[C@@H](CC[C@H]12)C4)C3 2356770964 MJZVWOZWBJDDFY-OQJAVDCYSA-N 606.932 9.127 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@@]12O)C[C@@]3(C)O)CCC=C(C)C 2356774496 ZJCXCUZNFKCXMG-XNTHVYSOSA-N 534.737 5.302 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSS[C@H](CO)c4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356779933 ZJGVHPZHYQGHNK-UJGVDDRASA-N 774.153 6.058 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(NCCNC(=O)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c2c1 42835489 ALMLIPYOINXWPN-YIJTWGLKSA-N 610.151 6.219 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(OCC)c1)C(=O)Nc1ccc(C)cc1-2 43523913 AWNGMHPZGRVNBX-MYQGXGEKSA-N 551.307 7.268 50 1 KKGF COc1cccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2cccc(OC)c2)OCCN2C(=O)c3ccccc3C2=O)c1 49898403 LIFUJSPMVWHMFU-ATXIYDNESA-N 710.790 6.386 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(C[C@H](CO)CCCO)c(=O)oc5cc1O2)[C@H]34 85594536 LPMZRDUHYGUTOV-QYCMNFNJSA-N 831.070 5.264 50 1 KKGF biogenic,in-vitro Cc1ccc([P+](Cc2ccc(Oc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4ccc(C)cc4)cc3)cc2)(c2ccccc2)c2ccccc2)cc1 95551653 VEDBTZCFZVIZRI-UHFFFAOYSA-N 748.887 11.084 50 1 KKGF O=C(CCSSc1ccccn1)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 95579048 KZMGAILEOUSKFV-XMMPIXPASA-N 747.302 8.907 50 1 KKGF C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CC[C@@H]6C7=CN=C8C=[N+](C=C78)[C@@H](O4)[C@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 150348929 ZWGXNNQFNLGPFI-ZPSWZGOPSA-O 886.129 6.093 50 1 KKGF biogenic,in-vitro CCC[C@@H]1[C@@H]2C=C[C@@H]3C[C@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@]3(C2)C4 150349180 DYIYOSXVIAXOND-SWGXDYHASA-N 853.143 9.403 50 1 KKGF biogenic,in-vitro CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4ccc(OCc5ccc(C(C)(C)C)cc5)cc4O)sc3c2)CC1 299823193 DUVWBNBWFZVGMI-ALQBTCKLSA-N 585.774 7.266 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(Br)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 299833736 IKEQLHKYNNMPJS-HURDLCFYSA-N 549.509 6.854 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@H](CC[C@@H]4[C@@](C)(O)c4ccncc4Cl)[C@@H]3CC[C@@H]2C1 299847767 DEPMEDSXCRDCRX-RQNSHTRXSA-N 532.285 8.602 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056923 PHCJNFBVRVNHQG-XQNSMLJCSA-N 672.598 6.940 50 1 KKGF Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2)cc1 587369431 HSKVTDCJROKTKC-XNMGPUDCSA-N 525.985 5.371 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)O2 587381641 KRUUHWJHYFYTSH-QGZVFWFLSA-N 512.000 6.000 50 1 KKGF COc1cc2c3c(c1)O[C@H](c1ccccc1P(c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587448600 KGOILAPMEKUXLG-ANPIQPAYSA-N 734.958 10.149 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 587539275 VDAXNDSYHDSBEM-MVSFAKPFSA-N 535.393 7.542 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 587672909 IUVIMDOYNAWIPR-NPMXOYFQSA-N 517.240 7.176 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(I)I)(C(F)(F)F)N1 587739029 SIYRTRLFXLOGRZ-ULHQUTTKSA-N 577.923 5.076 50 1 KKGF O=C(O[C@H]1CCC[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 653713057 YIGIDZHXWUYKIG-ILHZUMNMSA-N 684.674 8.067 50 1 KKGF COc1ccc2c(c1OC)[C@](C)(c1ccccc1NC(=O)CCCl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673492 HOKRHHFPBYQTGH-NDEPHWFRSA-N 561.000 6.252 50 1 KKGF COc1cc2c(cc1OC)[C@]([C@@H](C)Br)([C@H]1CCOC1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679757 SLZCHZNXFBNUOT-YIEPVFBUSA-N 542.392 5.436 50 1 KKGF Fc1ccc2c(c1)C[C@H]1CCCN1C2(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 963094301 CMIWTDIDLONJJM-KXQOOQHDSA-N 711.801 8.655 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccccc3[N+](=O)[O-])[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857549002 NZCFQUCVSQRAPQ-ONAYSHBWSA-N 627.466 5.311 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)COC(C)=O)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O[Si](C)(C)C(C)(C)C 1857629845 WDSMKUOYFZJIPU-OAOWXZOTSA-N 504.740 5.771 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CC1=O)C[C@H](NC(=N)N)CSSC[C@H](CCc1ccccc1)CCCC[C@@H](O)C[C@H](OC(C)=O)CC2 2356366040 YKXOFUONUUOPER-FHBYOGPPSA-N 714.995 5.811 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CC3(CCCC3)CC[C@@H]1CC[C@@H](CO)OC)CC[C@H](O)CC(=O)CC2 2356367487 FNUXVUFAYOGWDY-UFARAOIASA-N 987.339 6.802 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@H](C2CCCCC2)Cc2cccc(c2)C1 2356367762 DRXFNYMIVPIAHR-KQGHPQIBSA-N 759.085 6.422 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356375547 GWJBEOPSMZHVMQ-DGVBBRQKSA-N 779.082 7.350 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCC[C@]78CCC7(CCCC7)C8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356457481 QMZCDBVLEFFHNJ-RLMMGWJFSA-N 969.269 8.669 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356604942 LENSIYIFVVWJNS-SZLMBBBNSA-N 745.102 7.492 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356721823 PHFMYXDGPGNDPE-YCEZDOGASA-N 831.148 5.698 50 1 KKGF CNc1ccc(Cl)cc1C(=O)O[C@]1(C)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)[C@@H](C(C=O)=CO)[C@@H](C)[C@@H](OC)C[C@H]12 2356801337 RMVXUOLEDUZPCE-UPLKFAHHSA-N 548.120 5.803 50 1 KKGF CCCCC[C@@H](C[C@H](CCc1cc(OC)c(O)c2c1CSSCNC1=CC(=CCN1)C2)OC(C)=O)OC(C)=O 2356858303 SYPINHVOHPBYIK-ZEQRLZLVSA-N 578.797 5.523 50 1 KKGF CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(NC(=O)CCCCBr)c2)c2cc(N(C)C)ccc2S(=O)(=O)N1C 27198298 UAQLYOZXAYBRIK-LOYHVIPDSA-N 636.697 6.502 50 1 KKGF Cc1ccc([C@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873713 QHSNDYSTFQPVCK-DQEYMECFSA-N 641.378 6.429 50 1 KKGF O=C(NNC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 43641137 MGNFISNMWNUNHA-UHFFFAOYSA-N 542.280 6.620 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Br)cc1)SS/C(=N/c1ccc(Br)cc1)OCCN1C(=O)c2ccccc2C1=O 95540453 JSJUABNGTFAVEU-YEQLPCBTSA-N 808.530 7.894 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@]4(CC)CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]34 150345911 PCRMMRGBSQYAAT-SYKXPEQQSA-N 697.879 6.309 50 1 KKGF biogenic,in-vitro NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@](CC[C@H](CCc4ccccc4CCO)C[C@H](O)CO)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O 150349099 GTJVNCQLQTZLQO-HSAXRBKSSA-N 1027.340 8.079 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169354546 YCOIJPSIDUQDNN-ZJZAJIQYSA-N 812.448 5.694 50 1 KKGF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 169370816 JPTZDOYPNCQOTF-XCDRYEATSA-N 816.679 6.588 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[Si](C)(C)C)CC[C@H]1C 238737833 XKHSFOSRVMEQJH-RMBIJOBBSA-N 601.077 10.242 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(S)nc(S)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190434 OBMZXPGMKJCOMT-TXJNDQRYSA-N 627.877 5.962 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H](Br)[C@@H](Br)c1ccccc1)O2 587371503 FBUOHWVTDHBOFS-XWGVYQGASA-N 515.245 6.338 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)CC2=O 587497350 VSSVGHRXWJGNLA-ASPBEGMCSA-N 580.190 7.915 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccccc1N1C(=O)c2ccccc2C1=O 587538980 SZOBOKLCKDKLFN-OUTSHDOLSA-N 556.368 5.445 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 587678733 KJHVSTMLWJHLLM-NIVTXAMTSA-N 515.604 5.820 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 587724121 ZKHURNQWKJGIAS-XYZCENFISA-N 531.569 6.313 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)NCCc2cc(C)c(F)cc21 962089666 HNOVVBVXBSJZSI-WFYMMXKSSA-N 659.937 7.170 50 1 KKGF CCCc1ccc([C@@]2(CBr)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962629500 ONTGJHFUQXDYSB-HOFKKMOUSA-N 530.459 5.727 50 1 KKGF COC(=O)C(C)(C)[C@@]1([C@H](C)Br)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963013330 IJSYZXYGQPNIRS-DJGKDQAASA-N 576.491 5.012 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2c(C(F)(F)F)ccc(Br)c2F)N1C(=O)c1ccc(Cl)cc1 963020768 QRPGPPOGCIBTJV-RXFWQSSRSA-N 688.697 7.532 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1c(Br)ccc(Cl)c1F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963779745 WWNNARSUZLRESM-MUUNZHRXSA-N 664.753 6.646 50 1 KKGF COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2OP(O[C@@H]2CSSC[C@@H]2OCc2ccccc2)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1772586160 OKKQBSKAJFVDDH-DKFWRYRASA-N 916.112 9.667 50 1 KKGF Cc1c(Cl)c(=O)oc2cc(OCCCn3cc(CCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)nn3)ccc12 1857629578 HSUQFTPRYAUJJE-XGLMACQUSA-N 630.138 5.583 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356311545 BDCUIUNTQSAWQP-VSCHEDFWSA-N 824.078 8.641 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@]4([C@@]36C)[C@@]12O 2356315925 XWYLJKCURGZVGK-RTQUQWHNSA-N 595.871 5.755 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@]35C 2356358276 OBRCFHXRJRLZHW-PFTHRFGOSA-N 906.261 7.306 50 1 KKGF CC(=CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356544270 JJTXYVOUNQSSNW-QQWHFAEOSA-N 587.636 5.989 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)CNCC 2356762219 IMFJJUNWTSZUJV-CLQDWEKPSA-N 701.005 6.173 50 1 KKGF CN[C@@H]1CSSC[C@H]2C[C@@H]3CC[C@@H]4CC[C@]5([C@H]6O[C@H]7[C@@H](C(=O)Oc8c(CO)[nH]c9ccc%10cc%11ccccc%11cc%10c89)O[C@@]8(O)[C@@H](O)CC[C@@H]([C@H]6C[C@@H]1[C@H]5O)[C@@]78O)[C@@]34c1ccc(O)cc12 2356773810 JIAJSTRUGRLNPQ-NIFXRTGQSA-N 921.147 6.146 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356779602 BOGRIYYVYGFVCR-KFFSGVNPSA-N 963.354 8.853 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H](C(=C(C)C=O)CC[C@]2(C)O)[C@@H](CCO)CC[C@@]13O)CCC=C(C)C 2356779670 WDTKFTNQHRGVNY-XRXVPCLOSA-N 556.784 5.377 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C2=CCNC(=C2)NCSSC[C@@]23C(=O)c4c(cccc4C(=O)[C@@H]2C=C(Cc2cccc(CO)c2)C=C3O)O[C@H]2O[C@@]3(CO)CC[C@@H]1[C@@](O)([C@@H]2O)[C@H]3O 2356815967 CXEZPBDYIIMGEH-GSHOIHDRSA-N 953.189 5.753 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1C1=CCN=C1 2356850960 QCIXJWUZQRCQNY-RGJQVVJTSA-N 901.137 6.297 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145616 LHQFHVUYBYKYEY-DKHYAEBGSA-N 581.797 7.949 50 1 KKGF C/C(=N\NC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(C(C)(C)C)cc1)c1cc(Cl)ccc1O 40402148 FDRZWZMECQFAIP-ZCTHSVRISA-N 501.030 6.409 50 1 KKGF O=C(c1ccc(C(F)(F)F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 72178200 LAKQAJCLGLBKIO-CYYJNZCTSA-N 528.230 7.174 50 1 KKGF NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)[C@H](O)C2CCC(O)CC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1[C@@H](O)C(=O)O 85505432 YMYYGTOIPCUGBB-GAXZQTCESA-N 716.019 5.508 50 1 KKGF biogenic,in-vitro COc1cc(O)cc2c1-c1ccc3c4c1[C@@H](CSSCc1cc(O)c(OCCNC5CCCC5)cc1[C@@H](O4)[C@H]3COC(C)=O)C2 85568415 ZUWPMNCRVDLOTJ-PSCQKOGVSA-N 649.831 7.000 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 85594616 AQRCUZINRQQULQ-RUHAPHSQSA-N 645.803 5.364 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCCC1)c1cccc(O)c1)CC(=O)CC2 85597408 WKTMOPONNARMHW-DKFWVONXSA-N 701.951 9.596 50 1 KKGF biogenic,in-vitro CC1(C)CC2=NC(SSC3=C(C#N)[C@H](c4ccc(Br)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@H](c3ccc(Br)cc3)C2=C(O)C1 95550190 PYJLLZUNSZUMKY-KYJUHHDHSA-N 776.620 11.104 50 1 KKGF C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NNc1ccccc1 95612730 TYTRAJHQSMWBPS-RHNOVZDCSA-N 776.935 6.402 50 1 KKGF Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171104 SEBXXWGNVSZTGZ-KBXBXOKJSA-N 749.183 7.762 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(I)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190514 LKHHDRYFDTWWIA-RJCQRBOISA-N 687.663 7.199 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1 587327056 OFTFLPUBRNFZFI-IGYGKHONSA-N 518.028 7.555 50 1 KKGF COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335218 OAZHGAAAHMKRFZ-REWPJTCUSA-N 520.282 5.237 50 1 KKGF COc1ccc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587674654 YMNJUWBEWJBLML-MLCYQJTMSA-N 522.050 5.532 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 587684998 NJWQPUVRLKVIII-LFPIHBKWSA-N 522.245 6.245 50 1 KKGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 962634124 JTXAKVWHWYOIHJ-RDJZCZTQSA-N 566.214 5.860 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1cc(C)n(-c3cc(C)cc(C)c3)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677799 LEYAAQGPWWIEEX-XIFFEERXSA-N 611.104 7.928 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCCCCCCl)(c2ccc(Br)cc2)N1C(C)=O 963299899 APMNWRBWJJDYRO-FOHSLPDOSA-N 857.220 7.685 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)NCCc3ccc(O)cc35)[C@@H]2C1 963353768 SNUKMJQLQGNMDX-WTKTYMLGSA-N 512.065 5.269 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)([C@H]1C[C@H]3CC[C@H]1C3)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963806480 HANKFVWMJOJFQH-RHDKJKSFSA-N 507.030 5.323 50 1 KKGF CCc1ccc([C@]2([C@@H](C)Cl)c3ccccc3C[C@@H](C(=O)NC)N2C(=O)[C@H](CC(C)C)[C@H](CSc2cccs2)C(=O)NO)cc1 963937650 HEJFHUMZAGSSMQ-XRRDBJAHSA-N 656.314 6.257 50 1 KKGF COc1cc2nc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857618664 QAOJZGYTYUMDNZ-AATRIKPKSA-N 570.631 6.183 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCCCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nn1 1857748385 JXBCANBRUMIOTK-MHZLTWQESA-N 592.787 6.631 50 1 KKGF C=C(CO)C(=O)O[C@@H]1[C@H](OC(=O)C(=CCCC(=CCCC(C)=COC(C)=O)COC(C)=O)CCC(=C)C(C)C)C(C=O)=CCCC(C)=C[C@@H]2OC(=O)C(=C)[C@H]21 2356316079 BPCGMFPONKVIER-KQQMQGIYSA-N 764.909 6.757 50 1 KKGF C=C(C=C(C#N)C=C1N(C)c2ccc3ccccc3c2[C@@]1(C)Cc1ccccc1)[C@@](C)(Cc1ccccc1)c1c(C)ccc2ccccc12 2356348075 YDHALBAMCCXLIR-ZYIRWWKFSA-N 634.867 11.342 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356362773 DVRJWEBPVJJDRP-GJUYNWDYSA-N 741.026 5.417 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356452607 WJKCYHWSJBLXDX-DWYHZGPXSA-N 729.015 5.539 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@@H]1C=CC[C@@H](C)C1 2356482576 QRLRTTIDFWWHKD-MTLLEYCFSA-N 806.097 6.157 50 1 KKGF CC=C(CCO)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356589200 SQSSRBSSTYATII-WNPRGJMGSA-N 703.883 5.193 50 1 KKGF CCCCCCCCCCCCCCCCOOCC1=C[C@H]2C(=O)[C@@]3(C=C(C)[C@H](O)[C@]3(O)[C@@H]1O)C[C@H](C)C[C@@H]1[C@H]2C1(C)C 2356610789 YIJXYOWJBGJASL-KSNVZBSHSA-N 602.897 7.643 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)CC3CCCCC3)C2)[C@H]1CC(=O)O 2356672240 BFSIVCYSFHTQQN-CASAPLFASA-N 692.044 8.617 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356771267 UAOCZJLEILVBDS-BMRKUKOPSA-N 719.020 5.905 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)CCC[C@@H](CC4)[C@@H]3OCCO)C=C12 2356810606 AZFFXGQZTOGGMI-HFLNJDRPSA-N 874.223 6.742 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356823899 GPXLPHNTFSFTLV-BEZOKSBDSA-N 828.962 5.810 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(Oc3ccc(NC(=O)CCCC[C@H]4CCSS4)cc3)cc1)O2 27435481 ZEMGGJPBVMOZPW-IPZQJPLYSA-N 620.837 8.485 50 1 KKGF O=C(Nc1ccccc1)Nc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)cc1 27631676 OAWUPHJBBDRXNY-NDEPHWFRSA-N 703.977 6.844 50 1 KKGF C[C@@H]1CC(C)(C)N[C@H](C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 43211860 GMWDETSLGDDKSS-HJNYFJLDSA-N 577.361 6.305 50 1 KKGF COc1ccc(C2=C(c3cccc(NCCCCCC(=O)OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c3)C(=O)N3CCC[C@H]3C2)cc1 49792004 VCRFRAQJKLNISW-REBGATAJSA-N 674.864 5.769 50 1 KKGF CC(C)CN(NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nc(C#N)ncc1Br 58540908 PYMCIGWDLMIGKR-UHFFFAOYSA-N 508.298 5.197 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Cl 84724935 LPLXRVKYWGHJAP-QHCPKHFHSA-N 548.872 6.414 50 1 KKGF C[C@H]1CC=C[C@]2(C1)C[C@H]1CC#Cc3c(O)cc4cc3C[C@H]3C[C@@H]5C[C@@]2(C=C[C@@H]5SSC[C@H](C)NCc2ccccc2C4)[C@@H]3C1 85543494 NRMLGLTWKIRDSV-VYMOYCRKSA-N 621.956 9.104 50 1 KKGF biogenic,in-vitro CC(=O)N1[C@@H](Cc2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)[C@](C)(C=O)C[C@H]1CCc1ccccc1 195516834 NQKRUOIDANURON-GHPAMLPFSA-N 521.818 7.611 50 1 KKGF C=C(c1ccccc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]43)C2)OO1 253656833 ZOPPIEXJTMDFHN-ZPXIDTFSSA-N 548.852 9.864 50 1 KKGF O=C(N/N=C/c1nccc2ccccc12)c1ccc2c3c(ccc2c1)N1Cc2c(ccc4cc(C(=O)N/N=C/c5nccc6ccccc56)ccc24)N(C3)C1 299867928 QUFLFBVDUOQJRS-BXQOPHAQSA-N 716.805 7.915 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587009345 ARZNENQMQHJPFE-QHCPKHFHSA-N 542.448 5.137 50 1 KKGF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cs2)cc1 587014771 YQCXEBVEUOWSGU-UHFFFAOYSA-N 611.456 9.044 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587056204 NZZILPWVEATQJM-CPNJWEJPSA-N 542.492 6.372 50 1 KKGF N[C@H](Cc1ccc(I)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587183544 DRTWOZCJMGCMCE-GFCCVEGCSA-N 568.147 6.830 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C2\NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 587697255 SHHYBCKBEYTEKL-IOSJULBZSA-N 572.265 6.263 50 1 KKGF CC1=C(C#N)[C@@H](c2cccc3ccccc23)C2=C(CC(C)(C)C[C@@]23N[C@H](C(=O)O)Cc2cccc(F)c23)N1 962907625 HYSUUOOARPMEHN-HWSWFTITSA-N 507.609 6.032 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(OC(F)F)cc1)[C@@H](Cl)C(=O)c1ccc(OC(F)F)cc1 963028078 BZRATSRVSSCQJA-WNJJXGMVSA-N 574.958 6.326 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1CO[Si](C)(C)C(C)(C)C)c1c(F)cccc1C[C@H]1CCCN12 963100532 BKDWMLTXAUNZTI-XJGOYTCSSA-N 504.763 6.463 50 1 KKGF COc1ccc([C@@]2([C@@H](C)Cl)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)cc1 963726861 AWAKOPARMJAJKF-JJCDCTGGSA-N 533.024 5.332 50 1 KKGF Cc1ccc(Cl)cc1-n1nncc1CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c2nc4ccccc4nc2c2ccccc32)c2ccccc21 1772572193 QYBIQNCKQKZBBX-DIPNUNPCSA-N 647.098 6.398 50 1 KKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1 1772621398 OEHFLDTUIUFGOZ-IPBVOBEMSA-N 509.885 5.238 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)NCCc2ccccn2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857547603 OJGJGZREYKFPTA-MLRXYKPYSA-N 593.809 5.305 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C(=O)Cc4cccc5c4CC(=O)N[C@@H]5N)CC[C@@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356353673 BILODWGXWBUWGW-PVBQHFGISA-N 787.101 6.758 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@H](C)O 2356360775 NXBNVXWYSWMPRL-BDJDCIQJSA-N 925.360 6.608 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@@H]5CSSCO4)[C@@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356370371 PCGLNVYRXAGQKG-GADHPJKHSA-N 742.909 5.362 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4Nc5nccc6c5-c5c4cccc5[C@@H]4CCC[C@]64C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356447626 YINMVCVPKBNDCL-CCBXLCTESA-N 861.007 5.824 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCCO)CSSCO4)[C@@H](O)[C@@H]3O)cc(C(=O)O)cc2c1O 2356499500 FAASLSIQZYQJSZ-ZMWVOJJYSA-N 816.988 5.211 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c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c3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H]([C@@]2(N3C=CNC3)CCC3(CCCC3)C2)SSC1 2356838478 MAHHRVBQLBLBSG-DDPZTMODSA-N 702.987 8.275 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356839196 LRSKWIVXIAITJF-WWLUQWOOSA-N 774.018 6.351 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)O[C@H](C(N)=O)C(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1C1=CCN=C1 2356859548 SVWBMFWKXUKIOH-CWBXITQJSA-N 897.061 5.262 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356874132 YTABMZQVCWOQAH-DZDXGBMKSA-N 899.189 6.577 50 1 KKGF CCCCOC(=S)SSC(=S)NCCNC(=S)SSC(=S)OCCCC 4692279 WNMCEVBWQIEBOD-UHFFFAOYSA-N 508.894 5.701 50 1 KKGF COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)[C@@H]2[C@@H](CCCN2C(=O)C[S@](=O)c2ccc(C)cc2)[C@H](Cl)C3)cc1 5542008 FUFMXEHZPUASGK-FXFDROCYSA-N 611.185 5.446 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1cccc(NC(=O)CCCC[C@H]3CCSS3)c1)O2 27434086 WZYMNBQOXLGFCE-RBISFHTESA-N 528.740 6.692 50 1 KKGF Cn1ccc(=Nc2ccc(S(=O)(=O)c3ccc(N(CCCl)CCCl)cc3)cc2)c2ccccc21 29337348 HPSUKQYGVZIPKJ-UHFFFAOYSA-N 514.478 5.528 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCCC3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145566 QFLOHTHTYXENFN-LWPVYFRESA-N 544.780 6.828 50 1 KKGF CC(C)(CN1CCCCC1)C(/C=C/c1ccc(Cl)cc1)=N\NC(=O)N/N=C(/C=C/c1ccc(Cl)cc1)C(C)(C)CN1CCCCC1 82181709 REEXCZBOGXTNGT-KLRMGHIXSA-N 665.754 8.755 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(OCC)cc1)C(=O)Nc1ccc(C)cc1-2 101398075 PNMOGABNWMYHGM-YMRWSMOXSA-N 551.307 7.268 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4cccc(OC)c4)C(=O)N3c3ccccc3)s2)cc1 103180418 ZWYVCFQQHDOPHY-JLFGYZAPSA-N 599.694 5.543 50 1 KKGF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@H](N)CSSC[C@@H](N)C(=O)N[C@H]1CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc31)CC2 150537745 CDYBDRXSYCFASQ-ZRTHHSRSSA-N 951.224 6.180 50 1 KKGF O=C(CCC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2)NNC(=O)CCC(=O)Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2 169301618 RPKDUSNTVQLLLU-BKWDYQQYSA-N 841.066 5.387 50 1 KKGF COCO[C@@H]([C@H](CN=[N+]=[N-])c1ccc2c(c1)OCO2)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C 195366624 GFBWWCPTWVETOS-KDXIVRHGSA-N 509.676 5.340 50 1 KKGF CCOP(=O)(OCC)O[C@H]1C[C@H](n2cnc3c(N(CC)CC)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195468527 ABAHDYXYXVVXMY-XUVXKRRUSA-N 557.705 5.548 50 1 KKGF CCCCC[C@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 210373552 UZADIEWYASJXAI-DPDRHGIRSA-N 771.922 10.194 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7C/C=C\C[C@H]6O[C@H]5CCC[C@H]4O[C@H]3C[C@H]2O1 255233776 MGVIMUPHKPHTKF-NEMSEDPDSA-N 867.086 5.951 50 1 KKGF O=C(NNC(=S)Nc1cccc2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828226 TXSFDWOVSBWFPA-UHFFFAOYSA-N 506.675 6.487 50 1 KKGF O=S(=O)(c1ccc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1)N1CCC1 586956140 WGNREIKUEXMKAA-UHFFFAOYSA-N 552.772 6.698 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587327461 GQNCYKPOIAEKRX-RBBKRZOGSA-N 513.256 6.339 50 1 KKGF O=C1C[C@](CBr)(c2ccc(-c3sccc3Br)cc2)Oc2c1ccc1c2CCCC1 587531017 IFUUTMMLMLUKKX-DEOSSOPVSA-N 532.297 7.312 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(I)cc1 587568297 HILULMGSZHEELP-NQIIRXRSSA-N 537.147 5.249 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(F)cc1 587571692 OPMFEVLQHQDQCI-STDYSUACSA-N 506.961 5.747 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)N1 587672820 IGZXQSWNPSUGKJ-JRVVOHRXSA-N 523.671 7.156 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)C(Br)Br)cc1 587875272 QGPZKRPVYJCDGQ-UHFFFAOYSA-N 518.032 5.002 50 1 KKGF COc1ccc(Cl)cc1C#CCc1cc(OCC[C@H](C)CCCC(C)C)c(CBr)cc1OCC[C@@H](C)CCCC(C)C 587899108 ZORDQXUUUSUAFK-XZWHSSHBSA-N 662.193 11.300 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962710075 LELMTBPAKLENHO-QGRQJHSQSA-N 784.452 7.071 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCCCl)(c2cccc(Cl)c2)N1 963166140 CLXIRPAEPHXZQP-RBBKRZOGSA-N 508.795 7.044 50 1 KKGF Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)c4ccoc4C[C@@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c2)cc1 963205705 XLSQWKPNCPRYDF-ZJJOJAIXSA-N 657.144 6.369 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5ccc5cccc(c65)[C@@H](SSCCC[C@@H]3O)[C@@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356291712 BWSXWTIAMOWIFE-XBRYVAHKSA-N 908.198 10.528 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNc3cc(ccn3)C2)CCCC1 2356313479 BIVDNPGHZCPBDL-CKHFTFPASA-N 730.009 7.983 50 1 KKGF CNCc1c(O)c2c(c3c1CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@H]1N[C@H]3CCC[C@@H](CSSC[C@@H]1O2)C3 2356317483 VMVNJACIQVYSMQ-ASCJOYAKSA-N 927.202 8.511 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@H](CNC3CCCCC3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSSC[C@@H](C3)C[C@H]12 2356354706 PDIWDWIZZIMVLK-FPOJSVJHSA-N 727.181 11.132 50 1 KKGF CNC[C@@H]1SSC[C@H]([C@@H]2C[C@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@@]1(NC(=N)NC)C2 2356372080 XTAIHWXIGKTBQY-GNTUUYRMSA-N 796.025 5.618 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)CCC=C(C)CCCC(C)C 2356373290 XMLPKUYKVUHGKU-JALLVGJNSA-N 600.881 6.793 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2O)C12CCCC2 2356408311 BEERVUVFHSNLLS-ICIIUSDISA-N 867.232 9.101 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@H](C)C1(C)C)O[C@@H]2O 2356615274 CHCVEXNSFVRPDV-XUWNGSOGSA-N 654.973 9.496 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H]1[C@H](CCCO)C=C[C@@H](C4=O)[C@@]512)CCNC(=N)N3 2356625682 VVTJDKSPCDTYSM-VSYZKSHTSA-N 515.789 5.075 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCC4)C3)c2)N1 2356735438 YFRNFMMGUABSCI-HKBPTBDVSA-N 851.189 8.607 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356819664 FDUMTQXSFXQREJ-UFWJEKHVSA-N 760.079 8.064 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356824152 GSZJLLQQHIZLCM-FZGDDGPLSA-N 861.140 5.405 50 1 KKGF CC[C@@H]1C=C[C@]2(C3=CCN=C3)CSSC[C@H](c3cc(O)c(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@H]2C1 2356845471 OFEQRVHKEZTUCV-FCMGMCGZSA-N 545.723 5.466 50 1 KKGF C[C@H](CCCCl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@@]21C 2356848473 PFDPEDJNJSTNLH-PXQKAWSLSA-N 557.171 5.286 50 1 KKGF CC(=O)Oc1ccccc1C(=O)Oc1ccc2ccccc2c1/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1 64490589 ICQQXCFFGHOVQV-JEPNHJGPSA-N 568.589 6.292 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H]([C@@]23CCC[C@@H]2C=Cc2c[nH]c[n+]23)SSC1 85596430 XDRJWLJKLHWSHN-AYETVPJUSA-O 645.871 6.591 50 1 KKGF biogenic,in-vitro COC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 137363997 SFXFJEZXIQVKPD-RTJJYHEMSA-N 539.463 5.668 50 1 KKGF N#CC1=C(NC(=S)Nc2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 150539896 RRDZOAQEQWUQSJ-SANMLTNESA-N 624.575 5.973 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C#Cc3ccc(C#C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297443 BERYWFCESQEWRJ-FULCRSGHSA-N 658.832 6.891 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN[C@H]3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4Cl)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312605 UJJREGBVVHFIQS-XZYDRHFVSA-N 676.182 5.220 50 1 KKGF Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171153 QSVJJFGGTNOGQD-CERRFVOPSA-N 618.920 5.762 50 1 KKGF C[C@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I 195479945 DJBHCAQXADHLMR-JCGVWPSHSA-N 742.499 7.544 50 1 KKGF COc1ccc(O)cc1[C@H]1OC[C@]2(O[Si](C)(C)C(C)(C)C)[C@@H](Oc3c(OC)cccc3OC)OC[C@H]12 211482858 KRECIWDVCXDIOE-GGYRDWNHSA-N 518.679 5.301 50 1 KKGF COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC[C@@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 254047109 UTSZXQPSRBHBFS-JEHWQWRHSA-N 713.054 10.448 50 1 KKGF CN1C=CC(=C2C3=NC(=C(c4ccc(C(=O)NCCBr)cc4)C4=NC(=C(c5cc[n+](C)cc5)c5ccc([nH]5)C(c5cccc(C(=O)NCCBr)c5)=C5C=CC2=N5)C=C4)C=C3)C=C1 377576679 ILRKLXVQRXQFRJ-UHFFFAOYSA-O 945.740 8.334 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Br)([C@@H](C)Br)N1 587671305 QKVSAZZSGVHCPG-PJYBLOJUSA-N 506.051 5.912 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 587678910 KZNVPXJLULCNCR-FVINQWEUSA-N 515.604 5.343 50 1 KKGF O=c1c2ccccc2c(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1CC1CCCCC1 653843541 XVLZZGZLCWFBLX-UHFFFAOYSA-N 651.811 8.797 50 1 KKGF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1C[C@@H](Br)[C@]21c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962574118 PFVBODUOBFTSBM-AHGDDDDNSA-N 761.713 8.392 50 1 KKGF COc1cc2c(cc1OC)[C@]1(C(C#N)=C[C@]3(C)C4=CC(=O)[C@@H]5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962684071 YPZIIAUDEBQAFR-RYDMJGIFSA-N 826.997 10.352 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@@]2(CCC3)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963066543 DTVAQWTZWWRXGL-OWBCLBENSA-N 885.910 10.593 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CCl)CCc1ccccc1 963067661 RBCXVYLAJMFOER-LXWOLXCRSA-N 513.034 5.232 50 1 KKGF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(F)cc1)[C@@H](Br)[C@H](Br)c1ccc(F)cc1 963131236 MOBRUEVGGHXSTC-GPXNEJASSA-N 551.225 5.952 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cc(Cl)cc(I)c2)N1 963184752 TYSPVEFYHZHFIB-SUMWQHHRSA-N 609.007 5.854 50 1 KKGF CCOc1cc([C@H]2C(C#N)=C(C)NC3=C2[C@@]2(CC(C)(C)C3)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 963199198 PPHYLTIYCYKLLS-RQQKXOFKSA-N 711.815 8.098 50 1 KKGF N#CSC[C@@]1(c2ccccc2F)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963206905 ZHQYFPKQXOLNDU-JTSJOTPCSA-N 554.599 6.137 50 1 KKGF O=C(NC[C@@H]1CCCO1)c1cnc2c(SSc3cccc4cc(C(=O)NC[C@@H]5CCCO5)cnc34)cccc2c1 1772626378 FXNCJJMCBRERPX-ZEQRLZLVSA-N 574.728 5.400 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCC 1857598496 NFMLLJXNIDLZOJ-FMARWTIOSA-N 631.890 8.880 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSS[C@H]2C=Cc3c(ccnc3N2)C1 2356292096 KDYWWPSYEMEEIG-GVDNSKMFSA-N 600.806 7.521 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCC3)c2)ccc(O)c1OC 2356292987 YBXOPLDFUVGQFH-XMMAQMABSA-N 974.299 9.755 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356299413 CHRYVEKIFGNIEW-ROXHGRDNSA-N 877.231 7.779 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1O 2356323137 IUDYVLGONCYFPN-MFHABXFPSA-N 943.447 11.939 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356353902 UIUXABQNJWNJRT-MTDUDUQASA-N 827.204 7.920 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CC[C@@H]8CCC[C@@H]9CCC[C@@]9%10CC[C@]87C%10)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356362956 ITHDMOILASLOCD-NXLWCVABSA-N 995.307 8.915 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356388931 YIGZEBATTSRTAO-KZWSZHEOSA-N 962.278 5.598 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356714839 LBSCWHVDFSPREN-ZMYMBUMOSA-N 688.957 5.737 50 1 KKGF CC(=O)OC(C)(C)[C@H](C)[C@@H](C)CC(C)=C1[C@H](OO)C[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356799546 UOFXQDRLLWOZKL-NNJOYNRPSA-N 536.750 5.264 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356822254 FTLABEDARYDBMG-TUJOLIIHSA-N 853.209 7.060 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(C)C(=O)O[C@@H]1C3 2356835892 KVGFOFZVYGPUBL-CGNWTPAZSA-N 780.929 5.607 50 1 KKGF 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KKGF C[C@@]1([C@@H](Br)Cc2cccc(Cl)c2F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832258 MNFHQWLNPRLTJB-IGKIAQTJSA-N 527.865 6.907 50 1 KKGF CCOC(=O)c1ccccc1[C@@]1(CBr)c2ccccc2C[C@@H](C(=O)NC)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937781 HONHHAFAIBRSDB-WHHUUDKESA-N 730.747 5.639 50 1 KKGF O=C(CCl)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(Oc5cccc(C(F)(F)F)c5)c(Cl)c4)c3cc21 1772584114 OSYFQPJNLCUQEU-UHFFFAOYSA-N 593.345 6.528 50 1 KKGF COc1c(Br)cc([C@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1Br 1857535185 LMVLBCHMBMDOET-GOSISDBHSA-N 520.608 6.245 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857620426 UGCAUPHCLIITKY-INIZCTEOSA-N 529.427 5.406 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C6CCCCC6)CSSCNc6cc(ccn6)CC3=C4C(=O)O5)[C@H]21 2356314556 VAIJUJRYLJEZIO-QZXYKOELSA-N 644.903 8.686 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@H]4[C@H]2O)O3)c1O 2356359538 MYXJGAGPAMHZKR-XSOLYVNWSA-N 781.002 7.831 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SS[C@H]5C=CC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@@H]2O)O3)C5)c(O)c(OC)c1O 2356359725 RGPVUBVHEWFNBM-PSCRZVIMSA-N 736.905 6.437 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NC[C@@H](C)O)c(CO)c1 2356363110 HFJYAEKLXVECAL-LJWBYXRESA-N 746.992 8.033 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1cc[nH]c(=N)c1CSS2 2356379851 JTCKOCDJPKWDEH-UUIGTCRRSA-N 686.812 5.248 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356552472 QZCDTCUBNVZXQB-KPGCERPASA-N 924.232 5.064 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCC3(O)CCCC3)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 2356775566 NHNMGQOAZVFFMM-FROVXTLLSA-N 540.785 6.283 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@H]2O[C@@]24CCCC[C@H]3[C@H]1OC4=O 2356821680 GDLASVWKZHCBLF-CYXYJMKZSA-N 825.026 5.980 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356831961 HYNQEMLYTDBECY-UHWWXUSPSA-N 857.016 6.372 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356836873 LEOPHMYTMTZZMW-LNUJZFLCSA-N 639.968 7.292 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356851133 QERRFFAURPVZHC-YNSRZYNSSA-N 756.043 7.760 50 1 KKGF CC[C@H]1C#C[C@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6c[cH-]cn6)c6ccnc(N)c6CSSC[C@H](CO)[C@H]5O)cc4[C@@H]3C[C@@H](O)[C@H]2[C@@H](OCCO)CCCC1 85631666 AAZULLFAWUYJNY-BQOMIGGFSA-N 817.107 6.446 50 1 KKGF biogenic,in-vitro COc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc1 102265983 JLPZIBLWGIFRCF-WZFXSJOFSA-N 578.658 5.721 50 1 KKGF O=C(c1cccc(Cl)c1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2cccc(Br)c2)o1 103185687 WBQDMLSBXHIHGG-YADHBBJMSA-N 607.675 6.644 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](O)C3CCCCC3)[C@H](C3CCCCC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344096 MPDXWROKPVNXFQ-QGWYEGHDSA-N 975.331 10.569 50 1 KKGF biogenic,in-vitro C[C@@H]1C[C@@]2(N=C(N)CS2)[C@@]2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO[Si](C)(C)C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO[Si](C)(C)C)C[C@H]3O[C@@H]2O1 253952222 YWIXZKRJXAPZTD-RAHOPMBDSA-N 835.342 8.059 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cnn4cccc(Br)c34)nc2c1 587006930 SFVXGCPANQBTPW-UHFFFAOYSA-N 518.103 7.060 50 1 KKGF COc1cc2c3c(c1)O[C@@]1([C@@H](Br)C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587411062 BJWSVEOXGHTVPD-MEIPZXRYSA-N 529.515 5.958 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(OCC)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)CC2=O 587494039 HSLRXEMJBZGZOO-DRKIFQHWSA-N 568.135 7.016 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537416 FFVSZLGWCHKKRR-LEDOBFOHSA-N 503.732 5.141 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 587685634 RAOLFJODDKJMQM-PUAOIOHZSA-N 501.827 5.982 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@]2(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)N1 587694668 PWZFBZCBPCALCT-VGZXIPJXSA-N 735.518 7.631 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 587712922 BQGBEJRKHBRJFY-ZRNGKTOUSA-N 545.140 5.964 50 1 KKGF Cc1c(C)c(C)c([C@@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1C 962566318 FLAYJLHWVFPUFB-PJTQZDKOSA-N 595.139 7.367 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2c(Br)cccc2I)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962711886 MUYBETVYHCSBJW-QGRQJHSQSA-N 865.351 7.809 50 1 KKGF COc1ccc([C@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 963019441 OVGIOWVAVYKAFB-WXVAWEFUSA-N 598.837 5.528 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2cc(Cl)ccc2O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963087084 LGIZUNNFNLPZKE-SHUZPENHSA-N 638.989 7.988 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2[C@]2(CCC3)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 963102937 XNCKAESKVXNEQK-FDLFMFRDSA-N 685.824 8.140 50 1 KKGF COc1c(Br)ccc(Cl)c1[C@]1(CBr)c2c(F)cccc2C[C@H]2CCCN21 963106878 OARRSAHIYCMBPF-XCLFUZPHSA-N 503.637 5.909 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CCCCCCCl)c1cccc(C(F)(F)F)c1 963152343 UHSBACKTZYZMHO-NTKDMRAZSA-N 547.039 6.841 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@]2(c3ccc(OC)cc3C[C@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364664 GMNFZWQWEJDORZ-GTXBZULCSA-N 640.530 6.313 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963807630 KSMVWVBQXHVYDF-DHUJRADRSA-N 648.106 6.944 50 1 KKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1cc(C(C)(C)C)c2oc(C(=O)c3ccc(Cl)cc3)cc2c1 1857758042 PDOUMQDDTUZBML-RUZDIDTESA-N 529.036 7.066 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@@](C4)([C@]12O)[C@@]36C 2356308765 WIDIQTFKYQESKU-ZOZSRIFXSA-N 595.871 5.755 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356318259 CDIVCRXMRMAMGC-JORLZNPMSA-N 703.971 7.592 50 1 KKGF CC(C)=CCCC(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)=C1CCCCC1 2356767439 BEZCYMDSTHRDBG-QVHKJOIGSA-N 554.812 6.675 50 1 KKGF OC1=C(Oc2ccc(Br)cc2Br)C[C@@H](Br)C=C1Br 2356802248 SADGIZRIFDKNBO-ZETCQYMHSA-N 503.810 5.806 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C[C@H](CO)CC[C@H](O)CCC(C)C)c(=O)oc5cc1O2)[C@@H]43 2356813526 CHSIZPIMAKEFHI-HOVXPSLFSA-N 931.231 5.897 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O 2356837280 LIXUPVAYPKONRA-IBMFNQPHSA-N 806.967 6.312 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356863980 VJSYMSTYQQNTEV-BKYVHZKJSA-N 729.965 6.716 50 1 KKGF COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5c([N+](=O)[O-])ccn5C)c5ccccc5c43)[nH]c2c(OC)c1OC 27643744 MNTGNYPKWOYDIS-HXUWFJFHSA-N 648.072 6.325 50 1 KKGF O=C(NNC(=O)C1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1 49771684 PHZUWEPUYLOBLW-UHFFFAOYSA-N 572.884 5.481 50 1 KKGF C=CC(=C)[C@@H](C[C@@]1(C)[C@@H]2C[C@@H](OC(=O)/C=C\C=C\CCCCC)C=C3[C@@H](OC(C)=O)O[C@@H](OC(C)=O)[C@]32[C@H](O)C[C@H]1C)OO 72126769 HXZWRWDSAJYAQI-ASVRBJFWSA-N 616.748 5.730 50 1 KKGF C=C(C)[C@H](CC[C@@]1(C)C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)=C(C)CC[C@H]1O)OO 96902418 JKSNJIROFMMOOT-WNUZCMFCSA-N 508.740 5.944 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5)cc4O)sc3c2)CC1 299822585 AOFFXMRINYZVLD-WCMJOSRZSA-N 564.111 6.622 50 1 KKGF CC(C)=CC[C@]12C[C@H]3C[C@@H](C(C)(C)OO)OO[C@]3(C)C[C@](CC=C(C)C)(C1=O)C(O)=C(C(=O)c1ccccc1)C2=O 299857210 DWXZAOPXBPXHQB-NCOLDTQESA-N 566.691 6.676 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1 587678195 JVLRSVMKDXBCSU-DHTHFVMWSA-N 630.577 7.381 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(I)cc2)N1 587738730 QLYGGWSMWWQRDG-BMLIUANNSA-N 539.024 5.366 50 1 KKGF CC(C)(C)[Si](O[C@@H]1CCC[C@]2(C1)OOC1(O2)[C@H]2CC3C[C@H]1CC(C(=O)NCc1ccccc1)(C3)C2)(c1ccccc1)c1ccccc1 621485890 RRBQCYNTRBRQET-XEPXOECQSA-N 651.920 7.019 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c15 962974660 KYGUCSOLNZMYCX-DCDTYPQFSA-N 696.590 6.558 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCl)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 962987901 NJZVCDKVEHQZNL-UMSFTDKQSA-N 635.544 6.634 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)c1ccc(Cl)cc1Cl 963138526 GSRPLJDUDHJHFD-IFXJQAMLSA-N 522.248 5.335 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)NCC21CCOCC1 963188180 NBMCPHILQXIKHQ-XTEPFMGCSA-N 542.901 6.388 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)c4c(cc([N+](=O)[O-])c(O)c4[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c2C)cc1 963241620 WHIBHQPCQGTTON-OMGNGIFRSA-N 767.191 7.758 50 1 KKGF Cc1onc(-c2ccc(Cl)cc2)c1[C@]1(CBr)c2cccc(Br)c2CCN1C 963290507 XMFYKBDSDDEZGT-NRFANRHFSA-N 510.657 6.192 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(S(F)(F)(F)(F)F)cc2)N1C(=O)c1ccccc1 963441138 ASJQRCWQURBLIS-JTHBVZDNSA-N 522.495 7.066 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccccc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946491 GZPYHFUXDZSWQS-AXTFLGFSSA-N 658.684 5.462 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857576617 YZPNBVCPXOHDSB-MRXNPFEDSA-N 529.427 5.406 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)NCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1911575414 CTKUYTOZNKBBRG-SNLPZDPFSA-N 544.092 5.447 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(NC(=N)N)CSS[C@@H]4C(O)O)O[C@H]21 2356317026 KQNHDYCFVCTSBL-XWHGFRDYSA-N 837.030 5.106 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356353954 DSQZKSJZYCSNKR-RWFYQKHYSA-N 790.994 5.452 50 1 KKGF CC(C)=CCC[C@](C)(O)[C@H](O)CC=C(C)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356383539 PWDGMEJVFFOABR-GHAADTHFSA-N 571.637 6.778 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@@]5(O)C[C@H](NC(=N)N)CSSC3)O1 2356418555 NABLKLNXVOBRAQ-RHCGSSAOSA-N 680.849 5.016 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(CC3CCCCC3)=C[C@@H]12 2356422264 KVINWTVMYISUJO-XKVQFJCCSA-N 764.963 5.631 50 1 KKGF O=CC(=Cc1cc2cc3c4c(c2o1)CCCN4CCC3)CCC=CC1=C[C@@H]2C=C3CCCN4CCCC(=C34)[C@@H]2O1 2356706949 BQIBBZYDPMFYTP-UVMFRMCBSA-N 534.700 7.033 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@]35C 2356708888 GYGPHXHVVMDRKV-YDLHZRQWSA-N 902.273 8.335 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356743853 IAUADLMEROEUCM-BTJUIPFNSA-N 776.116 5.539 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2ccc(O)c(OC)c2)C2(CCCC2)SSC[C@H]1c1cc[nH]c1 2356779527 VAUAYSYPOZVOEG-WDTRASESSA-N 559.794 7.392 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@H](O)CCCC1 2356815184 CPKCTBXOLUCSLM-ZUZGRLBKSA-N 776.078 5.699 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](C3=CCN=C3)[C@H](C[C@@H]3C=CC=C[C@H]3C)[C@@H](OC(C)=O)CC(=O)C2)ccc1O 2356851003 QCWWXAKWTVFDPT-BRMOJXGISA-N 555.762 6.172 50 1 KKGF CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]3(C)CC[C@@H](O[C@H]4OC[C@@H](O)[C@H](O)[C@@H]4O)C[C@]34C=C[C@]12OO4)C(C)C 263591271 SKTNUBYPBAJOEK-IZHSLWASSA-N 574.799 5.327 50 3 KKGF CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNC(=S)NNC(=O)Cn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)CCC[C@]21C 28231071 YBKQGIVRWXQJJS-KVFIQDKASA-N 669.767 7.139 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49833587 DFPBBOCDGYBNBR-IVEQHPNFSA-N 550.689 5.419 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@@H]1C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O 103236169 AOSGMEAISQAECD-LFYKXQBQSA-N 513.458 5.131 50 1 KKGF CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2ccc(Cl)cc2Cl)=C1C#N 103950784 XKQCVOWLNHMSKC-FQEVSTJZSA-N 538.315 6.056 50 1 KKGF COC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 137364058 SFXFJEZXIQVKPD-KWNCXWPFSA-N 539.463 5.668 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSC3CCC(CC3)CC[C@H](O)C1)CC2=O 150348707 ZMHURSBPOCIBJR-JRFXOQJZSA-N 823.139 6.426 50 1 KKGF biogenic,in-vitro CC(C)N1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 207725838 BICRABDPLNFWOV-ZQBMCQTHSA-N 651.791 5.425 50 1 KKGF C[C@@H]1CC[C@]2(C)C(C=O)=CCC[C@H]2[C@]1(C)C[C@H]1O[C@H]2O[C@@]3(O)[C@H](O[C@H](C[C@@]4(C)[C@@H]5CCC=C(C=O)[C@@]5(C)CC[C@H]4C)[C@@]34CO4)O[C@]2(O)[C@]12CO2 255226605 LKJYEAJRWPUOGW-NHXCFPQTSA-N 696.878 5.134 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4ccc(OCc5csc(Cc6ccc7c(c6)OCO7)n5)cc4O)sc3c2)CC1 299822554 AKOGMXLERGXLPZ-QNVXDBMFSA-N 670.817 6.744 50 1 KKGF COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586958980 JSCQDENYJBFTSY-FQEVSTJZSA-N 646.542 9.269 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586974528 XPKAXEJFPLPTRX-AWEZNQCLSA-N 504.837 6.064 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053766 ACUOQJVDCOAODA-AUWJEWJLSA-N 525.745 7.893 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 587803316 OWENRKRPCMYNOX-OERQNHJWSA-N 518.386 5.866 50 1 KKGF COc1ccc([C@@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587938634 XWXLWCURZLXZEK-LJQANCHMSA-N 519.333 8.172 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)c2C)cc1 962703659 MQDKVRKKRCMQQY-DHLKQENFSA-N 538.925 5.120 50 1 KKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963030661 ZUWQTHBXGLRTPS-IWHLBADBSA-N 604.303 6.987 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)NCCc1cnc2c(OC)cccc2c13 963059263 QBNDLOOOAGBDTL-NLWSSTCXSA-N 663.230 6.730 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2[C@@]2(CCC3)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 963102932 XNCKAESKVXNEQK-DNFVJTBLSA-N 685.824 8.140 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 1857561272 UVSRXUYQBDAGKD-HDTLSCSRSA-N 555.951 6.584 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCOc3ccc4c(C(F)(F)F)cc(=O)oc4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857633973 YMOPCFLNXHNULY-WWXKQRFDSA-N 554.558 5.805 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nn1 1857635395 IYENTSQAACIYSS-VWLOTQADSA-N 564.733 5.851 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356299554 DKSBHUBZUKWLRK-OJHHADDVSA-N 931.323 8.949 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)([C@@H]1CCC2(CCCC2)C1)CC[C@H]3O 2356350441 CGLJFDZQEDMIOJ-SJUSODPVSA-N 977.427 11.901 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356359140 DNFFRHFBFSPDCH-HLVDKIJKSA-N 861.174 5.059 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4[C@H](CNC(=N)N)[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@]34C)[C@@H]2C(=C51)CCCC21CCCC1 2356442327 YFAWYFXIRDGKSA-KSAWTOBCSA-N 940.374 8.386 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@](C)(O)[C@H](Cl)CC[C@]3(C)O[C@@H]3CCC(C)=C[C@H]12 2356644509 JLHAOQMKTFIUTM-SQSVGCFHSA-N 719.400 7.492 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@]4(C=O)OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CN[C@H](O)[C@@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356823263 GKMARRBSAMQWQD-KRUSQZQBSA-N 976.095 5.418 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3[C@H]1C=C[C@H]4CC1 2356824140 GSWKIRPBJKKPDT-UIDWGVGJSA-N 849.048 6.002 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H]3NCC[C@@](Cn4ccnc4)(SSC1)C3=C2 2356864590 VWXDLQDQGBJMML-TUJMVGRMSA-N 594.803 5.055 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356868414 XBHGSGMMYJIZBR-OJQOYZPQSA-N 817.087 5.797 50 1 KKGF O=C(O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N2 3670121 IZYGMLSUEPIQQQ-DROZZWDISA-N 525.970 6.240 50 1 KKGF COc1ccc(N(CCCl)CCN/N=N/c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)cc1 28646528 RHDJKVOUEVEVHF-UHFFFAOYSA-N 510.429 6.369 50 1 KKGF C=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@H]1Cl)C3=O 83924205 TUASWIIAAPWHMO-HRQZBMBVSA-N 513.845 5.836 50 1 KKGF in-vitro O=C1C=C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 84619174 FBSSSHITBFRFCY-UHFFFAOYSA-N 559.710 8.497 50 1 KKGF CC(C)=CCCC(/C=C/C=C(/COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 85544451 HZKYWBHFMNTRJC-IHFLYNBSSA-N 628.891 6.052 50 1 KKGF biogenic,in-vitro C[C@]12CCSSC[C@]34C[C@H](CSSCc5cccc(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549295 DXKBGPCPTODFGM-PRFBFXKCSA-N 688.063 6.261 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597310 QWGCJUCPEHGEJR-QRNGPGCPSA-N 793.017 6.794 50 1 KKGF biogenic,in-vitro CCOC(=O)C1=C(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 100078326 RZDVJJXLJLYIMX-HOFKKMOUSA-N 585.034 5.071 50 1 KKGF C[C@]1(C(=O)OC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@H]12 195331326 CXSWMXMKWWOTPK-MMPFXKTNSA-N 530.705 6.888 50 1 KKGF CC1(C)OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2O1 205914627 OZIBRGULCDBDDD-UHFFFAOYSA-N 991.125 12.209 50 1 KKGF CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)C(C)=CCC(C)=C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C=C(C)C=C(C)C=C[C@@H](O)[C@H](C)[C@H](OC)C(C)=CC=C[C@@H]2C)cs1 253668257 YTBWOCCYQFKYFH-GRYGZSNOSA-N 853.296 12.093 50 1 KKGF CC(=O)N1[C@H](CCc2ccccc2)C[C@](C)(C=O)[C@H]1Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 254077820 NQKRUOIDANURON-AFEGNUHBSA-N 521.818 7.611 50 1 KKGF COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc1OC 299824972 FFJRMBOOXNVNAI-HHHXNRCGSA-N 540.616 6.051 50 1 KKGF CN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(F)cc1 587169375 CGGPPWFDLMDDML-UHFFFAOYSA-N 524.306 5.943 50 1 KKGF O=C1CC(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)Oc2c1ccc1c2CCCC1 587534334 YZXRDODBLQFYLS-UHFFFAOYSA-N 722.805 8.991 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 587685627 RAOLFJODDKJMQM-IVCQMTBJSA-N 501.827 5.982 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cccc(NC(=O)[C@@H](C)Cl)c12 587688893 OICKPSGTGULDDT-UPINHGDLSA-N 527.821 5.525 50 1 KKGF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587926957 MHWXZTLCSLGSCO-GFCCVEGCSA-N 501.315 7.542 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccc(OC(=O)[C@H](C)Cl)cc2)([C@@H](C)Cl)N1 963158827 CQJQTCFCLQYONQ-AVIDACFFSA-N 694.659 7.370 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(F)cc2Br)N1 963183180 NYGLWWKXXLEZCD-DOTOQJQBSA-N 545.552 5.498 50 1 KKGF Cc1c([C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(=O)n(-c2ccccc2)n1C 963212408 DOFUHLNFXICHSH-LUPQGNFSSA-N 740.125 5.749 50 1 KKGF Cc1cc([C@@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1 963230832 IQOPSOBJELRFJA-YAYIQTBWSA-N 723.138 7.359 50 1 KKGF Cc1cc([C@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)c(C)n1-c1ccc2c(c1)CCC2 963702609 KIHOCRFDBGQWLB-IGVZRYHESA-N 598.143 5.179 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCOC(=O)CCCC[C@@H]4CCSS4)c4ccccc34)[C@@H]21 1857749420 WEPZDWYDGRJANV-PIIWDFAUSA-N 535.735 6.046 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSSC3 2356298840 FMVGUUPJJBFKRF-MYIMUGEHSA-N 903.176 8.579 50 1 KKGF C=C(C=C(C#N)C=C1N(C)c2ccc3ccccc3c2[C@]1(C)Cc1ccccc1)[C@](C)(Cc1ccccc1)c1c(C)ccc2ccccc12 2356348072 YDHALBAMCCXLIR-KBRGEABDSA-N 634.867 11.342 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@@H]2NC(=N)NCCc1cccc2cocc12 2356366337 GCJUCKPRWHEEKS-WKIWXYEQSA-N 847.249 8.348 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@@H]([C@H](O)[C@H]64)[C@@H](C2)[C@@]1(C)C[C@H]3CNC(=N)N 2356374386 UWUQIPRFJNQVCF-ISFSNRQISA-N 903.313 6.415 50 1 KKGF CC(=O)O[C@]1(C)C(=O)O[C@H]2C[C@H]1C[C@@H]2[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@H](OO)C1=C(CC3)C(C)(C)OC(=O)C=C1 2356489000 GOYJHQBWJDXLDK-BCSUDVRMSA-N 554.680 5.613 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C(=O)Cc4cccc5c4CC(=O)N[C@@H]5N)CC[C@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CC[C@@H]1NCC)CCSSC2 2356671958 QKKJNHHSYPGFDU-VFOFWTNVSA-N 830.170 6.346 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356682931 BBYHPXZSKHVDTB-NOSZNVAOSA-N 877.220 7.291 50 1 KKGF C[C@@H]1C(=O)O[C@H]([C@](C)(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C 2356702728 RBEUVCBWGYYPIB-HSNCCLSUSA-N 574.834 7.334 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)c1O 2356737574 FBXJFSXQWQKROH-FOYQTZOMSA-N 738.965 8.227 50 1 KKGF CC(=O)OC[C@@]1(C)[C@H]2CC[C@]3(C)[C@H]([C@H](OO)C=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]43C)[C@]2(C)CC[C@H]1OC(C)=O 2356751142 UKENQNLKEMTBEX-KIWXIYOSSA-N 588.782 6.816 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356771270 UAOCZJLEILVBDS-OZLFOHETSA-N 719.020 5.905 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@H](O)C5 2356774257 UGEQXQQTYQVGHZ-MGFARAGJSA-N 908.277 7.387 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](C5)C5(CCCCC5)SS3)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356838789 MDEIXHOOGUJEQO-QQZSXYKFSA-N 808.163 10.490 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSSCNC6=CC(=CCN6)[C@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356850098 POCLVCJYLMZOJD-WFIVAVJOSA-N 687.884 5.578 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1CCC3=C4C=C(NCSSC[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@@]6(CO)C=C[C@H]([C@@]41C2)[C@@](O)([C@H]5O)[C@H]6O)NC3 2356867561 WSZSTPHGWUMDFW-UDKNSSPKSA-N 977.211 5.919 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356874131 YSZZKDNUCDDBDY-SVMZESKWSA-N 877.231 7.541 50 1 KKGF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCCC[C@@H]4CCSS4)ccc3n(C)c12 26277566 UUKKBMIXYQVPEY-OAQYLSRUSA-N 564.777 6.099 50 1 KKGF CCCC[C@H](C(=O)O)N1C(=O)[C@H](CC(=O)NNc2ccccc2)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 27762588 CXIQAHVMKNGONG-CKIYMEHHSA-N 589.758 6.896 50 1 KKGF N#CC1=C(/N=C/c2ccccc2)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@H]1c1ccc(Cl)cc1 72120079 YJEBUVPXQIQYPM-OEHLLJELSA-N 548.049 5.566 50 1 KKGF CCCCCC[C@@H]1[C@@H](CO)C[C@@H]2CC3=C4CCC[C@H](N=C(N)N)CSSCC[C@]2(C)[C@]31CC4=O 85549571 LYICIZMRFSTGRK-DVIWPMLJSA-N 507.810 5.465 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)Cc3ccc(F)cc3)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 169357745 KUMZNOBHAAQUNB-IDBKYCPNSA-N 759.034 8.555 50 1 KKGF CCN(CC)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 205484755 XZYCHOYOFXAVON-VFPBWNIXSA-N 577.733 6.034 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCC(=O)OCCOCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299866243 VNJVAYFQKVSVGJ-GRKOGERCSA-N 861.027 5.415 50 1 KKGF COc1ccc(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCC5)c(OC)cc34)c(F)c2)cc1 653699259 PRZFGAWUBOLGCU-XICOUIIWSA-N 587.652 6.204 50 1 KKGF CC(C)(C)c1nn(C(=O)CCCCl)c2c1[C@]1(c3ccccc3-2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963030974 GNMZJMNHXWGQIT-JQFVALKYSA-N 736.215 8.651 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(C)n1[C@@H]1CCS(=O)(=O)C1 963034251 YTHFUCGFJJTJJW-UVTCHBOXSA-N 629.182 5.095 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cc3ccccc3s1)N(C(=O)c1ccccc1N)CC2 963160095 WDNNMJLDHPBQPX-MHZLTWQESA-N 537.479 5.838 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857550410 MDIVDOIFNGJCPS-WXSRUXTDSA-N 568.827 6.201 50 1 KKGF COP(=O)(OCC[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)OCC[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911573844 OEOPTWVJFHQANI-JVGLILQOSA-N 700.803 7.055 50 1 KKGF COc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 1911582425 ILIGPOXWEAZNGI-XDJHFCHBSA-N 567.048 5.104 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356292750 XAAJSOHTYDHHLY-NBLRUBJOSA-N 929.307 9.029 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@@H]5CSSCO4)[C@@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 2356358671 UISOIPKWIWTDJH-WSWTZRHQSA-N 758.908 5.068 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356360868 QEZFPCQAONZDAC-PHFVWKOJSA-N 925.315 9.612 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)[C@H]2CCC(C)C 2356403326 GFKYDFOGJWKTRC-CGGGQOKKSA-N 839.222 9.148 50 1 KKGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@@H](Cl)CC2=C(Br)C[C@H](Br)[C@@]1(C)O2 2356409329 GDHGBLCXHRSFRM-BZKHKLSWSA-N 517.483 5.940 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@@]3(C)O[C@H]([C@@](C)(O)CC[C@@H](O)[C@]4(C)C[C@@H](O)[C@H](C(C)(C)O)C4)CC[C@@H]3O2)CC[C@@H]1Br 2356440301 VVPGMZKHHNSPAS-KSESPJBISA-N 619.678 5.023 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CC[C@@H]5CC[C@@H]6[C@H]7CC[C@@H](C)[C@@H](NC(=N)NC)CSSC[C@H]6[C@@H](N)C[C@@H]7C5)o4)ccc3O)[nH]c2CC[C@H]2CCC[C@H]12 2356634977 QTSPYUXZVBATAM-YBUJKXMLSA-N 992.451 7.560 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)C1CCCC1)C3 2356656863 MOALTLJMJPQLAL-PKHLHXEOSA-N 655.744 5.612 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356773929 MPASCQACILSQFD-ZUILVPIOSA-N 763.073 5.924 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1C1=CCN=C1 2356827231 HOMQWDNXEWTGLO-UAPMXPDJSA-N 830.014 5.927 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(CC5=CCNC(N)=C5)CC(=O)N(Cc5cc(c6c(c5O)O[C@@H]5CCC[C@@H]5CC6)C[C@H]1CC[C@H]3C2)C4 2356853780 RJBBKJUQRWXURG-TZENVVBOSA-N 959.377 8.866 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873556 VNIYDFGJWDKRPJ-ZEQRLZLVSA-N 661.796 6.774 50 1 KKGF CCOC(=O)C1=C(C[S@@](=O)c2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 43260784 QTSYGMXMKZFMFC-NBSZDIBVSA-N 573.681 5.869 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43910318 RJGALAVALLVPKP-MMLFVSDWSA-N 522.482 6.436 50 1 KKGF COc1cc2c(cc1O)CSSC[C@H]1CC[C@@]3(Cc4cc(O)cc(OC)c4-c4ccc5c(c43)O[C@H]2[C@H]5COC(C)=O)C1 85568427 ARAXGSRYJAGRMU-DMKXZIJJSA-N 606.762 7.051 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@@H]4O[C@@]2(C)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 103104667 RPVOJEKMAVTVFM-XSSYNUFNSA-N 550.689 5.216 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccccc4OC)C(=O)N3c3ccccc3)s2)cc1 103180415 AVVQJGCQYNVYFB-JLFGYZAPSA-N 599.694 5.543 50 1 KKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCSSCCNC(=O)c1cccnc1 145082815 LULKAFXANXZDRT-KUBAVDMBSA-N 567.865 7.787 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3cccc(C(F)(F)F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169313269 JDGXSPSNFFZDTR-DWNPJKEUSA-N 765.863 8.514 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@]3(O5)[C@@H](Br)[C@@H](Br)[C@]12C 263611969 XRRHDGKBIMJRKD-ASQOCBOISA-N 546.384 6.503 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)CC2=O 587456078 KHDUEYAIQIUGDT-AREMUKBSSA-N 528.830 6.241 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539521 WTSUGPWMRWFNBN-LEAFIULHSA-N 564.819 6.284 50 1 KKGF CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587616083 AYWYBYAGRGZLJY-DODOAAEWSA-N 602.152 7.713 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C2/NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 587697257 SHHYBCKBEYTEKL-JDYWSILNSA-N 572.265 6.263 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962628313 LUGQYLAQTXHQJU-MGTSJQRLSA-N 555.269 7.173 50 1 KKGF BrC[C@]1(c2cccc(I)c2)NCCc2cccc(-c3ccccc3)c21 962671279 UAXVXVRWRDZULC-JOCHJYFZSA-N 504.209 5.742 50 1 KKGF BrC[C@@]1(c2cccc(I)c2)NCCc2cccc(-c3ccccc3)c21 962671283 UAXVXVRWRDZULC-QFIPXVFZSA-N 504.209 5.742 50 1 KKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@]1(CCl)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963063028 HYECXPNOUKVHPC-GDCCIXDYSA-N 594.149 5.539 50 1 KKGF C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc([C@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)s1 963219738 UHPPFICRUVDPRU-PPDJRLQJSA-N 746.871 8.098 50 1 KKGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 963228743 IQAUFKRIFXXOAA-RNAHPLFWSA-N 570.443 5.305 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2ccc(CC(=O)OC)s2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939206 UQKZWXBKADEZHK-PVQNCLDBSA-N 692.325 5.083 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNC3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857773556 IROMHTYFTLXWQY-BVWLMLJNSA-N 960.120 6.955 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CCC5(CCCC5)C4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356293373 MNTLZGHSJZCNEY-RTHDANRDSA-N 843.033 5.566 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3[C@H]3CC[C@H]2CCCSS3)c1 2356370783 SZWMIKZYBRSUCU-LQYXZUMHSA-N 702.939 8.173 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@H]([C@@](O)(CCCCO)C1CCN(CCCOC)CC1)C4 2356415598 PQJDIFBGBBPNJP-CDYJEGGSSA-N 871.037 5.238 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](CCOC)([C@@H]2CCC[C@H](NC[C@H](C)O)C2)NCC2=C[C@H]1CCC2 2356430184 OYJOUISXEQLMRM-CZJLHQBVSA-N 998.400 6.248 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@H]2O)c1O 2356459804 ZQGRECLODSEVMW-RAINPOIZSA-N 768.991 7.760 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356628326 OYRBLQOMQZDVHI-IIVQKQRHSA-N 819.055 7.355 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSSC[C@@]3(NC(=N)NCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356662161 FAVWPUDGBCKLJQ-CFYWFNLGSA-N 797.009 5.782 50 1 KKGF CC(C)(O)[C@H](O)CC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@H]([C@]3(C)CC[C@]4(C)OC(C)(C)[C@H](Br)CC[C@]4(C)O3)O2)O1 2356799166 UBZUCFVOKWMNDV-BCWHQUOHSA-N 619.678 5.574 50 1 KKGF CCCCCC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29238139 SLNRSPDRIVWKCN-LMSSTIIKSA-N 669.602 6.069 50 1 KKGF CCCCCCCCCCCCCCCC(=O)NN[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 43100325 ZXUBAHAMYQKMQG-VTEORPDTSA-N 595.869 6.427 50 1 KKGF Cc1cc(OCc2c(-c3c(Cl)cn(C)c(=O)c3Cl)noc2[C@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622156 UFLPDNYUENCOAD-HNNXBMFYSA-N 600.886 7.391 50 1 KKGF NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](C/C=C\[C@H](O)[C@H](O)C3CCC(O)CC3)C2)[C@@H]1[C@@H](O)C(=O)O 85505436 HUNBBHIXGASXDJ-VMNXACQJSA-N 740.041 5.530 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSS[C@H](CCO)[C@@H]3CCC[C@H](C3)Oc3cc(ccc3O)C2)C1 85597224 VIOJPXDLVGWXPW-DMQOILKXSA-N 725.926 6.914 50 1 KKGF biogenic,in-vitro CCCC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@H](O)C2 85629580 HIUFHYXEYRRZPY-URJJYEEBSA-N 819.082 7.962 50 1 KKGF biogenic,in-vitro CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C 100090551 LCJOSIBQVUSWIH-IPGLRVRISA-N 534.693 7.064 50 1 KKGF in-vitro CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(OC)ccc2OC)C2=C1CCCC2 103951095 HUNJNXOHIGFVGU-QFIPXVFZSA-N 515.469 5.613 50 1 KKGF CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 149837876 BRHJRWOQJXUVRF-QEQIRTOISA-N 521.625 5.527 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(=O)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169290000 VMDPKVPTUTUSNH-YJFVDUNTSA-N 590.754 5.837 50 1 KKGF COC(=O)CCCCCCCC[C@H](I)CCCCCCOC(=O)CCCCCCCCC(=O)CCCCCCI 238764686 RKJFYZUCJCOBRK-PMERELPUSA-N 790.646 10.653 50 1 KKGF C[C@@H](/C=C/c1ccc(C(=O)CN2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C 253643321 ARRPEMLSARPYRE-KOTAILOTSA-N 640.963 7.136 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCCCCCN=C=S)CC[C@]4(C)[C@@H]3CC[C@]12C 253704856 QGWGVBRWMAFYLJ-QSBYBHPQSA-N 527.903 10.076 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2=O 587462717 RPBOGSPEHKHUFT-LJQANCHMSA-N 511.256 6.638 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O 587464404 PNLFJORGQZWYJO-IBGZPJMESA-N 511.256 6.638 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)([C@H](Br)C(=O)c2cccc(Br)c2)N1 587669592 FKDOOFDXDIWVLZ-DHTHFVMWSA-N 675.028 7.537 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3ccc(-c4sccc4Br)cc3)N12 962647953 VOIAOWRSAQGFBF-CLJLJLNGSA-N 586.349 6.463 50 1 KKGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@](CCCCCl)(c2ccc(I)cc2)N1 962959194 FCCDSGMJJJWLRM-UZLBHIALSA-N 540.175 5.474 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CCl)(c2c(-c3ccccc3Br)[nH]c3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045013 WXVUCKVPBOKXAP-GOOTYSBQSA-N 754.027 9.618 50 1 KKGF CC(=O)NCCc1cc([C@@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1F 963089647 GVGJNNBONIGKSU-QARUCVQPSA-N 647.190 7.290 50 1 KKGF COc1cc(OC)c([C@@]2(C)c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)cc1CCl 963160090 VWDFEZWJAKWBFT-MUUNZHRXSA-N 511.018 5.004 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)(c2cc(C)n(Cc3ccc(F)cc3)c2C)N1 963174332 RHTRDHLMRHWZFZ-PYLAIEKPSA-N 699.270 8.055 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1ccc(C(F)(F)F)c(I)c1 963200001 ZQULCLICSAUHIC-ZEQRLZLVSA-N 611.243 7.071 50 1 KKGF Cc1ccc(-n2nncc2CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1C 1772630664 JXZUIEYZJNCGAI-LHEWISCISA-N 626.680 6.053 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 1857546307 QPQPGYRSRSALDI-GSXHZGFFSA-N 533.591 7.671 50 1 KKGF CCCCCCCCCCCCCCCCO[C@@H](CO[C@@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)OC 1857750103 IZQJGVSAHONSJR-UAZRHDTBSA-N 762.901 6.671 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@H](CCN3)SSC1 2356307543 AXDPGYPQVYBPGV-MRDQGFSESA-N 512.697 5.986 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356351024 OERAZJJAKCZMRQ-NQRVTCLYSA-N 521.701 5.784 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356364666 WDWPJIMDFLUPHW-IJBJCBFESA-N 855.170 5.659 50 1 KKGF CNCCOc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@@H]1CCO 2356366693 OPOPURQPHRKYOI-DTERDCDSSA-N 639.792 5.610 50 1 KKGF CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@@]3(C)CC[C@@]2(C)CC1 2356528893 MSIVJNMEKJEZGC-JCESVIQDSA-N 580.894 9.916 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)CCC=C(C)CCCC(C)C 2356529555 JZWIUMRLWZVVKJ-LUIYHIRUSA-N 614.996 11.413 50 1 KKGF CO[C@@]1(C)[C@H]2Cc3cc(ccc3O)C(=O)O[C@@H](C(C)(C)Br)CC[C@@](C)(O)[C@@H](Br)CC[C@@]2(C)[C@H]2C[C@H]21 2356615282 CLIROQKLHXWUFL-XQEITRNESA-N 616.431 6.399 50 1 KKGF C=C(C)CCOC[C@@H]1O[C@H](n2cnc3c(N[Si](C)(C)C)ncnc32)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 2356653303 AOXPNTGIUBBQAS-UQWVPHONSA-N 551.913 5.394 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 2356666334 VXLWVYDSJNFOIL-ZNFAGRBUSA-N 861.099 6.789 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356702844 VWTHUPHZZBEJGK-NYMICELPSA-N 744.127 6.524 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@H](c2cccc(O)c2)SSC1 2356844025 NRTDFZWNXTXSHS-RUCOWFPSSA-N 606.810 6.537 50 1 KKGF Cc1c(CBr)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C 27849445 QNGGALWFQXIXAT-HGVFJNCKSA-N 729.617 5.907 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3/C(=N/NC(=S)NC4CCCCC4)C=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 44306197 FLYBRRPSRSVDCA-GHOBQEFISA-N 574.363 9.398 50 1 KKGF COC(=O)[C@@H](CSSC[C@H](NCCC(=O)c1cc2ccccc2s1)C(=O)OC)NCCC(=O)c1cc2ccccc2s1 72113995 QFXLDOAWEOAXGO-SZPZYZBQSA-N 644.862 5.606 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1cccs1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 102986250 OWSVDHWIBGVHED-ZZHPRMBTSA-N 511.459 6.641 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 103950288 ISFPQKIUMBFERY-SFHVURJKSA-N 540.813 5.579 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 150348693 NXFPZSHTFVSHMR-ORYVQHAYSA-N 933.339 9.518 50 1 KKGF biogenic,in-vitro CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1)OC(=O)N(CCCl)CCCl 253633954 PHMVJSWULBLUSV-IWIHVTJPSA-N 835.139 14.872 50 1 KKGF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586947305 VXLKOBQBCRHRIU-GFCCVEGCSA-N 562.380 6.107 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587077709 XIFWIPMHFOKITL-MRXNPFEDSA-N 516.761 7.973 50 1 KKGF C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321841 FMVBEAJBUOADDT-VGCYTWARSA-N 503.353 5.946 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@]21CC(=O)c2ccc(O)c(CCC)c2O1 587459666 OSEGCYUOICZAPN-PXJZQJOASA-N 513.516 7.818 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587677442 AIHFMAPJZILCOA-QQIMBVITSA-N 551.382 7.979 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962409862 XIMIEXMXZMEYOA-LDJRGBAMSA-N 689.164 7.093 50 1 KKGF ClC[C@]1(c2ncc(Cl)cc2Br)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640973 MSOMPOIGEPNKPI-GBXCKJPGSA-N 503.271 5.727 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963185510 RLMJDYSQBKMZAY-XWFZLUIHSA-N 547.799 5.579 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1cccc(I)c1F 963841137 IBGTUBSSAHFLID-VOIUYBSRSA-N 618.281 6.014 50 1 KKGF CC(=O)OC[C@@]1(C(=O)OCCBr)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)[C@@H]1O 1857645602 ODJBELKOIBGEFM-CTLBTLGISA-N 613.630 5.836 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCCCCOC(=O)[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857766831 QZWBETZZZMVDFC-FZKMSLBOSA-N 692.843 6.032 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356371184 WXPJVRFXKNFYLX-JBAVFEPYSA-N 806.993 5.158 50 1 KKGF CC(C)=CCCC(C)=CC[C@@]12C[C@H]3C[C@@H]4C(C)(C)OO[C@@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356439070 DCSFMYBSUBGTPD-KSPKUXJVSA-N 618.811 6.968 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@H]2C=CC[C@H]3O 2356554673 VINHIYDMZWIQQJ-QSTLVWLZSA-N 986.355 6.113 50 1 KKGF CN[C@@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 2356779170 NEEHQXFBTHMKGK-CVYDZTKKSA-N 633.832 7.893 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@](O)(C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356803345 WZRJTKGOXQHWCZ-HGAHGFDOSA-N 603.635 5.309 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SS[C@H]1NC2=C4C(=CCN2)[C@@]2(CCC[C@@H]2c2cccc1c24)C[C@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356815703 CUKNVLNBOHVUNE-IRMFDAEVSA-N 921.103 5.028 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(C)=C2OC)[C@H]5C)c1 2356828140 ITAOHCLHJOIXBJ-OCEXVKBYSA-N 786.157 10.356 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H](c2cccc(O)c2)SSC1 2356863632 VHHUEMMKDJEWCT-GOFQOALMSA-N 580.772 5.831 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356868063 WXZABYWWYMMZDW-JCCPFHIQSA-N 744.980 5.525 50 1 KKGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356871468 YBIDUQUOSTVSPA-MQLHYCCFSA-N 559.918 5.583 50 1 KKGF C=C[C@@]1(C)CCC=C(C[C@@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@@H]1C(=C)C=O 42835787 IIBMSRRBRIHDMP-GCUYSKAISA-N 527.573 6.849 50 1 KKGF COc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)cc1 103185673 NYWDKZXYLQRHES-BJKOFHAPSA-N 582.838 5.654 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4cn(Cc5ccccc5Cl)c5ccccc45)sc3c2)CC1 299861200 KWSCIQMPYKIOIM-ATZGPIRCSA-N 571.150 7.340 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054563 GGBHGMGSCLFBHB-OQLLNIDSSA-N 533.353 8.999 50 1 KKGF O=c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587058917 SKUORNCNFVNQFH-UHFFFAOYSA-N 575.184 8.167 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 587322527 NAPYHIBWMGLTAQ-KZQOYIJHSA-N 503.367 6.922 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](Br)[C@H](Br)c1ccccc1 587537481 GDKSXDTWGWAFLL-COHKGRJRSA-N 580.272 7.149 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 587674195 UKWUEJJASXPCDY-OZAJXLCCSA-N 515.220 5.854 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 587684464 WWIMYQSRGDUXQT-ZAMGYDSWSA-N 540.702 6.775 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2F)N1 587719150 PBEFNAQEIZVRHO-XYZCENFISA-N 510.014 5.663 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc3c(c1)CCO3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962667981 ANKZZDKIDWOFSL-MHZLTWQESA-N 576.409 5.995 50 1 KKGF COc1cc2c(cc1OC)[C@@](C)(c1cccc(NC(=O)CCl)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673855 FDSDYVPVMJKCNZ-HHHXNRCGSA-N 546.973 5.862 50 1 KKGF O=[N+]([O-])c1cccc([C@@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1Br 962953651 KCSBRXMIHJTCOE-HXUWFJFHSA-N 564.196 5.666 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962962820 VIWLJRRKTSYZQB-LMSSTIIKSA-N 593.111 5.689 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 963168375 CRPPPEZEVSYDEG-HCJVMEMPSA-N 720.067 7.914 50 1 KKGF COc1ccc(C2=C(C)Oc3cc(OCC(=O)NN)ccc3[C@@]23NCCc2c3[nH]c3ccc(OCc4ccccc4)cc23)cc1 963818141 RFMMHBKRBVSUKP-PSXMRANNSA-N 602.691 5.337 50 1 KKGF COc1cccc(/C(=N/NC(=O)[C@@H](NC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ccc(Cl)cc2)c2ccccc2)c1 1857636154 XUDGJDSUXFXYSD-MWPPPKGRSA-N 679.221 7.095 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 1857636733 DZVJSQDDINENEJ-QBSAXGHUSA-N 534.657 5.982 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNc3cc(ccn3)C2)CCCC1 2356301282 TYAJKXMJIPCFRG-PQPNNZLFSA-N 646.875 7.614 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@H](O)C1 2356354263 XFTCXYAYOKSOOZ-OJKGQHAISA-N 941.358 10.702 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)([C@@H]1CCC2(CCCC2)C1)CC[C@H]3O 2356363126 HSDBMVYWKNHXKE-QAVVXMSISA-N 887.302 10.432 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@H](OCNC1CCCCC1)CC(=O)CC2 2356584769 RLIQSQSUXRIOGJ-NSOVKSMOSA-N 625.853 7.120 50 1 KKGF CC1=CCCC(C=O)=CC[C@@H](OC(=O)c2cc3c(c4c2c(-n2oo2)cc2ccccc24)OCO3)C(C)=CCC1 2356625804 AGKPBMDODFIHPM-AREMUKBSSA-N 527.573 7.206 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356681854 IPKLNOAFVZYVHP-GBYKDINTSA-N 942.390 9.195 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)CNCC1CCCCC1 2356687960 HITXQSQGIPMBBA-GGEAQRLYSA-N 664.972 5.732 50 1 KKGF CN[C@H](O[C@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cc(O)cc(C2(NC)CCCC2)c1 2356742782 AVWJLROGHZXWHV-HFPSPQHWSA-N 746.992 7.852 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@H](NC[C@@H](C)O)C2)Cc2cccc(c2)C1 2356752520 VZWVMLMHTGQJCQ-SNEMVLJZSA-N 996.384 6.169 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356760081 VVKRBLWZXURLSK-NVVXXWGUSA-N 876.243 5.942 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CCCO)CCCC1 2356773159 SBPACOZDSMBCNV-ZLUKFQCZSA-N 704.955 7.928 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H]2NC[C@@H](c3cccc(c3)C1)[C@@H](C)N2 2356774084 QICZKHKPZDWUKQ-KEKWOLOMSA-N 726.015 5.035 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6cc(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@H]3O7)C4)N[C@H](N)C=C5)C1)C2 2356819463 FBTWBLUFDCMQDO-JIOKXFOKSA-N 976.274 10.093 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 2356830567 JJQOIXZVHDLFAQ-OJRJGQRWSA-N 885.121 6.088 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C[C@@]2(O)[C@H](O)[C@H](CO)O[C@@H](Oc3cccc4c3C(=O)[C@@]3(CSSCNC5=CC1=CCN5)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]3C4=O)[C@@H]2O 2356856514 SAGGIOTXEVVDRN-ZDQQDSGSSA-N 927.151 5.363 50 1 KKGF CC[C@@H]1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@@H]([C@H]3CNC(=O)C34CCCCC4)C1)O2 2356857933 SNZXPJGHMNLYRU-XRKLWWCNSA-N 936.068 5.043 50 1 KKGF C/C(=C\C[C@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 40375166 IQZRDEYKPNMTKJ-WVEPPDRTSA-N 501.151 8.588 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H](C2([n+]3cc[nH]c3)CCCC2)SSC1 85596445 UVNQZELTHVXBTO-GTCVQAEESA-O 647.887 7.043 50 1 KKGF biogenic,in-vitro CCCCCCCCNC(=O)/C(C#N)=C/c1cn(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc12 95593298 PQTHUCPKVQBITG-RCCKNPSSSA-N 500.599 5.392 50 1 KKGF C=C(C)[C@@H](CC[C@@]1(C)C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)=C(C)CC[C@H]1O)OO 96902419 JKSNJIROFMMOOT-XITQMTPZSA-N 508.740 5.944 50 1 KKGF C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@@H]3CCSS3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 96927610 HKAKAXHKANWDLP-AYMALCGGSA-N 520.757 6.033 50 1 KKGF N#Cc1c(-c2ccc(Cl)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933477 HOPJNTAXNFGXMX-LOSJGSFVSA-N 510.384 6.512 50 1 KKGF C[C@H](NC(=O)/C(C#N)=C/c1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1)c1ccccc1 150604045 VTNJFRYMBYCJAF-OMCMQERLSA-N 672.789 7.040 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@H](CO)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253689775 PIHGTXTYUJXWMZ-YJTNUUBISA-N 606.797 5.876 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 253861541 CLNSNWKRDSPCEI-NVVZTWFRSA-N 980.040 6.533 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4nc5ccc(O)c6c5c(c4C[C@@H]32)-c2ccccc2C6=O)C1 586987336 DDLTWPQHJZWGDX-VCQZKYMOSA-N 659.564 7.475 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 587335872 RTEAXYHFBRDLSE-IFMALSPDSA-N 524.155 6.082 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OCc3ccccc3)cc2)([C@@H](C)Br)N1 587671578 UPOQGMXSTNUANR-BFIDETRKSA-N 533.279 6.728 50 1 KKGF COc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] 587672493 GHTALJWMNVFLIP-ZRNGKTOUSA-N 536.623 5.640 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 587712692 QKFXIKIZYLFYGH-CQLKUDPESA-N 550.015 7.087 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3CC[C@H](c3ccc(F)cc3)c3ccco3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587945101 JHLSBEURBPIWJC-UNWHEKOCSA-N 567.654 6.735 50 1 KKGF CCCCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653700281 MYPBSZSVQARTIM-OAQYLSRUSA-N 568.914 6.231 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 653813198 TZYPADYHUSDBDE-VQWGYEAZSA-N 653.677 7.850 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]1(CCl)c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 961946237 BGHWZLPMMAHITM-PMJNZQNSSA-N 655.239 5.566 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1\C(=O)c2ccccc2[C@@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962959777 QKBWLPQPFIGMSD-IAULFNNHSA-N 547.577 5.005 50 1 KKGF Cc1c(F)cc([C@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1I 963007971 COKIGUWIQIPODB-WNCULLNHSA-N 681.727 6.664 50 1 KKGF C=CCS/C(NC)=C(\C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963133349 BHPGTIZEGUOXMU-GADBCIPBSA-N 708.888 7.053 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 963166042 CCJDEGCQWWFTKQ-PXAZEXFGSA-N 507.550 6.312 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(Cl)cc(S(F)(F)(F)(F)F)c2)N1 963181350 NBTFXKAJENMYCJ-SWLSCSKDSA-N 516.237 7.358 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(c1ccccc1)c1oc2ccccc2c1CBr 963188881 BFNWZKRIRXDBKC-NYDCQLBNSA-N 533.469 7.743 50 1 KKGF CCc1ccc([C@@]2([C@@H](C)Cl)c3ccccc3C[C@@H](C(=O)NC)N2C(=O)[C@H](CC(C)C)[C@H](CSc2cccs2)C(=O)NO)cc1 963937648 HEJFHUMZAGSSMQ-NJULHHDHSA-N 656.314 6.257 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@@H]1O3)C2 2356300546 MZHWXVPSWNGRSE-JKSCUZACSA-N 912.187 9.354 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@](C4)([C@@]36C)[C@@]12O 2356308762 WIDIQTFKYQESKU-UIIAEGGNSA-N 595.871 5.755 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(C(C)C)nc2N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 2356321361 JLVBMOCDSQCHLZ-LNMRATFYSA-N 704.871 6.233 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356349980 RQFGLQLPUJCMBP-KYQRTGHESA-N 545.859 6.223 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356360170 ZPSNZCJDFTUTGE-QACPDSNESA-N 640.960 5.069 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356372331 CBUCPQSZOMIHSV-LNVZUGKUSA-N 749.046 5.268 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]5O 2356388894 XBOSHEAQHSUFSF-OKHCUATFSA-N 870.184 5.535 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356530632 OZCVCBIHTFDSNM-KOQHIGAZSA-N 871.213 6.824 50 1 KKGF CC1=C[C@H](OC(=O)c2cccnc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@]2(C)[C@H](OC(=O)c2cccnc2)C[C@@]2(C)O[C@H]2CC1 2356713483 JZUGYIGNDSBHOY-VWFWJKTCSA-N 696.797 6.963 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)[C@H](C)CCSS5)c1O 2356722954 UVHFBXQSUIADPK-JCBGYUBHSA-N 795.029 7.934 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356776069 DBHDZCWYRBOHMR-QKSOCWJESA-N 937.316 8.014 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CC(=C(N)N[CH]2)[C@H](Cc2ccccc2)SSC1 2356812370 GYRUTCDAPSYMBY-NNZMHCESSA-N 603.830 6.864 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@H](Cc2ccccc2)SSC1 2356855039 QYQNXFWPLLNHTO-RNCXVCJZSA-N 578.800 5.996 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@@H](CCc4ccccc4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@@]56CCC[C@@]4(C[C@H](O)[C@@H]5C[C@H](O)CC6)[C@@H]3CC[C@H]21 2356869003 XGXXXSGPJOUVQJ-BVRKBHJMSA-N 756.175 9.510 50 1 KKGF CCCCCCCNC(=O)C1(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)CCCCCBr)CC1 38140355 XZSJTFZLORXRNR-RUZDIDTESA-N 597.038 6.874 50 3 KKGF O=C(Nc1ccccc1)c1c(SSc2[nH]c3ccccc3c2C(=O)Nc2ccccc2)[nH]c2ccccc12 27727861 QUFRAHTWCZTVHT-UHFFFAOYSA-N 534.666 7.953 50 1 KKGF CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 28635765 GTNWJJTZQLWLEN-ZFMUTVERSA-N 739.778 10.220 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3c([N+](=O)[O-])cccc43)cc2c1 49694715 CWJXZICDUNWYNT-MRXNPFEDSA-N 537.960 5.061 50 1 KKGF C[C@]12CCSSC[C@@]34N=C(N)NC[C@H]3[C@H](c3ccccc3)C=C[C@H]4CCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549331 VPPWXCZHVVPNEF-JLMWCUBFSA-N 621.913 5.477 50 1 KKGF biogenic,in-vitro COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)c1O 85567690 JHANTRWCLZMOHY-UJQGWHGZSA-N 740.937 7.124 50 1 KKGF biogenic,in-vitro CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H]([C@@]13CCC[C@@H]1C=Cc1c[nH]c[n+]13)c1cc2cnc1N 85596434 RIIDWCPJFUPTJO-HJSAWYSWSA-O 669.893 7.070 50 1 KKGF biogenic,in-vitro CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C[n+]2cc[nH]c2)SSC1 85596450 OMCCAQKPQYYOPY-VKGTZQKMSA-O 567.757 5.069 50 1 KKGF biogenic,in-vitro CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 95544694 LWTYDGJEOHWGQD-ROMCXMQBSA-N 822.944 6.202 50 1 KKGF COC(=O)[C@H](CCCNNC(=O)c1c(-c2ccc(OC)c(OC)c2)c2c3cc(OC)c(OC)cc3oc(=O)c2n1CCc1ccc(OC)c(OC)c1)NC(=O)OCc1ccccc1 150582052 KOSOWHMTEHSODT-HKBQPEDESA-N 866.921 6.192 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1[C@@H](CNC(=O)NC)O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@@H]1O[Si](CC)(CC)CC 195399957 MGUXLIWVZUSVQF-CTDWIVFPSA-N 670.964 6.078 50 1 KKGF CSCC[C@@H](CSSC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1)NC(=O)O[C@@H](C)OC(=O)C(C)C 197915076 BUQFRBSADJYDAV-RNJDCESWSA-N 650.885 5.479 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cccs2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253634870 VHUICZOJPGXDGF-QHJVXTCTSA-N 579.542 5.909 50 1 KKGF C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@H]2Cl)C(=O)N[C@H](CO)Cc1ccccc1 253837769 DBWPNUKBARPCAA-MXZUXFMRSA-N 564.126 5.101 50 1 KKGF CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 586925659 IVAHNMAQBCYKJI-UHFFFAOYSA-N 567.602 7.061 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(Br)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055724 MEZGHVOXAPYZIM-ZROIWOOFSA-N 504.190 7.243 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CN(Cc3ccccc3)c3ccccc3)nc2c1 587196924 ZVIVVNLBIVCCRY-UHFFFAOYSA-N 518.349 8.190 50 1 KKGF COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587260972 NFZQULITUFKDFS-UHFFFAOYSA-N 504.231 6.575 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323557 RTRQBJIPCAZWOA-FJIJXJHWSA-N 519.750 5.677 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587327424 GGKBJBLCHBUPKD-RBBKRZOGSA-N 545.710 6.733 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587538744 RLVOPXDCHCJLOZ-WNJJXGMVSA-N 608.282 6.889 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 587672346 FIKGWEKXETZNCG-YEJXKQKISA-N 520.281 5.360 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 587688684 NBFYVVBVNBZXIQ-ZLOXQWCVSA-N 506.803 5.921 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587854494 CATFPIVMLRGWJA-ZQHDKMAOSA-N 604.029 7.829 50 1 KKGF CCOc1cc(-n2c(O)ccc2O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(Cl)cc1C(=O)O 587939574 CVHYKCVHKQXHFH-PNNMNJTDSA-N 564.031 5.520 50 1 KKGF Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NC[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 621478562 ZDHWJZMMGGGTMM-DWQDUHRRSA-N 609.811 6.955 50 1 KKGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)/C=C/c1ccccc1)[C@@H](C)[C@H](OC(=O)/C=C/c1ccccc1)O[C@@H]4O3 653714283 SCADNGYYKMIZGG-GZEDNMIDSA-N 560.643 5.686 50 1 KKGF CN(C(=O)NC(=O)c1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 653880672 PVUCTYRHJRFOAU-AOJZPQQRSA-N 611.446 5.950 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc2)N1 962702668 SEPGHQRHBXPRIN-JQHSSLGASA-N 614.230 5.886 50 1 KKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963027338 SIGLMJYGUAJIAW-BEYSDYMESA-N 565.895 6.636 50 1 KKGF C[C@H](Cl)C[C@H](Cl)[C@]1(c2ccccc2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045235 YAXQRTKCQOCJDE-SYLOOTDJSA-N 636.522 8.094 50 1 KKGF COc1cccc([C@]2(CBr)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1F 963862549 BQEKMTHRZYJOQV-NSYGIPOTSA-N 522.411 5.418 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCl)c3ccc(Cl)cc3Cl)nc(Cl)nc21 963927515 AUNLJPCJZVYFCY-DEOSSOPVSA-N 537.278 6.618 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857546852 YDVGSOPJRRSHHS-QGZVFWFLSA-N 538.438 5.398 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1[nH]c(=NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)nc2sccc12 1857563253 RWROPTWOQWQWBT-ONEGZZNKSA-N 538.677 5.235 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(N)c1C(=O)NNC(=S)Nc1ccccc1 1857571322 DSYOGTGEQPROQK-NWYPYMFGSA-N 564.821 6.369 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@H]4[C@@H]2O)O3)c1O 2356359537 MYXJGAGPAMHZKR-WDEWXNSMSA-N 781.002 7.831 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@H]2NC(=N)NCCc1cccc2cocc12 2356366338 GCJUCKPRWHEEKS-YAQLNATFSA-N 847.249 8.348 50 1 KKGF C[C@H]1CSS[C@H]2C=C[C@@]34C[C@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)[C@H]3C[C@@]1(CCC2(CCCC2)C1)C[C@@]41C=CC[C@@H](C)C1 2356667185 KRYDUCHZFSFIFY-CXZNJLLCSA-N 694.107 11.463 50 1 KKGF O=CC(=Cc1cc2cc3c4c(c2o1)CCCN4CCC3)CCC=CC1=C[C@@H]2C=C3CCCN4CCCC(=C34)[C@H]2O1 2356706941 BQIBBZYDPMFYTP-JKFCTSDTSA-N 534.700 7.033 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSSCNC6=CC(=CCN6)CC3=C4C(=O)O5)[C@H]21 2356805610 ADFHSANPPJGULX-URUKZETESA-N 578.800 6.427 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCOC(=O)NCCCc4ccc(N(CCCl)CCCl)cc4)[C@H]3[C@@H]1CC[C@@H]2O 27212754 VOAZTZLRIJHXNO-OTFOEYGASA-N 673.766 8.429 50 1 KKGF S=C(SSC(=S)N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1 36455376 NCSFPGDOQVCXKB-UHFFFAOYSA-N 512.920 8.872 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCCCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O 43063287 BATRMUVBCNROFZ-LJQANCHMSA-N 520.717 5.399 50 1 KKGF Cl[C@H](Cn1ncc2c(NCc3ccc(Br)cc3)ncnc21)c1ccc(Br)cc1 96272496 FRNGTWDSALHYQF-GOSISDBHSA-N 521.644 5.944 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC=C(C)[C@H]2Cc2cc(ccc2O)C(=O)O1 138609594 YGMMQPFJIJSNBX-LXZFFOPQSA-N 584.389 6.861 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 169294834 UYGBRTWATZPXSL-CLGRKCCKSA-N 868.037 6.382 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169314240 ZCKGTTFZVUSPNW-KUWLDPRYSA-N 697.866 7.495 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299843335 CLNSNWKRDSPCEI-FXAGITHMSA-N 980.040 6.533 50 1 KKGF O=C(CCCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326553 LWWBHGMYOHHFBM-DGPALRBDSA-N 515.968 6.401 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 587326795 NCALSOZYMCXHGR-PPTMTGTBSA-N 542.006 6.618 50 1 KKGF COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F 587557282 RHNRMUVIGAZXLN-AUSIDOKSSA-N 507.283 5.254 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587671579 UPOQGMXSTNUANR-LEHBWIKQSA-N 533.279 6.728 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 587672056 CTMAHIADQPKNNU-BJIHHTGESA-N 583.424 7.095 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1OC 587686549 CZCJKSPIWYLAMS-OQRWROFFSA-N 549.912 6.283 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 587730324 FHDQUDCILAQJCC-HWRSSNJWSA-N 501.802 6.892 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 587737981 IWPKBQIVSZNIHL-SHACYNPGSA-N 613.696 6.441 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O 587939883 KIZRSQPOKILPAP-KHHHOAIKSA-N 813.386 5.001 50 1 KKGF CC(=O)NCc1ccc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962401857 IXOYBCKSZPOKDE-FJQKOURKSA-N 596.083 5.461 50 1 KKGF COc1ccc([C@@H]2N(C(=O)CCl)N[C@@H](c3c[nH]c4ccccc34)[C@]23c2ccncc2C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962405453 QFTLMIRQIXGIBF-GYGIXXTISA-N 754.243 7.095 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@]2(CCC[C@@H]2Br)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962715256 RAXYVYHWERROFA-HPSLPFNASA-N 624.526 5.946 50 1 KKGF CC(=O)Oc1ccc(C[C@@]2(CCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963013268 QSHLBPPVUCYCIW-VAVYLYDRSA-N 551.426 5.575 50 1 KKGF Cc1cc([C@@]2([C@H](C)Cl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C)n1-c1ccccc1 963584005 RXVXWUKQHITVJT-OHWKKVTOSA-N 631.098 7.636 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)Cc6cc7cc(Cl)ccc7nc6C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NNC(=O)c2cccnc2)CC[C@H]1C 1772655013 XKKRXOOOWDTEAK-DMUBUSQISA-N 693.376 9.416 50 1 KKGF C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 1857626856 UVECCUOFVSIRQV-YHVFZNLCSA-N 746.942 6.670 50 1 KKGF COc1cc(NC(=O)NCCCl)c2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 1857749788 VZZWTVLRXGRMLB-ACHIHNKUSA-N 743.301 7.523 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(C4(NC)CCCC4)c3)C=C[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356291949 IDLZKYJYKRPZQL-BKYJGSPWSA-N 998.321 10.020 50 1 KKGF CNC1(c2cc(O)cc([C@H](Cc3ccc(O)c4c3CSSC[C@](C)(O)CNCO4)C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCC1 2356299597 FKUKPHUITRXNCN-FKSSVSSJSA-N 946.245 9.193 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCc4ccccc4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356350105 UYIPQQHFQLTYCY-LGWBAKBLSA-N 986.443 9.164 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@H](O)SSCNc2cc(ccn2)[C@H]1CN1C(=O)C=CC1=O 2356449250 GSHYKBCSZRREPP-NNGZVCFDSA-N 701.867 5.910 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356497549 QZDGXZBZNDHRCY-QRTDIJRPSA-N 920.296 5.911 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356530631 OZCVCBIHTFDSNM-CNBOSDMTSA-N 871.213 6.824 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)C[C@]3(C)O[C@@H]3CC[C@]2(C)[C@H](Br)CC1 2356654816 LCHQEOJZPPZCSD-QYGAUKOWSA-N 570.362 6.855 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356759595 CZJIEDQMUAGKDR-MROZYHTESA-N 800.138 5.561 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@H](O)SSCNC2=CC(=CCN2)C1 2356814147 BYFFVJJMDDCQHC-CSSKRLGRSA-N 594.799 5.745 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]45C[C@H](c6ccccc6)C[C@@H](C=C[C@@H]4CCC[C@H]3O)[C@@H]5CO)C=C12 2356818782 DWESZVYYLPEPAH-VMTKTZKVSA-N 974.343 7.893 50 1 KKGF CCC1=CC2=C(C#CCc3cc(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OCO)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@@H]2O4)C3)N[C@@H]1N 2356857543 SKAKVJADZDQLKC-OYGYDJCPSA-N 930.202 8.582 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@@H](O)[C@@H](CCC1)CC21CCCC1 2356868474 XCGFYWHPMJAVIS-HKUWWYBUSA-N 830.170 6.943 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](OO)[C@H]2O[C@]24[C@@H]2[C@@H](C)[C@H](C)CC[C@]2(C)CC[C@]43C)C1(C)C 136558185 MTHXIZRKFSBBNW-PHPDFNEXSA-N 516.763 7.275 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC[C@]13C 255221890 JVALCPRTFRUDPB-NUEILMSCSA-N 891.375 14.222 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)c1cc3c4c(c(O)ccc4n1)C(=O)c1ccccc1-3)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 586992346 VNYMKEOSFULWCS-XXGSMZMLSA-N 970.166 7.829 50 1 KKGF CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587325112 CDMFWSGVLFLBKA-GMCHKSTQSA-N 526.007 7.666 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)CC2=O 587465178 BRVRTOMBDMLIIR-AREMUKBSSA-N 502.369 6.224 50 1 KKGF O=C1C[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587499719 ONCMDPDWRYABMC-NDEPHWFRSA-N 516.391 5.622 50 1 KKGF O=C1C[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)Oc2c1ccc1c2CCCC1 587531018 IFUUTMMLMLUKKX-XMMPIXPASA-N 532.297 7.312 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 587537074 AGDUGOUVRNWLAA-URXFXBBRSA-N 547.188 6.606 50 1 KKGF O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541947 DUWSSDBSAKKUHI-NAKRPHOHSA-N 565.365 6.037 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2F)N1 587719145 PBEFNAQEIZVRHO-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Br)c2F)N1 587724057 DMVFFICLOHNXGY-XYZCENFISA-N 510.014 5.663 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)cc(CBr)c1 587874897 JNICAZVZNPSDAR-UHFFFAOYSA-N 504.049 5.556 50 1 KKGF Cc1cc([C@@]2(CCCCCCCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)ccc1F 963140124 JCBZDJUKDVXGSW-NLFFAJNJSA-N 511.059 6.270 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CCCCCCCl)(c2cccc(I)c2)N1 963226305 LJBFRTXSOASFNQ-UKILVPOCSA-N 548.852 5.871 50 1 KKGF COc1ccc2c(c1OC)[C@]1(c3ccccc3CC[C@H]1Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775027 HRRMTVLNRKUXNP-FYBSXPHGSA-N 559.460 5.406 50 1 KKGF Cc1cccc2c1[C@@](CBr)(c1ccc(I)c(Br)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905048 UPBGFRJAKUDMQK-MZNJEOGPSA-N 679.187 6.637 50 1 KKGF CCCCC1(CCCC)C[C@@H](COCc2cn(CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nn2)[C@@](C)(OC)OO1 1857619019 INCCUFSBBDEYND-BAOFOTJISA-N 658.844 7.629 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@H](CCN3)SSC1 2356307546 AXDPGYPQVYBPGV-WGDIFIGCSA-N 512.697 5.986 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356350537 DZQOMQKIJAGGDJ-AEGHYNGXSA-N 835.190 8.582 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@@H](CO)CC3)CC(=O)CC2 2356352597 XCORWOQIWRVUOY-BTNRUUMXSA-N 971.292 8.982 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356379395 SEZXGHKDTFKCAQ-JOVVLABXSA-N 898.290 6.135 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356417232 VPZOAEMEYPVBPY-PYTDQVBASA-N 923.289 7.220 50 1 KKGF COC[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@@H]3C1)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@@H](O)CC5 2356505216 WIKGKVNANXJSFR-SRQIJMJGSA-N 929.259 6.516 50 1 KKGF CO[C@H]1C[C@@](C)([C@@H](C)[C@H]2O[C@@H]([C@H](C)C(=O)OO)C[C@@H](O)[C@@]2(C)O[C@H]2CC[C@@H](OC)[C@@H](C)O2)O[C@@]2(CC[C@](C)([C@@H]3CC[C@](C)([C@@H]4CC[C@H]([C@@H]5O[C@](C)(O)[C@H](C)[C@H](OC)[C@@H]5C)O4)O3)O2)[C@H]1C 2356545340 IQVROGAJHRXENX-KJTHVHKISA-N 915.168 6.084 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2C[C@H]3CC[C@@H]4CCC[C@@]4(C2)C3)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356577890 VYRWBBKFTONUEP-MFTLZRCASA-N 864.276 7.439 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356597761 UBQWRSUQFVDQJA-HSXCODQASA-N 531.832 5.833 50 1 KKGF COc1cc(O)c(C=C[C@@H](C[C@@H](CCc2ccc(O)cc2)OO)c2ccc(O)cc2)c(O)c1C(=O)C=Cc1ccc(O)cc1 2356693304 FQCSWJOXGNZGMF-ABYGYWHVSA-N 598.648 6.797 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCC6(O)CCCCC6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356779608 BVVWXPAYTNCMMK-GHIIJLKOSA-N 970.345 8.230 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356809230 AORGBOLWBKFWKP-MFANUECESA-N 825.155 6.135 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC1(CCCCC1)[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(=O)C[C@H](OC)[C@]6(O)[C@@]4(C)[C@]53C)C[C@H]1C2 2356855691 RSJBKCBUDBGVHD-SLVXDLIFSA-N 668.022 7.855 50 1 KKGF CCC1=CC2=C(C#CCc3cc(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OCO)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@H]2O4)C3)N[C@H]1N 2356857542 SKAKVJADZDQLKC-KYXZENMOSA-N 930.202 8.582 50 1 KKGF CCCCc1ccc(SCC2=NC(C)=C(C#N)[C@@H](c3ccccc3C(F)(F)F)/C2=C(\O)OCC)c(C)c1 40447709 YTOQDJIATCCPKZ-FMIZDUHGSA-N 528.640 8.291 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5[C@H]6CC[C@](CO)(C[C@H]61)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 85549375 FFBFKAQLRMGQCQ-XKXGGPCSSA-N 601.923 5.765 50 1 KKGF biogenic,in-vitro CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)C(=O)N(C)OC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 95551479 QPXOZGQIANIWMT-AJJONFOISA-N 808.029 12.440 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(C)c1)C(=O)Nc1ccc(C)cc1-2 101408133 CLOLZLBWGJBDCC-RSKBYLLGSA-N 521.281 7.178 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169361724 SBWFAIGFKMBQFX-VTOKSZJASA-N 798.421 5.306 50 1 KKGF O=C(CBr)Nc1cccc(Cn2c3c(c4ccccc42)C[C@@]2(O)[C@@H]4Cc5ccc(O)c6c5[C@]2(CCN4CC2CC2)[C@H]3O6)c1 169367213 HDUSMYFDADSZOJ-TVXNHBSRSA-N 640.578 5.428 50 1 KKGF CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)ON[C@@H](C(=O)OC)c2ccccc2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716322 IDQIOCPNARXHDX-NARWHRASSA-N 593.717 5.464 50 1 KKGF O=C(NCCCCl)Oc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 473137256 XLCAORKDWIJLCU-UHFFFAOYSA-N 515.791 5.650 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(C)(C)C)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189273 ASPOGRWATCJUKM-YGTLLUSESA-N 617.875 7.892 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 587673626 OURBMFZTNYWYLX-SHACYNPGSA-N 501.237 6.332 50 1 KKGF CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587686748 XCXNSYZFDPGXAD-TYBIWIPESA-N 681.039 6.679 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@H](O)CBr)cc2)cc1 587877144 WEWCDUUBZIMMJZ-XMMPIXPASA-N 517.250 5.799 50 1 KKGF CN(C(=O)NC(=O)c1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 653884787 YPRKBFSXWBWWTE-ILPJYELKSA-N 679.443 6.968 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)NCCc1c(C)ccnc15 963070032 DZLBXWXLHUGXJD-HIIRBTLFSA-N 597.171 5.877 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1cc(Cl)c(F)c(Cl)c1 963150763 SGHYEYKMYLHNSL-DJJJIMSYSA-N 540.238 5.474 50 1 KKGF CC[C@H](Br)[C@@]1(c2ccccc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963182806 CXWOCOOUBXHUPH-MHMRIHGRSA-N 586.482 6.957 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(S(=O)(=O)C(C)C)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963727476 DGSWDXOHVDRTIP-HKBQPEDESA-N 639.568 5.273 50 1 KKGF S=C(SSC(=S)N1CCO[C@@H](COc2cccc3ccccc23)C1)N1CCO[C@@H](COc2cccc3ccccc23)C1 1772607630 ZKJMGWRPIJJXKS-CLJLJLNGSA-N 636.886 6.804 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(N)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=C2[S@](=O)c2ccc(C)cc2)cc1 1857640395 GZLPRKAETMRHFU-QFGCMMRWSA-N 562.535 7.325 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(C)O)CCC=C(C)C 2356350229 XRKSHLBMQQSJSI-NTUMTVFPSA-N 554.768 5.009 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356359313 HXMYCSKLWXBQRV-NCTKWDPBSA-N 783.154 7.457 50 1 KKGF CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)C=C[C@@H](CC)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356429905 AINFSGWMKHWUJL-HEMVOJJJSA-N 695.126 13.286 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356512190 ORVWKESSDHBOAX-PNINOOSSSA-N 885.240 6.519 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356745408 XDSXTKQXTGZPCP-NRLPLUEYSA-N 741.026 5.417 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356765782 OKJNXNRPQNRJBB-NHZVJSLQSA-N 737.163 12.976 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356806644 AHGQQBHWWWDJIH-ACMKRMIQSA-N 784.013 6.457 50 1 KKGF CCCC1=C(C=O)c2cc3[nH]c(c(C)c4nc(c5c6[nH]c(cc1n2)c(CC)c6C(=O)C5)[C@H](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)[C@@H]4C)c(C)c3[C@@H](C)O 2356864550 VWEOHHNEPODWTK-FFPQSLRISA-N 813.096 11.826 50 1 KKGF O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@@H](Cl)c2ccccc2)cc1[C@H](Cl)[C@@H](Cl)c1ccccc1 1624790 BCPUHZDSXYHLJT-MYGLTJDJSA-N 514.192 8.023 50 1 KKGF O=C(Nc1ccccc1)Nc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)c1 27631682 SRLWDHBJTGQOLR-MUUNZHRXSA-N 703.977 6.844 50 1 KKGF C=CC/C(=C\CO[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)CC/C=C(\C)CCC=C(C)C 28656247 ZLRMXSICFWQDNL-LZGZUDENSA-N 557.068 8.755 50 1 KKGF O=C(SC[C@H](CN1CCCCC1)SS[C@H](CSC(=O)N1CCCC1)CN1CCCCC1)N1CCCC1 28872929 ICIOQIUUWDVZOY-ZEQRLZLVSA-N 574.948 5.975 50 1 KKGF CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F 49766493 MBSYUQKUECOKLY-SECBINFHSA-N 547.283 5.524 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O 85511096 XHEUFMOIEYKEEI-FHZYGRGZSA-N 803.005 6.186 50 1 KKGF biogenic,in-vitro C[C@H]1CC=C[C@](C)([C@H]2C[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@H](SSC4)[C@@H](C2)C3)C1 85543509 IUVWLTGWZVUROF-MHHWDUJQSA-N 561.901 8.956 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](/C(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)=N\O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95580696 CCTAGBCFEQKECS-KDEPXPLXSA-N 591.742 5.708 50 1 KKGF C[C@H]1N[C@@H](CCCCCCCCCCC/C=C(/C=O)CCCCCCCCCC[C@H]2CC[C@@H](O)[C@@H](C)N2)CC[C@H]1O 95918584 VQQFMYFBGVBDNZ-VNAONUOBSA-N 576.951 8.307 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@H](CSCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253648196 WQOWZDQPDRPHPB-SCCGQLNNSA-N 668.871 5.620 50 1 KKGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)[C@H]1CC=C[C@@H]21 587276340 KTBDGGDZIVUPEY-VBHSOAQHSA-N 551.335 8.026 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 587555295 KKNJKLUJJSRYHM-CUBQBAPOSA-N 525.935 6.497 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sc(=NS(=O)(=O)c2ccccc2)n(CCCCl)c1Cl 587607532 MYMISAULOINGNJ-NZQKXSOJSA-N 591.494 5.530 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 587673118 KLFIFEUDIRZERS-VVSNBQAOSA-N 579.392 7.223 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(F)(F)F)cc1 587712869 LZPFSQIKEVAGSM-JCQPUDPBSA-N 529.803 7.031 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 587750804 JPFCXRMKEDLOEP-PXEAIGFSSA-N 538.417 7.139 50 1 KKGF CC1CC2CC(C)CC(C1)C21OO[C@](CCC(=O)NCCCN2CCCC2=O)([C@H](F)COC(=O)Nc2cc(Cl)ccc2Cl)O1 621429248 PVVYIEOOENQSPZ-GDYMHWGSSA-N 658.595 6.252 50 1 KKGF Cc1cc([C@@]2([C@H](C)Cl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)cc1 962961894 XDKFVAQAUPQJSQ-PPHZAIPVSA-N 537.453 7.289 50 1 KKGF CC1(C)CCC[C@H](Cl)[C@]12c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963087454 AGBAZBKPBYAAOP-PFDXXMEMSA-N 550.142 8.003 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(c1cccs1)C(Br)Br 963200277 DEVVYSZJFHIJBA-DENIHFKCSA-N 502.275 6.231 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(Cl)c(Cl)c2)([C@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 963225240 CXCWNGIHCCCIBR-VXQMPNGUSA-N 594.709 7.181 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCCCl)(c2ccc(C(C)(C)C(=O)OC)cc2)N1C(C)=O 963328161 CVCZNZKPOBFCAX-FRHGLMEDSA-N 836.360 6.203 50 1 KKGF O=C(NCc1ccc(C(F)(F)F)cc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccc(C(F)(F)F)cc5)cnc34)cccc2c1 1772637215 FPVOUNLVCWCJTP-UHFFFAOYSA-N 722.736 9.480 50 1 KKGF Cc1cc(C)c(/C=C(\C(=O)Nc2ccc(N(CCCl)CCCl)cc2)c2ccccc2[N+](=O)[O-])[nH]1 1857570398 TUKGBRSNOANYNA-JWGURIENSA-N 501.414 6.003 50 1 KKGF CC(=O)c1cc(OCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c(C(=O)O)[nH]c23)ccc1B(O)O 1857635471 CMIVVWPEKAPWSX-UHFFFAOYSA-N 631.494 5.201 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1C(C#N)=C(N)N(Nc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1911578662 XXYLXCKWVQDMJT-SSEXGKCCSA-N 642.657 7.894 50 1 KKGF C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356292148 MGODVHWOIFEIAW-QANOVWMJSA-N 934.281 11.455 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)CC[C@]5(O)C[C@@H](NC(=N)N)CSSC3)O1 2356295280 YPWKKJCRGDZUJG-CUWCWXILSA-N 682.865 5.240 50 1 KKGF CC(C)(O)C=CC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)O1 2356328902 LNPHICKKKGHENP-YLJQBEQNSA-N 587.636 5.989 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@H](CCO)[C@@H]2CC[C@@H]3[C@H](CC)N(CCCOC)CC[C@@H]3[C@@]21O)C4 2356353830 CVJATYXTCFKNNM-CYAAGGJUSA-N 979.177 5.647 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356355463 FUJBODJNDWCRCY-LAZJWOSSSA-N 639.968 7.775 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@H](C2CCCC2)Cc2cccc(c2)C1 2356367944 GQYRGOQYDXHIHE-XJBYUKTFSA-N 753.081 6.735 50 1 KKGF C[C@H](O)CCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356371717 OOKVELPPMMNHTL-NJJUGFGDSA-N 890.181 8.317 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@@H]2NC(=N)NC 2356373312 XRHXBDQIJMPJQH-NAOSGSBYSA-N 717.103 5.989 50 1 KKGF CC=C1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccc([C@@H]2C[C@H]3C(=CC)CN(C)[C@@H](Cc5c2[nH]c2ccccc52)[C@H]3C(=O)OC)cc14 2356592684 GVJFCBIQWCVYNY-DIZQGMJFSA-N 628.817 6.082 50 1 KKGF C[C@H](O)CCC[C@@H]1[C@H]2CC[C@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356601499 XIQSIXDMTJCWDO-QMLWTLALSA-N 916.219 8.708 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@H](C)N[C@H](O)C2=C[C@H]1CCC2 2356721337 AYRRJTYHHGZBLF-XCDQKLEASA-N 741.026 5.273 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)CC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356730589 UKWGOBGGUGJZAH-OEVDNWHKSA-N 551.719 10.118 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CC[C@]7(CCCC78CCCC8)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(C)=C2OC)[C@@H]4C)c1 2356848062 PCDTXIOXHLDHQH-MMRYKZJESA-N 802.200 10.941 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](O)C3CCCCC3)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356873125 ZDDAWBJEPQPIGV-WHCIGTMISA-N 977.347 9.556 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@H](O)C2CCCCC2)C1 2356875075 ZZABLJOOFAZANW-GIYKHRQYSA-N 945.346 6.844 50 1 KKGF Cc1ccc2c(COc3ccc([C@H]4[C@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)cc(=O)oc2c1 49709735 BXXNRHGQAUNVRE-DQEYMECFSA-N 524.798 6.138 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(NCCCNCc3ccc(CO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)c2c1 49898141 JSXNXWKTHQHHDO-PZKRZDQXSA-N 702.292 8.366 50 1 KKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C/c1cn(Cc2ccccc2)c2ccccc12 84619108 UBVSJPYQWSTXIQ-HNSNBQBZSA-N 529.669 6.482 50 1 KKGF CC1=C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 84619474 ZABHYRQFAJBKLS-UHFFFAOYSA-N 573.737 8.887 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)OCCCBr)CC[C@]3(C)CC[C@]21C 84633997 XBHZVNBWFYZXIP-IREBYWSLSA-N 591.671 7.656 50 1 KKGF CNC(=N)N[C@]12CCC[C@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@@H](CC[C@H]3[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]31)SSC2 85597163 ZZIQLVGNNFRAHC-HGJYVQCUSA-N 778.994 6.418 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)[C@@H](NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C 95583935 BOFFTJUIUIRUNT-JGCGQSQUSA-N 568.699 7.769 50 1 KKGF Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@]3(c3cccc(S(F)(F)(F)(F)F)c3)C2)n1C 101355898 WHOZDXFLKLSAJU-IIBYNOLFSA-N 521.581 6.192 50 1 KKGF CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2cc(Cl)ccc2Cl)=C1C#N 103950763 ZSUSFVZZCXJNJV-FQEVSTJZSA-N 538.315 6.056 50 1 KKGF O=C(CCl)Nc1nc(Cc2nnc(SCSc3nnc(Cc4csc(NC(=O)CCl)n4)n3NC(=O)c3ccc(Cl)cc3)n2NC(=O)c2ccc(Cl)cc2)cs1 150522775 BSLQOWQMMZAVQV-UHFFFAOYSA-N 898.693 6.235 50 1 KKGF CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C4=CC(=O)/C(=C(\C)C=O)C[C@@]43C)CC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716325 WHZPDEFEIXIUMA-IOQQUSSCSA-N 911.190 8.688 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 195186677 LTLNAIFGVAUBEJ-MMPHLVHPSA-N 826.475 6.085 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCCCCCCCBr)c1=O 195764429 JFUADHHGAVLWBL-IYZGCQLGSA-N 794.999 6.653 50 1 KKGF CC(=O)O[C@H]1/C=C/C[C@@H](/C(C)=C/C=C/CC[C@H]2O[C@@H]2C[C@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)CCCC[C@@]1(C)O 221600622 LBPLCAWAEGPYRI-NVIPRZMLSA-N 578.863 6.952 50 1 KKGF CCCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928845 KDEBQRHOJZQXGT-BFRACDOUSA-N 737.460 8.859 50 1 KKGF N#Cc1ccc(C(F)(F)F)cc1N=NN(C(=O)Nc1ccccc1)c1cc(C(F)(F)F)ccc1C#N 253636891 CXKRKFHHQMEKQL-UHFFFAOYSA-N 502.378 7.205 50 1 KKGF CC[C@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586938940 LVKKCKKNNFRHDC-JTQLQIEISA-N 534.370 6.727 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(CCO)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189254 AJAKITFAAVNHTD-RNUAOJHQSA-N 605.820 6.130 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587843191 HNNOGTJGUALAJU-JBEBIEQOSA-N 507.900 6.734 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@H](Br)C(=O)c2ccc(Br)cc2)cc1 587874963 LNYAPBMLQDWBBA-DEOSSOPVSA-N 622.140 6.295 50 1 KKGF COc1cc(/C=C/C=N/NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)cc3)c2C)ccc1O 653745051 WXKNRXLHLVTUDP-MIIRYLQISA-N 555.849 6.951 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1-c1ccc(Br)cc1 962759166 BJBVSQLISPTSFJ-FYYLOGMGSA-N 525.796 5.985 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)NCCc2cnc3c(OC)cccc3c21 963045464 GAXIRXHKZBNSGN-PMERELPUSA-N 548.108 5.807 50 1 KKGF COC(=O)c1ccc([C@@]2(C(Br)Br)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)s1 963085783 HIECJHZANRFKBW-RHBXAEEVSA-N 731.506 8.198 50 1 KKGF COc1ccc(Cl)c2c1CCN[C@@]2(CCCCCCCl)c1ccccc1I 963256826 FYIAKRCKLSHRAJ-QFIPXVFZSA-N 518.266 6.532 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2ccc(C)c(C)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963362769 ACMMMTPAWLFYBI-HJIQQCSTSA-N 626.547 6.996 50 1 KKGF CC(C)SC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857742281 DUPITUAPAJZGHS-LVMJEYPOSA-N 547.802 6.219 50 1 KKGF COc1ccccc1-c1cc(-c2ccccc2)c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2n1 1857755389 FKAHASBLMYMLIX-UHFFFAOYSA-N 511.561 7.217 50 1 KKGF CCOC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc([N+](=O)[O-])cc1 1911576198 AZULFSXXBPFIDY-ZAKVZREOSA-N 519.591 5.204 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@@H]1CSS[C@@H]3CO 2356292153 MNFWHTHZMLKFKD-VZCZRWRPSA-N 987.294 9.425 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](c2cccc(O)c2)(CCN3)SSC1 2356321295 DXBPTWWYRMKIGV-AUSOSSAASA-N 604.794 6.894 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@@H]2O)O3)c1O 2356359535 MYXJGAGPAMHZKR-OOEGXMLWSA-N 781.002 7.831 50 1 KKGF C=C(C=CC=C(COC(C)=O)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 2356514883 PCXCPWDHJKSSOL-ILNWVHSXSA-N 528.730 5.541 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CCC[C@H]2[C@@H]1CCN(CCCOC)[C@@H]2CC)C4 2356639249 IZOGQQHQDRWBRN-SFPXCLQKSA-N 897.075 5.483 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C 2356737771 CNPTXJXEBUDWNW-AYIUALPPSA-N 599.897 6.509 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356764535 OQSUSEXJEFWYDB-XGHGTZLDSA-N 965.292 9.008 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356776039 CRDHWQJVDBBPCX-JKTIANQBSA-N 625.941 7.167 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3C1CCC4CC1 2356824476 GVCAKQZHXXNKJC-OLORORFUSA-N 847.032 6.949 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCCC8)C[C@@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@H](O)c2ccc1c3c24 2356829953 JCKAAFJAMXOJJG-PFKDLDQCSA-N 953.240 7.649 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)OCC(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@H]2C2=CCN=C2)c2ccccc21 2356845274 ODBZYCHOAWDVGN-OUTPKWKASA-N 897.105 5.998 50 1 KKGF O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NCCc2ccccc2)[nH]c2ccccc12)NCCc1ccccc1 27653764 MPGQFAMKTLPOPX-UHFFFAOYSA-N 646.882 8.032 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 49863684 WCGDYOPDDDUSJM-LZGYYNAISA-N 743.989 8.225 50 1 KKGF BrCc1cc(Br)c2cc(NBr)c(Br)cc2c1Br 64560737 BDGVJGLZXWPMBC-UHFFFAOYSA-N 551.696 6.744 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@@H]1CCC(=O)N2 72283852 JMZJBCNHUJOLER-AYQCGTONSA-N 563.610 6.336 50 1 KKGF Cn1nc(C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)nn1C 95551073 NVDGQLMNXXSKEI-PMACEKPBSA-N 737.652 6.234 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCN(c5ccc(F)cc5)CC4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106530 ATADYDKYYONGJD-QUNBPGEXSA-N 566.714 5.873 50 1 KKGF CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c2c(c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)OCO2 299833172 KFDXTOKHJJMHGM-UHFFFAOYSA-N 650.917 9.368 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587076799 OXIWROYTWCTIDT-UHFFFAOYSA-N 510.713 8.365 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335209 JMIOCUKCLJBLMN-LMSSTIIKSA-N 627.837 6.861 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538917 SDQAMVPAHZIEQL-QHYHEVDHSA-N 577.515 6.998 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587689541 UEBYEGXOBJLYIV-ZCDIYMNCSA-N 562.266 6.178 50 1 KKGF Cc1nc(N(C)C(=O)NC(=O)c2c(F)cccc2F)sc1C(=O)N/N=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1 653857985 YAFBVTRVTWUHFE-QILCKVHPSA-N 593.456 5.517 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963098105 PCZAVSWDNRRXFF-NEUKERRUSA-N 685.975 7.736 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5CC[C@]1(O)C[C@@](C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]3CC(=O)c1cc[nH]c1CC#C2)(C4)[C@@H]5CCC[C@@H](O)CO 2356350807 JZNPJGORXZLNRG-CNSHOJLYSA-N 932.218 7.680 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356355469 FUJBODJNDWCRCY-RUDRGLPGSA-N 639.968 7.775 50 1 KKGF CN[C@@H]1[C@H]2C=C[C@@H](C[C@H]([C@H](C[C@H](OC(=O)[C@]34CCCC[C@@H]3CCC(=O)N4)C3(Cc4ccc(O)c5c4CCCO5)CCNCC3)OC(C)=O)CC[C@@](C)(O)CSS2)[C@H]1O 2356359499 MAPCJYKUWIMPOT-YPPIOSGXSA-N 844.150 5.138 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@H](C)CSS[C@@H]5C=C[C@@]3(C[C@H]5C4)[C@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 2356557552 SGXIRDFTQZNOOT-ZMYMWMOFSA-N 737.176 10.908 50 1 KKGF CC(C)(C=CC[C@]1(C)[C@H](Br)CC[C@]2(C)C[C@](O)([C@@H]3Cc4cc(C(=O)O)ccc4O3)CC[C@@H]12)OO 2356565106 PHHNLIYTQGXJRF-KHCCGMNBSA-N 537.491 6.004 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@H](OO)C(CO)=C[C@]3(O)C(=O)C(C)=C[C@H]23)[C@H]2C(C)(C)[C@]21OC(C)=O 2356635660 FQFQITFMDONOLF-LKXZSKFVSA-N 676.888 6.001 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356655971 DAVJUNNYDKQWTJ-NDWIRGBUSA-N 727.043 6.609 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OCCCO)C3)c2)N1 2356687705 YJBBPGALPKXWRV-DBIHMBKGSA-N 841.150 7.047 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OC)C(=C2CCC(=O)[C@@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356715386 JBYLOGVSQFDBEV-YIKSCOCGSA-N 671.787 6.393 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(C)O)CCC=C(C)CCCC(C)C 2356775082 HPMZVMXLIXSKCH-LYCLCMRJSA-N 580.850 6.799 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H]7[C@H](CC[C@@H]8CCCC[C@@H]87)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356832018 HZAKLJZSHCLBIK-KIKXKARZSA-N 836.133 8.697 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](O)C[C@@](CCO)(CC4(c5ccccc5)CCCC4)C#C[C@@H]3C=C12 2356846899 ORRZMJKAQFCAPS-AUPOAIOHSA-N 994.374 7.550 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@@H]5CNC6(CC#C[C@@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 150346765 LIYNRKCILWEWFK-RXWWGIHJSA-N 886.227 7.698 50 1 KKGF biogenic,in-vitro CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCCCBr)(CCCCCCBr)C3)c2ccccc21 150581918 GPSHASWIRYBWGN-PMERELPUSA-N 647.452 6.919 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]1[C@@H]2O 195488638 JALYFSGCWRLNPP-ZUDJNULVSA-N 617.592 5.988 50 1 KKGF CNC(=O)CCCSSC(C)(C)CCC(=O)N(C)[C@@H](C)C(=O)O[C@@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C\[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@]21C 238730515 MNGBJGFSOBSOSR-NEXANWMLSA-N 911.581 5.981 50 1 KKGF investigational CCOc1ccc(NS(=O)(=O)c2ccc3nc(O)cc(-c4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)c3c2)cc1 586952606 JHKHNCCSBMAJJO-UHFFFAOYSA-N 586.564 7.341 50 1 KKGF N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587181115 SRWRNYGSOMZZEY-INIZCTEOSA-N 975.035 9.379 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(I)ccc3Cl)nc2c1 587182567 JRFHCUQZMMWECW-UHFFFAOYSA-N 559.523 7.908 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(I)c2)[C@H]1c1ccc(F)cc1 587339513 SAKBTRHREGGYSR-RBBKRZOGSA-N 553.165 5.785 50 1 KKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587420769 LVYRFGMFIOSHGU-SCLBCKFNSA-N 506.112 5.514 50 1 KKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@H](C)Cl)cc21 587461001 VUGCNFLIDXWDKA-POXGOYDTSA-N 524.400 6.017 50 1 KKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587536715 ZOFRHNCKQJRZSL-LJAQVGFWSA-N 553.511 7.335 50 1 KKGF O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc1C2 587542489 HFUSGCHIUUMMDV-OFSOJUDTSA-N 531.391 6.481 50 1 KKGF COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587689716 VGCAPTBCZJLWQS-WIDSHULWSA-N 532.837 5.874 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)c2ccc(F)cc2)N1 587729454 GZLYNNZCNGXZFO-DHTHFVMWSA-N 508.765 6.135 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2scc(Br)c2Br)N1 587845370 QNJSUDQUGPBZEE-NZFNHWASSA-N 532.498 6.191 50 1 KKGF CC[C@H](Cl)CCn1cc([C@]2(c3cccc4ccccc34)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 962469766 AQLUFWUXLUFFNK-NIGFTRAESA-N 746.307 10.149 50 1 KKGF COc1cc2c(cc1OC)[C@]([C@H](C)Br)([C@@H]1CCOC1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679749 SLZCHZNXFBNUOT-BQMFCVJUSA-N 542.392 5.436 50 1 KKGF N#CC1=COc2cc(Br)ccc2[C@@]12c1ccccc1C[C@@H](C(=O)O)N2C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717492 UKDLWIJVZKEUGC-OCZFFWILSA-N 711.563 6.609 50 1 KKGF Fc1cccc2c1[C@](CBr)(c1ccc(I)c(F)c1F)N1CCC[C@H]1C2 963113234 QFQDEZFWUQIOGD-BUXKBTBVSA-N 522.146 5.368 50 1 KKGF Cc1ccc(S(=O)(=O)NC(=O)N/N=C2\C[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]3C[C@@H]4O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]4[C@@]23C)cc1 1857763672 BTNNIQZLQPDFKB-ZSFDBGISSA-N 641.875 5.756 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(CC1)C4 2356299378 BFEDPGQBBIBQIW-WKAJQUSWSA-N 890.181 8.319 50 1 KKGF C[C@@H]1CC=C[C@@](C)([C@@H]2C[C@@H]3C[C@H](Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@H]3SSC4)C2)C1 2356350725 IUVWLTGWZVUROF-NCSMYKNFSA-N 561.901 8.956 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@@H]2O)cc(OC)c1O 2356353589 AEMQUFDKHUYILQ-HSHUGKKKSA-N 694.868 6.414 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356353899 UIUXABQNJWNJRT-KEXJBZQNSA-N 827.204 7.920 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(CSSC[C@@H]7CCCC[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@@]7(O)C3=CC6=O)[C@]54C 2356365612 OSOJDQFSDGFHKG-ZBRPUAGJSA-N 874.219 7.555 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@H](O)C2CCCCC2)CC[C@H]1CCN 2356401602 KDFFTWWWHDDJTR-MGGLVPGLSA-N 728.074 7.173 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC[C@@H]4CCc4ccccc4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356418291 FEVYXIZBDPZHOA-ITDDVSGSSA-N 952.242 6.266 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356450957 PCRGTPLJNHBCSV-RIADLSSISA-N 821.123 6.451 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356530579 GBBAFSKMUHKXSA-PYJAEPPBSA-N 929.307 9.041 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C 2356699293 MHVWYQXMFPWHMB-CBSOABCBSA-N 519.755 6.442 50 1 KKGF CC(C)=CCCC(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 2356767437 BEZCYMDSTHRDBG-DEVDXAACSA-N 554.812 6.675 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCCO)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356772995 NVIGVSVOWJJEDT-MMXXSNBDSA-N 960.306 6.669 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H](C(=C(C)C=O)CC[C@]2(C)O)[C@H](CCO)CC[C@]13O)CCC=C(C)C 2356779669 WDTKFTNQHRGVNY-HDARCNCQSA-N 556.784 5.377 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@@H]1C)N43 2356822529 FWOFVYGIUUKRMA-UMMPINQKSA-N 639.880 5.841 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356857981 SOOYABWXBOMBNS-RENKICTCSA-N 525.473 5.676 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@H]1C)N43 2356867167 VSEGMRYTBUTWKF-JNUUHXHDSA-N 732.065 9.209 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](O)C7CCCCC7)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356873123 ZDDAWBJEPQPIGV-HBMUHJIDSA-N 977.347 9.556 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](c1cccc(O)c1)C1=CC2=CN[C@@H]1N 2356874736 YYQXEOXJZFUMSZ-IDHMBHDASA-N 604.794 6.311 50 1 KKGF Cc1ccc([C@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873705 QHSNDYSTFQPVCK-RPBOFIJWSA-N 641.378 6.429 50 1 KKGF CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@@H]1[C@H](Br)C(Br)(Br)Br 43068511 YWSCPYYRJXKUDB-MANSERQUSA-N 665.014 7.461 50 1 KKGF in-vitro C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccccc1-c1ccccc1)OO2 64447049 QTYJKCWAXYEIJO-YNEGYUFFSA-N 515.653 8.241 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@@H]1CCC2=O 96903020 INGXJLGAZSOKJI-ODNAPOIPSA-N 574.633 7.737 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccccc2O)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586949 BVGVNHKJQROPOL-TWJUONSBSA-N 746.876 9.190 50 1 KKGF CC(C)[Si](OC(=O)Cc1cc(I)c(Oc2cc(I)c(OC[C@H]3CO3)c(I)c2)c(I)c1)(C(C)C)C(C)C 195364566 FMLNIYCGQUBEIJ-LJQANCHMSA-N 960.239 8.936 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@@H](n2cc(C)c(O)nc2=O)C[C@H]1O 299816777 RDUNIJYOOPTOPY-YYGZZXRFSA-N 719.146 6.262 50 1 KKGF O=C(Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)OCc1ccccc1 587320718 HFYUJSGQQWYKMO-FIBWVYCGSA-N 576.418 6.929 50 1 KKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320850 HHWQHBZJEKDOCK-GNKBHMEESA-N 512.375 5.918 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OCc3ccccc3)c2)[C@H]1c1ccc(F)cc1 587324125 WCPXASKPRZWTNT-LMSSTIIKSA-N 533.393 6.760 50 1 KKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328010 AEXJJTMBFGLBET-YZUZCNPQSA-N 507.758 6.448 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(F)cc1 587331508 HNQAKZIKJHSVEH-DGPALRBDSA-N 521.991 6.825 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)[C@@H](C2)C3=O 587421292 KYASPJYHLCULJY-BVZFJXPGSA-N 513.333 5.125 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCc1ccccc1 587545395 RKUQMSVTIPAWIS-PZXMZKPCSA-N 544.003 5.869 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 587546573 WTQFUHDIGFZXKF-JOMNFKBKSA-N 525.988 6.081 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sc(=NS(=O)(=O)c2ccccc2)n(CCCCl)c1Cl 587607530 MYMISAULOINGNJ-NFBKMPQASA-N 591.494 5.530 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 587673785 PYEFUUWGKJFPJG-KUNJGFBQSA-N 537.270 7.658 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587858713 SXCNLMJULUUGQC-MVJQZIEYSA-N 606.001 7.177 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 962406132 QZZNEHOZFKSOKJ-ZLHGTEGGSA-N 702.129 8.131 50 1 KKGF COc1ccc2c(c1)c([C@@]1(CCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N31)c(C)n2Cc1ccccc1 962671776 SRZYZKKSDACHDU-JHOUSYSJSA-N 554.090 6.136 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](CO[Si](C)(C)C(C)(C)C)C1 963087495 CSCVMUCAKJHZDN-LJFGWUDESA-N 733.038 9.464 50 1 KKGF Cc1cc([C@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(C(C)C)cc1 963198955 OIOYDWNNQYAQMZ-HMIRPBQQSA-N 649.187 8.553 50 1 KKGF CCOc1cc([C@H]2C(C#N)=C(C)NC3=C2[C@]2(CC(C)(C)C3)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 963199201 PPHYLTIYCYKLLS-YNLKEMQGSA-N 711.815 8.098 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](c2cccc(Cl)c2)([C@H](C)Br)N1C(C)=O 963317422 PZEJGORBHZCGQG-MKRCSTMGSA-N 801.112 6.170 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](c2ccc(F)cc2F)([C@H](C)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367152 MWGSJNZEKLAAQM-XTGPZYCKSA-N 648.500 7.046 50 1 KKGF Cc1cccc2c1[C@](C)([C@@H]1C=C[C@H](c3ccccc3)[C@H]3C(=O)OC(=O)[C@H]31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963918035 XKCBHUASULCFRR-VRMWXWQGSA-N 545.632 5.132 50 1 KKGF CSc1ccc([C@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1 1857570287 GZBMMEGUWPSAKS-HSZRJFAPSA-N 516.446 5.464 50 1 KKGF C=CC[C@@H]1C[C@H](Cc2cn([C@@H](Cc3ccccc3)c3nc(C(=O)OC)co3)nn2)C[C@H](O[Si](C)(C)C(C)(C)C)C1 1857606121 FTKGTPCVWLEKTB-ICCROSPGSA-N 564.803 6.810 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356301122 REKSFDNMCMQDCG-CKPRSBTQSA-N 939.254 8.618 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356349402 DXKBGPCPTODFGM-HCIKXAMNSA-N 688.063 6.471 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356360554 IRYNUMWWXVTTHH-LNRVXDCDSA-N 769.087 7.343 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356366733 PIPSBIQKTMQCDO-KDSNRXRZSA-N 909.262 7.377 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H](C7CCCCC7)CSSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356393933 YGKXZBWHQCIKTG-IGZIBQONSA-N 698.995 9.856 50 1 KKGF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]2(C)[C@H](CC(=O)C(C)=CC(=O)OC)C(C=O)=CC[C@H]2C1(C)C 2356430575 VXHKLPBHZWQEEJ-WRYDTNEDSA-N 542.669 5.019 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)C2)CCCC1 2356649590 QXKMNBCFGXSGMG-ADLMLNSSSA-N 772.090 9.153 50 1 KKGF C=C1CCC(C)=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@](C)(O)[C@@H](Br)CC[C@@H]12 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CNC(=O)[C@@H]1Cc2ccccc2[C@@H](c2ccc(C(=O)Cl)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946053 AOLJULYBUNCEMX-DPRQWMOBSA-N 628.216 5.292 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)C[C@@H]3C=C[C@H]4[C@@H]5CC[C@H](C(C)=O)Nc6c(CO)cc1c(c65)[C@H]3[C@H]4CO)CC(=O)CC2 2356362353 FLAZJTUKYYZSBK-GSDWNPBZSA-N 979.271 8.881 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356369441 FZBJRXJWYUEFKN-SCXNXZJZSA-N 793.099 5.285 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(C[C@H](NC[C@H](C)O)C[C@@H]5CC(C)C)C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356370647 BUXRLMIVRPHVIY-WOMGAPACSA-N 854.138 5.205 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356371297 IXHJJXCTGOXCNY-VBAQHXLZSA-N 951.299 6.841 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](OCNC1CCCC1)CC(=O)CC2 2356372696 KOFDCWBISUDVOF-KAYWLYCHSA-N 611.826 6.729 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1[C@@H](CCCO)C=C[C@@H](C4=O)[C@@]512)CCNC(=N)N3 2356425767 ROHOJMVXUMLBPB-VUJDFRDOSA-N 613.934 5.996 50 1 KKGF CCCCCCC=CCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356525553 SBWPODCMBUGMQH-NHZVJSLQSA-N 739.179 13.200 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@H]3C1 2356575084 AKRMZTJSFJYCJR-YMWTUVBKSA-N 535.607 7.282 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@@H](CCC3(O)CCCC3)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356760891 SKSZHWBNCLSRSF-LVEMXSSGSA-N 957.265 9.296 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356773623 DVRVUVICZDUCTK-UHZGYINZSA-N 914.336 8.140 50 1 KKGF COc1ccc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@@H](O)c2ccc(OC)c(OC)c2)cc1OC 28220401 GJXMMBIBMMTSSM-ROJLCIKYSA-N 711.048 5.349 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CCC2(CCCCCCC2)CC1)OO5 72133437 AMCIEHTWBTYNIL-STAMLIQFSA-N 672.944 9.384 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3ccc(Br)cc3)c2c1 72142376 OJSJZMDZUKLMDP-UHFFFAOYSA-N 574.310 7.064 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Cl 84706589 ZKXUPSOXZRNNEE-QHCPKHFHSA-N 504.421 6.305 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597329 BDDQNHGNMVFAHA-DDPIFMHHSA-N 803.056 8.354 50 1 KKGF biogenic,in-vitro Cc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 98082877 WEDPTZDXXBFBGU-BZDMWUOPSA-N 517.605 5.436 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118922713 QDLRLYPWXMVZLU-UFJSZNTRSA-N 577.501 5.830 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@@H]3c5c-4cc4c6c(ccc(c56)[C@H](SSCCC[C@@H]2O)[C@H]3O)C[C@H](CCCO)[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O 150343720 WYRFCLAKMXVTBO-CMZWFLTISA-N 933.154 9.489 50 1 KKGF biogenic,in-vitro O=C1c2cccc3c2C(=O)[C@]2(CSS[C@@H]4CC5=C[C@@H]6C7(CCCC7)CC[C@]6(C[C@@]6(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]6O)c3ccnc(c35)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 150344717 QBULKGWWWRHSPY-KIKYBFGCSA-N 879.066 5.961 50 1 KKGF biogenic,in-vitro CCSS/C(CCO[P@@]1(=O)OCc2ccccc2O1)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCO[P@]1(=O)OCc2ccccc2O1)SSCC 150566292 PAAIFRPCCCMBFI-MQPXKXKISA-N 945.178 13.318 50 1 KKGF CC1(C)[C@@H]2C[C@H]3OB([C@@H](CCCBr)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)NC(=O)OCc4ccccc4)O[C@@]3(C)[C@@H]1C2 169979014 NCDHKRAKNPGZPV-XRNSQWRLSA-N 708.503 5.443 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)N(C)C(c2ccccc2)c2ccccc2)c2ncccc2c1 299826971 OAJGXGGYQPJGCT-QFIPXVFZSA-N 540.668 5.469 50 1 KKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C[C@H](CCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299831221 YCPDNTVMOBYVMQ-PIUXWQNMSA-N 776.119 11.258 50 1 KKGF C=C(C=O)CCC[C@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C 299847655 HDTJUAYSKZYAMY-HAGATYNISA-N 702.926 5.285 50 1 KKGF CC[C@@H](C)C1=C(C=O)C[C@]2(C)[C@@H](CC=C(C)C)C[C@@]3(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H]12)C3=O 473135859 UMWJFTBXLSDEAV-JFIGKQCVSA-N 522.726 7.063 50 1 KKGF O=C(Nc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)OCc1ccccc1 587320719 HFYUJSGQQWYKMO-OFSOJUDTSA-N 576.418 6.929 50 1 KKGF CN1C(=O)CCc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587321053 HXVKMVPGOJJAIF-RSXGOPAZSA-N 510.359 5.090 50 1 KKGF O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324484 QWJNQJABFKVCOE-VBTAUBHQSA-N 548.997 7.880 50 1 KKGF O=C(NN[C@@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587508877 FTACEGBNCHCFFQ-WEZIJMHWSA-N 502.614 6.102 50 1 KKGF COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F 587557283 RHNRMUVIGAZXLN-CVDCTZTESA-N 507.283 5.254 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 587736569 AYFUPCIIWNNACX-JYXSIEILSA-N 739.094 6.409 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587858299 PYQBLERTJUONJE-WWTSWKCXSA-N 606.001 7.177 50 1 KKGF FC(F)(F)c1cccc(-n2cc([C@@]3(CCl)c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)nn2)c1 962635180 MTXFWWVZNFCFKX-SHQCIBLASA-N 523.990 5.515 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3ccc(-c4sccc4Br)cc3)N12 962647954 VOIAOWRSAQGFBF-FTJBHMTQSA-N 586.349 6.463 50 1 KKGF COc1cc2c(cc1OC)[C@@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674756 LPNNGTPXMMRYRO-JYRCXFKTSA-N 561.000 6.250 50 1 KKGF CC(C)(C)c1ccc(-c2[nH]c3ccccc3c2[C@@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963032091 BXSMTTXXNWSXCE-CREXIDCTSA-N 731.239 10.153 50 1 KKGF COc1cc([C@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 963092598 VSYUYOHXPFPGHC-MSEJLTFDSA-N 663.568 7.545 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(NCCc3c(Cl)cc(Cl)cc31)c1ccccc1C2=O 963101468 BBFRNPXVKMYMHW-YDBLSZJJSA-N 520.243 6.195 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2ccc(O)c(C)c2)N1 963171138 LCYRMJCEKSFPFB-LBHUVFDKSA-N 648.601 6.619 50 1 KKGF Cc1cc([C@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccon1 963187084 LGLAAANKHQCZBK-UVMMSNCQSA-N 598.055 6.418 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccccc2Cl)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948285 RUUBLHGBTCQUJZ-GUFURYGFSA-N 693.129 6.116 50 1 KKGF Cc1cn([C@@H]2C[C@H](C3(c4ccc(NC(=O)CCCCCCC(=O)NO)cc4)SCCCS3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 1857757327 OBLYOUHZDXWOHW-DURBRWELSA-N 721.031 6.690 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3C=C[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356300473 MPUJBQIZZXBFMX-IXFGRIFVSA-N 929.307 9.031 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](Cc2ccccc2)SSC1 2356321965 JKAJGSVUUBCEFD-ROTAYESASA-N 576.784 6.996 50 1 KKGF C[C@H](N)C(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(OC(=O)N(CCCl)CCCl)ccc4[C@H]3CC[C@@]12C 2356336819 NRUFLTXGIPFVSH-UUQYJHEYSA-N 511.490 5.080 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356372501 GDSBARYVMNRMKO-DPSPOYMASA-N 921.273 7.480 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)C2(CCCCC2)SSC1 2356420589 HPRJYVPDOMAMAK-FQEVSTJZSA-N 554.778 6.871 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Br)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356673818 VQGNJNAIEBZJEK-WGURPXDASA-N 539.894 6.547 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@@H](CO)CCO)CCCCC4)c(=O)oc3cc1O2 2356812403 BJJVHDUAUCIUFI-PNBNKPSESA-N 861.140 5.405 50 1 KKGF CC[C@@H]1C=C[C@]2(C3=CCN=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@@H]2C1 2356836283 KZFHRKCUFLMZKM-YFSDDCBUSA-N 529.724 5.760 50 1 KKGF CCCCCc1cccc2c1CSSC[C@H]1C[C@@H](CC[C@@H]2CCc2ccccc2)CN2C[C@H]3[C@H](CC[C@@H]4[C@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]43C)[C@](C)(O)[C@@H]12 2356870528 XSKYQGYTRSZOGE-KWWFGVCYSA-N 800.272 10.709 50 1 KKGF N#CSc1ccc(CCN2CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1I 28636662 MHYCYVTYXPWGHF-UHFFFAOYSA-N 618.535 6.531 50 1 KKGF CSC(Nc1c(C#N)c(SC)nn1-c1nnc(-c2ccccc2)c(-c2ccccc2)n1)=C(C#N)C#N 45259442 YJZLFZQCTHDXAD-UHFFFAOYSA-N 507.608 5.019 50 1 KKGF CO[P@@](=O)(F)CCCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1 49761821 IYZDWRULGTVXNU-UUWRZZSWSA-N 514.519 5.243 50 1 KKGF COc1ccc(OOc2ccc(OC)c3cc4c(cc23)[C@]2(C)CCC(=O)c3coc(c32)C4=O)c2cc3c(cc12)[C@@]1(C)CCC(=O)c2coc(c21)C3=O 49833311 KHLKCFBACLAIBI-HLFYWILQSA-N 694.692 8.223 50 1 KKGF biogenic COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2c([C@@H](CBr)OC)c3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC 82182240 RUKPFISHIWBLSI-XLJNKUFUSA-N 713.672 6.354 50 1 KKGF Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc2)n1 95612364 FXLIRUOXVRNABI-UHFFFAOYSA-N 798.954 6.789 50 1 KKGF Cc1nn(-c2ccccc2)c2c1[C@]1(C(=O)N(CCCCCCCCCCBr)c3ccccc31)C(C#N)=C(N)O2 98083895 QWLQUZCEMPDQGC-WJOKGBTCSA-N 588.550 6.415 50 1 KKGF CC1(C)O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H]([C@H](OC(=O)c2ccccc2)[C@@H](CN=[N+]=[N-])c2ccc3c(c2)OCO3)O1 195193583 UQOYGQIBFSXNIF-DTGGKOQTSA-N 569.731 6.577 50 1 KKGF Cl[C@@H](Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1 299869060 TWWILBWAYDXBCM-QFIPXVFZSA-N 573.948 5.737 50 1 KKGF FC(F)(F)c1ccc(-c2nnn(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)n2)cc1 587112141 IZGLSIZIYJHGRT-UHFFFAOYSA-N 549.245 6.703 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 587538393 AJJDHGCPTFTKQN-RPLLCQBOSA-N 538.825 6.658 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541307 ATVWIBANRONWOX-OXHKVPJQSA-N 525.944 5.408 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1ccccc1 587546206 UYASOTUNDVJHBR-CUBQBAPOSA-N 502.954 5.290 50 1 KKGF CC(C)(C)OC(=O)NCCCNC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@@H](OC(=O)N5CCN(c6cc7c(cc6F)c(=O)c(C(=O)O)cn7C6CC6)CC5)C4)O1)[C@@H](C3)C2 621478424 RZMXREAHDSIOPR-QFSJNDKESA-N 837.943 5.603 50 1 KKGF C[C@@H]1C(C=O)=CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1[C@@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971352 ICLUPOSULWKABM-FVPNVTLFSA-N 654.151 5.582 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(c1ccc(OCCCl)cc1)[C@@H](CC)c1ccccc1 962992717 YBSVERFKCLMYKR-DWEWYUIOSA-N 646.611 8.070 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(C2=O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014574 IYIJTQORCXNQTC-XIGSZWRESA-N 569.883 5.569 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCl)(c2ccc(Br)c(Cl)c2O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963083238 OHFPKKVUTBWYKL-FXBDCZLJSA-N 839.459 9.247 50 1 KKGF CCN(CC)C(=O)[C@@H](Cl)[C@@]1(C)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229049 GYIBNHKSTMMYBT-RZBJZMOUSA-N 667.071 5.160 50 1 KKGF COc1ccc(-n2c(C)cc([C@]3(CCl)c4cccc(Br)c4CCN3C)c2C)cc1OC 963282148 WGAXXDLYHQOBLM-VWLOTQADSA-N 503.868 5.844 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CCl)c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 963905535 YFFBNPDSYRWPEE-RCRUUEGKSA-N 591.963 7.828 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946308 DAQSXQGPRUMJHQ-WBZAZUGDSA-N 803.801 6.263 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)/C=C(\C#N)c5ccc(C(F)(F)F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857598823 QEBYWPDBAKIRGJ-PYZHFFOYSA-N 731.852 9.716 50 1 KKGF COc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857618838 ZJFVRVLSUOVUAQ-WEAWZCMZSA-N 596.083 6.335 50 1 KKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccc(I)cc2)cc(C(F)(F)F)c1 1857767878 TWRAJQQMKTVEFQ-UHFFFAOYSA-N 566.789 5.858 50 1 KKGF C[C@H]1N[C@H](C(=O)NNC(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)Cc2c1[nH]c1ccccc21 1911573067 RZLARPMCBCQXDA-DXPJPUQTSA-N 525.012 5.150 50 1 KKGF CNCCCC[C@@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356293040 ZQDSELUWTNKESP-KIXLJPMUSA-N 873.198 9.185 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1O 2356453953 RSYMSFYFRRTHOX-SBHSYWFISA-N 864.551 11.218 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356656017 DUQLAWUGWNZQMW-JFZHUJGDSA-N 779.072 5.242 50 1 KKGF O=C(N/N=C/c1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28641030 DATTZAKFCPHSJW-IRWBXMRWSA-N 545.527 7.504 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O 85593843 RIOIXFPQBLNMDR-VNGVFTILSA-O 805.959 6.263 50 1 KKGF biogenic,in-vitro CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2cc(CO[Si](C)(C)C(C)(C)C)ccc2o1 169976533 GNOZEVKARJJGCQ-ASVWTAOFSA-N 692.930 6.615 50 1 KKGF Fc1ccc(-c2cn3c(Cc4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)csc3n2)cc1 587166172 OJWZYLWDXSJKAE-UHFFFAOYSA-N 553.351 8.089 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)[C@@H]1c1ccc(F)cc1 587320702 GYIXBJQXZFQYJW-KCWPFWIISA-N 538.369 5.100 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl 587359620 IFPQEMRVEGOQRK-YKSBVNFPSA-N 588.278 6.281 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1 587688260 KDJJKRLLUFVEON-YQQIJLMBSA-N 541.675 7.163 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5C[C@H]6OC(C)(C)O[C@@]6(C(=O)CCl)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 587715399 HONSAAPSFPPSQH-YHOPNRNNSA-N 669.047 6.652 50 1 KKGF C/C(NNC(=O)COc1ccc(Cl)cc1C)=C1/C(=O)c2ccccc2[C@@]12c1ccsc1CCN2Cc1cccn1C 962401916 XQCSNLFBBSSIQO-NSQMGQQPSA-N 587.145 5.520 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@]2(CCC[C@H]2Br)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962715262 RAXYVYHWERROFA-NGKQEFFVSA-N 624.526 5.946 50 1 KKGF CS(=O)(=O)Nc1cc([C@@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1O 962721215 WLASOMZBEHWAGS-NWWLCHBLSA-N 769.665 5.519 50 1 KKGF CC(C)(Br)[C@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963007176 BBSZTTDIMKCBLA-MBSDFSHPSA-N 568.693 5.737 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@]2(c3ccccc3OCC[C@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963030907 CMXPUOSFOPSUMT-NXQYUGEOSA-N 646.484 7.015 50 1 KKGF C[C@@H](Cn1ccnc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C 963067109 NINGWFAINYERMO-HVLXEHQLSA-N 598.817 5.862 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2ccc(OC(F)(F)F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963075924 GTBBHPRSSSCUQP-VWMWMKPNSA-N 838.566 9.180 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 963092563 KNRWQASHZVHZHU-JKOLSROFSA-N 747.339 8.678 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@@]23c2cc(Br)ccc2OCC[C@@H]3Br)c1 963584051 SAQCSDOTCYOTEK-WNJJXGMVSA-N 689.326 6.910 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832126 LLANNMDXUGZDNB-YCNGQNCPSA-N 617.672 7.865 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccc(/C=N/NC(=O)c5cnccn5)cc4Sc4ccc(C(F)(F)F)cc43)nn2)cc1 1857574150 CTLQTSQYSUTGSU-JAVCYFNSSA-N 611.613 5.574 50 1 KKGF CCCCCCCCCCCCCCCCCCSSCCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCCSSCCCCCCCCCCCCCCCCCC 1857585700 HSYASDHEZVQIFC-YACUFSJGSA-N 976.564 17.283 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356300033 KDSYVRLFZAFSFL-CDOCYWICSA-N 946.245 8.975 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)CCCc1ccccc1 2356364738 XJXWSEROVOZLLF-QZFGVDEJSA-N 590.845 6.973 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(Cc5cc[nH]c(=N)c5)CC(=O)N(Cc5cc(c6c(c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c2cccc(c2)C1 2356774800 DPARXGBGNZNJEM-NNJLLXIZSA-N 988.361 5.177 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145614 LHQFHVUYBYKYEY-QWNQFIMISA-N 581.797 7.949 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 44430783 CYPJKKBEVOGYIM-WBVHZDCISA-N 514.423 5.003 50 1 KKGF O=[N+]([O-])c1ccc(COP(=O)(N(CCBr)CCBr)N(CCBr)CCBr)s1 49820191 RBTARXCHKGDVGQ-UHFFFAOYSA-N 664.977 5.465 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 49952194 YRZOFWYSUVSYSR-VKARVTOHSA-N 620.780 6.496 50 1 KKGF CN(C)c1ccc(/C=C/C=N/C2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 72123739 IMSQPIKYHPMKOQ-WOTIDYJHSA-N 646.600 6.837 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C(\CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 587069577 KZCHFSXUKSSBCJ-SFQUDFHCSA-N 563.817 9.810 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 587326609 MCBHUCRJNHYIPY-DGPALRBDSA-N 520.000 6.831 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)(C)C 587530227 FGNOTMFADUGAJW-RWYGWLOXSA-N 747.013 11.237 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)cc(OC(F)(F)F)c1 587555727 LUNSWLFIWAGDTN-RXVVDRJESA-N 529.692 6.196 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685833 BLCJVGVWAVCGAE-AKJBCIBTSA-N 519.886 6.274 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C\C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 587794877 VOBRJVBIRXBPRE-WAINRWSISA-N 617.566 7.735 50 1 KKGF CNc1ccc(-n2nc(-c3ccc(OCCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc3c2=O)cc1 653845133 WKXPEFZPEJMHOM-UHFFFAOYSA-N 660.778 8.248 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962926708 UFJWEBCPXVRSSJ-LHHUKBANSA-N 607.128 5.116 50 1 KKGF C[C@H](Cl)C(=O)NC[C@]1(c2ccccc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963190828 RNNNPFBGSSNTRW-WHACENGGSA-N 585.056 5.527 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CO 1857533764 PIWPKWRRHRILPF-HDTLSCSRSA-N 537.505 5.338 50 1 KKGF COc1c(I)cc([C@@H]2C(C#N)=C(N)Oc3c2ccc2ccccc32)cc1I 1857568964 CEWAXTVFAFXJAP-SFHVURJKSA-N 580.163 5.276 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356350886 MAJUCGJMABFGIR-PSVZYBADSA-N 811.161 7.142 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@@H](O)C1)[C@@H]2CCC(C)C 2356370218 NJOQOVRXKKKSQC-WHCAKEBYSA-N 759.092 7.542 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@@](C)(O)C1CCN(CCCOC)CC1)C3 2356388550 JTFCALOVYPLEOP-UYYZVSHWSA-N 742.866 5.171 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356487692 IXRANGUGSVRSRI-LUIYHIRUSA-N 612.980 11.333 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)C[C@H]([C@@](C)(O)C2CCCC2)O3)O1 2356647409 LXCVRNKYDMTKNL-VLVNFARTSA-N 625.718 6.120 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1CC[C@H]4[C@@H](O)C1 2356831562 JQMKQSPWHVKCKG-HVVLIVIUSA-N 867.063 5.197 50 1 KKGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOP(=O)(Oc4ccccc4)Oc4ccccc4)[C@@]13OO2 14293587 ZXZAJJJYOSBQGV-JILMNHAFSA-N 504.516 6.275 50 1 KKGF Cc1ccc2oc(=O)cc(COc3ccc([C@@H]4[C@@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)c2c1 49709847 UDVOEWUKOOISDH-JWQCQUIFSA-N 524.798 6.138 50 1 KKGF Cc1cc(C)cc(C(=O)N(SN2CCN(Cc3ccc(Cl)nc3)/C2=N/[N+](=O)[O-])N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1 150590150 MPXKWANMINXQHM-BVNFUTIRSA-N 638.194 6.195 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3cccc(C#CCCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309794 DTMALESYWURLBA-VQRQAMGHSA-N 746.938 7.619 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1OCc1ccccc1 587327317 OYPYFGQFZGXSDI-YTMVLYRLSA-N 505.973 6.072 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)c(F)c(F)c(F)c1F 587556303 NYYCJQORKUTIGV-YEJXKQKISA-N 501.201 5.340 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@H](C)Cc1ccc(F)c(Br)c13 587742486 RRGGZUODUFFBRS-ZONORLMDSA-N 719.780 9.141 50 1 KKGF C/C=C/Sc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653700291 SQXDIOMRIBULLX-NKUMAWHESA-N 552.871 5.964 50 1 KKGF O=[N+]([O-])c1cccc([C@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1Br 962953649 KCSBRXMIHJTCOE-FQEVSTJZSA-N 564.196 5.666 50 1 KKGF COc1cc2c(cc1OC)[C@]1(c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1)[C@H](Br)C2 963020381 PJYBTVUKLPGXQR-OMRWSRCMSA-N 595.877 5.553 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CCl)(c2c[nH]c(C(=O)N3CCCC3)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963036895 PJTRLNMWLTXRRV-BVGRYSDNSA-N 646.090 6.272 50 1 KKGF CC(C)(C)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963088622 DFOBCGLILOYNPW-DITALETJSA-N 524.104 7.470 50 1 KKGF CS/C(Nc1ccccc1Cl)=C(\C#N)[C@]1(C(C)(C)C)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963155185 YAKQRCPNAFKFJP-PDCDLWMZSA-N 563.145 6.495 50 1 KKGF O[C@H]1CC[C@H](NCCCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1 1772616033 NGFLSRGLDYRLPU-NZWFCGOHSA-N 511.703 5.833 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(-c4cc(-c5ccc(Br)cc5)[nH]n4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857653019 VBFSEDNKJOTGOY-DQRMWNQHSA-N 581.507 7.093 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356350360 AQXDRUDBROEMMX-ZMYMBUMOSA-N 690.973 5.657 50 1 KKGF C[C@@H]1CC=C[C@]2(CCC[C@@H]3[C@@H]2C[C@@H]2C[C@@H]3Cc3cc(O)cc(c3)Cc3ccccc3CN[C@@]3(C)CC[C@H]2SSC3)C1 2356357111 OWJFWYLNLZLJIG-IMUPGCAUSA-N 587.939 9.346 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@@H]2C=CC[C@H]3O 2356448453 DOJPNPCPVHCLLA-HXEXFFIXSA-N 916.264 5.452 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C3C#CCC4CCC5(CC4)C(=O)NC[C@H]5[C@@H]3C1)O2 2356873660 YHPFIMDISIXRFV-ZRWYMPNKSA-N 970.085 5.206 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(NCCCNC3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)c2c1 44387501 PUIHSUKXZWLZTN-UHFFFAOYSA-N 578.153 7.211 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN(CCCCNC(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49793591 IGDOQPRCTPHTCT-NJMSHUOMSA-N 639.875 6.149 50 1 KKGF O=C(N/N=C/c1ccc(Cl)c(Cl)c1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 58494208 JMYJFTKEWABDJH-ROPCREHHSA-N 671.176 7.648 50 1 KKGF COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](OC(=O)CCl)[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 84732718 XOTDGWOGNDQPKH-ULIZTGIPSA-N 655.700 6.843 50 1 KKGF CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2 103530291 XJGFYCDKARQPCK-JTOILGAVSA-N 567.773 7.007 50 1 KKGF biogenic,in-vitro CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)CC/C=C(\C)CCC=C(C)C 238731244 IXRANGUGSVRSRI-MVNXMOOBSA-N 612.980 11.333 50 1 KKGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)CN(CCNc4ccnc5cc(Cl)ccc45)C(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 473154541 IHBJPNCUGWJYBU-YUZMNKPASA-N 681.325 8.065 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@]1(C)CBr 587674523 XJMZQYIGYOWZDB-ZPSLJJIOSA-N 524.110 5.912 50 1 KKGF COc1ccc(C)cc1[C@]1(CBr)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041143 QPSHWXAXBALRQO-HKFHRXRESA-N 648.500 7.181 50 1 KKGF NS(=O)(=O)c1sc(Cl)cc1[C@@]1(CBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963222183 YOMVQKSYYLOXGS-CHJDUVSTSA-N 794.014 5.470 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCN(C(=O)OC(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)C2 963244888 XOXAODRCYXMDPE-AAEPNQCFSA-N 502.816 6.960 50 1 KKGF COC(=O)c1ccc(OCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1857538461 BBWYHYSEYWCMPA-UHFFFAOYSA-O 569.702 7.673 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356293772 KEXABOOLVFICPY-KWLQSANCSA-N 772.002 6.779 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356371296 IXHJJXCTGOXCNY-UKGOMRTOSA-N 951.299 6.841 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356390395 AMLQXPCJWJTBPJ-UHUCFOTISA-N 983.303 9.296 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCCC[C@@H]3[C@H]1OC4=O 2356753298 KHVOVXGEZOOIJA-PGIAVOEKSA-N 702.855 6.035 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]5CO)c1 2356843758 NPCTYBWFEWOHRC-CTGZYBAVSA-N 818.155 8.301 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 44093547 QHBVSZZSIUMZBD-YKFGQAKVSA-N 536.753 7.268 50 1 KKGF ClCCN(CCCl)CCOc1cccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 49670063 INDALCKPPPSPIR-UHFFFAOYSA-N 638.467 7.448 50 1 KKGF C=CC(=O)OC(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299805122 WJVIURDOXNGURO-PEZLZHRDSA-N 510.759 7.261 50 1 KKGF C=C1C[C@H](C)C[C@@H]2CC=C[C@@H](C/C=C\C(=O)O[C@H]([C@H](/C=C/[C@@H]3CC(C)=CCO3)O[Si](C)(C)C(C)(C)C)C[C@@H]3O[C@H]3[C@@H](O)C1)O2 299819447 QJWHHEZLXVNIPS-ISIUGYSDSA-N 628.923 7.135 50 1 KKGF CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)/C(=N\NC(N)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299822401 ADVIYLOHAUAKPE-HTQVZWHSSA-N 928.130 5.041 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 586974750 ZAHKEZQJPXWLTK-HNNXBMFYSA-N 557.431 5.533 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587319273 AYNIKOWMWQEGAL-LMSSTIIKSA-N 533.393 6.760 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)OCc1ccccc1 587502350 CBSSGGWOABMSPM-BHBYDHKZSA-N 522.016 6.185 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)(F)F)cc1 587559189 ZLYQGAMVCTVFJM-SHQCIBLASA-N 543.925 6.794 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)cc1Br 587571181 ZKVUKVVGHOENHO-WIYYLYMNSA-N 508.137 5.546 50 1 KKGF CN(C(=O)NC(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 653865376 XPSGBHPPMBLRJV-DRVPFVGDSA-N 647.426 6.228 50 1 KKGF COc1cc([C@]2(C)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1OCCCCl 962472423 GWRLVPCRZHMXBD-QTQRRKOQSA-N 613.110 6.622 50 1 KKGF CCCC[C@@H]1C(C#N)=C(C)NC2=C1[C@@]1(CC(C)(C)C2)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962569214 JTCGCIIZOSTEJX-SSIAAPNPSA-N 642.800 7.819 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(c3cccs3)[C@@H](C)Br)c(O)c2C(=O)O1 962972161 QRROOEWFJYNMAD-WQCZRRSHSA-N 604.906 5.387 50 1 KKGF Cc1cccc([C@]2([C@H](C)Br)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963042439 SINZLEQLQLTYIS-ZWLQUXTFSA-N 632.501 7.561 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)cc1Cl 963135919 GFUCQDBMAUYAIX-CHAGWJKLSA-N 559.888 5.674 50 1 KKGF 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CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](C(C)C)Cc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2)N1 2356365140 GBJSZTWRNAFNKA-SYZUAVQXSA-N 785.086 6.907 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CC3(CCCC3)CC[C@@H]1CC[C@H](CO)OC)CC[C@H](O)CC(=O)CC2 2356367488 FNUXVUFAYOGWDY-UYRHVBDOSA-N 987.339 6.802 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@@]3(CNC)CC[C@@H](CCOC)C3)c2O)C1 2356487099 OPPJIYPQDGXOJL-PANMXQADSA-N 797.141 8.513 50 1 KKGF CC[C@@H](C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]5O[Si](C)(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356653510 FUWBZRNBUHDSFT-ATYFBPKNSA-N 863.575 13.062 50 1 KKGF COc1cc(O)c([C@H](C=Cc2ccc(O)cc2)C[C@@H](CCc2ccc(O)cc2)OO)c(O)c1C(=O)C=Cc1ccc(O)cc1 2356753010 MPNYQBPECDEHJJ-VAVYLYDRSA-N 598.648 6.797 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24CCCC[C@H]3[C@H]1OC4=O 2356753296 KHVOVXGEZOOIJA-NHHWIMTQSA-N 702.855 6.035 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@@H](O)CCCC1 2356817736 DMZFUBHAJJMCSD-WALRIRDLSA-N 804.132 6.335 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 253977503 MGVIMUPHKPHTKF-OOBGNBTDSA-N 867.086 5.951 50 3 KKGF Cc1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]cc(C)c32)cc1 26157088 RYDCHFQNGYFWIS-VTTLIPMSSA-N 655.582 7.442 50 1 KKGF C=Cc1ccc(S(=O)(=O)OC2=C(C(=O)OCC)[C@@H](c3ccccc3)N(C(=O)CCl)[C@H](c3ccccc3)C2)cc1 44431255 HEXDNQLETKIMAW-ABYGYWHVSA-N 566.075 5.806 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(N)=O)[C@@H]4CC[C@@H]3C1)OO2 64403844 RNUOJXLSZCDTCT-XBAHIYFHSA-N 589.814 6.991 50 1 KKGF CC1=C(OCC(=O)OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 95558999 OPZXHSGHPNBCNM-UHFFFAOYSA-N 549.583 5.284 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCCCc2ccc(N(CCCl)CCCl)cc2)C(C)(C)CCC1 95578878 MDUYXZPSYVGWTG-WKIYQPNQSA-N 557.650 8.551 50 1 KKGF CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95612965 YIRPLGKUOHBEPW-KUXAXAEYSA-N 790.251 6.825 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2cccc(Cl)c2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103294865 MKMHOVZRWUBIOH-UHFFFAOYSA-N 511.087 7.460 50 1 KKGF COC(=O)[C@@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@@]1(C)CC2 195458020 WPTTVJLTNAWYAO-BFEJJIHSSA-N 505.699 6.379 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccc(OC(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 221037494 APJOVJKWLATWSU-LALXJTNGSA-N 656.633 5.867 50 1 KKGF COC(=O)COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@H](Br)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 253738358 QXDZABCOJDUJGT-GTOFWJHUSA-N 607.670 7.383 50 1 KKGF O=C(NNC(=S)Nc1cc(Cl)ccc1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828967 YGHQQZLPQSXXQD-UHFFFAOYSA-N 525.505 6.641 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(C)(C)C)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191704 VOLQABOIGQLSCM-INVFCUHXSA-N 617.875 7.892 50 1 KKGF O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324481 QWJNQJABFKVCOE-QIKUIUABSA-N 548.997 7.880 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 587672398 FSTMHJUAZHTTMG-MQNRADLISA-N 610.159 7.006 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc2c(c1)OCO2 587689762 VTJLPIROFBLRQG-DLUDVSRJSA-N 519.842 5.800 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587858721 SYEKIZHONKEDBE-KUNJGFBQSA-N 577.947 6.541 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1c[nH]c3nccc(Cl)c13)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674004 LSEHVSLVDNFLLM-SANMLTNESA-N 564.391 6.433 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963043431 UXZUGUQRIBLOQK-WECIHKQLSA-N 715.547 6.892 50 1 KKGF Cc1ccc2sc([C@]3(CBr)c4ccccc4CCN3[C@H](C#N)c3ccccc3)c(C)c2c1 963191277 OEOLBQHIBOKTNH-NAKRPHOHSA-N 501.493 7.280 50 1 KKGF Cc1cccc2c1[C@](CBr)(c1ccc(I)c(Br)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905049 UPBGFRJAKUDMQK-OSPHWJPCSA-N 679.187 6.637 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCCCCOc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857588946 LDSYJRHDPUXRPI-XGQBBNRKSA-N 642.168 7.940 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356354229 HQWLZJXSSIRTNC-MTUAJABISA-N 769.124 7.514 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2C[C@@H](O)CC[C@H]2CNC)Cc2cccc(c2)C1 2356357493 RVCLSSVXSFYGSY-WSJMXQKOSA-N 958.335 5.326 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@H](NC[C@H](C)O)C2)Cc2cccc(c2)C1 2356358288 OCVUCDWWQUSGHM-UTHAQVBUSA-N 998.400 6.393 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC)C3)c2O)C12CCCC2 2356366433 IRUIVDQEMNTHHS-GNUSDKIRSA-N 909.269 8.916 50 1 KKGF C[C@H]1CSSC[C@H]2C[C@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)[C@H]1CC3(CCCC3)C[C@@]3(C=CC[C@@H](C)C3)[C@@H]1C2 2356373840 IZXMNCMTZQGOLO-LARBMENWSA-N 615.993 9.984 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@H](C2CCCC2)Cc2cccc(c2)C1 2356429568 ABNPPIOWWRSWNX-YQXQRXKASA-N 729.059 6.713 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356493661 ANPOGWGODPOCJF-VADIEQDPSA-N 885.240 7.069 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CCC[C@@H]2CN(CCCOC)CC[C@H]21)C3 2356494277 XSXWSLZPQXMXJY-JXIBTDFQSA-N 768.904 5.561 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@@]3(C)CC[C@@]2(C)CC1 2356540559 BZWGMCWZXRKRBF-JCESVIQDSA-N 578.878 9.692 50 1 KKGF C=C(CO)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2C=C(C)CCC=C(C=O)[C@H]1OC(=O)C(=CCCC(=CCCC(C)=CCOC(C)=O)COC(C)=O)CCC(=C)C(C)C 2356565150 QLBJSUHGWCUOJG-SHOCBOQASA-N 778.936 6.800 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356679699 CZHRPEINYJEVAY-UXCRTBEISA-N 905.189 8.032 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)CCC=C(C)CN[C@@H](C)CCOC 2356775283 KMSAOIKHLIDXRK-KZPKQQDSSA-N 658.965 5.599 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c2c1CSSC[C@@H]1CN[C@@H](N)c3ccc4c(c31)Cc1c[nH]c3cn(cc13)[C@@H](CC#C[C@@H]4O)O2 2356778055 KYNPMNGSCJRWTE-OHDBJKNTSA-N 714.954 6.656 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@](O)(C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356824222 GTPCODLPCNLXEB-NPHDVHPRSA-N 899.186 10.897 50 1 KKGF CNCc1c(O)c2c(c3c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 2356838883 MEEMUWMUIJCHGZ-FSWUDDIYSA-N 945.217 7.521 50 1 KKGF Cn1c(SSc2c(C(=O)c3ccco3)c3ccccc3n2C)c(C(=O)c2ccco2)c2ccccc21 13740086 VBVPZSVKUYZRHE-UHFFFAOYSA-N 512.612 7.117 50 1 KKGF CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 51091126 XRPKKOWZHZOYHW-FGZHOGPDSA-N 597.717 6.745 50 1 KKGF O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NNc1ccc(OCc2ccccc2)cc1 58581831 DWZCLQMRHOJBPC-PMERELPUSA-N 567.642 5.527 50 1 KKGF biogenic CCCCOc1ccc(-c2cc(C(=O)N/N=C(\C=C\c3ccc4c(c3)OCO4)c3ccc(OC)cc3)c3ccccc3n2)cc1 71340376 MKLYJUKXGJVEGU-WRAVDCKZSA-N 599.687 7.666 50 1 KKGF CNC(=N)N[C@]12CCC[C@H](C1)Oc1cc(ccc1O)C[C@H]1[C@H](C=C[C@@H]3[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]31)SSC2 85597167 ZVXOQNXYVZAKPZ-DZVPWRIBSA-N 776.978 6.194 50 1 KKGF biogenic,in-vitro C[C@H]1[C@@H]2CC[C@H](C)[C@H]3CC[C@@]4(C)OO[C@@]23[C@H](O[C@H]1C(=O)C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]1C)[C@]52OO3)O4 169293984 GZJIPMCINQOOAP-UHGFYLOASA-N 576.727 5.447 50 1 KKGF CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195460557 OTUWKKUTCWETKI-GNKBHMEESA-N 574.823 5.012 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ncccc2c1 299823191 DDUPQCHNUXKISK-AWEZNQCLSA-N 538.958 5.532 50 1 KKGF CCNC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(CC)CC1)OO2 299847041 DTSHGLFOKHBUIU-UEODABEMSA-N 675.904 7.184 50 1 KKGF C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(F)(F)(F)(F)F)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C 586914633 XBJAIYYSJBBENU-OODUKXODSA-N 694.804 7.125 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 586977235 JJYNNTOWKADZSP-UHFFFAOYSA-N 542.549 7.978 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 586980643 ZRBUTUCPHIESLS-UHFFFAOYSA-N 512.523 8.066 50 1 KKGF O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 587106414 AZWDOXIMSTYMSP-MHZLTWQESA-N 732.491 10.824 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)[C@H]1c1ccc(F)cc1 587328088 IRHUATCWQHQTSG-UNMCSNQZSA-N 513.256 6.339 50 1 KKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541933 DUNLRFZPLGEQLH-IWGZPIKUSA-N 515.005 7.061 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(c1ccccc1)c1ccccc1 587688785 OEPRLFDCHPZXLJ-QTEAWJPNSA-N 551.931 7.661 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587717900 MMPZFUJJSYPZCF-PEGQSIQASA-N 681.058 6.865 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)/C(=C\C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 587794876 VOBRJVBIRXBPRE-RIZQORLQSA-N 617.566 7.735 50 1 KKGF Cc1ccc(-c2noc(C)c2[C@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962952067 HAYMFFVHTZGSAC-VWLOTQADSA-N 535.404 6.267 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1cc(C)n([C@H]2CCS(=O)(=O)C2)c1C 962991482 IXFYPZYGHFKAOK-QXNWPYRLSA-N 633.594 5.275 50 1 KKGF CC(C)C[C@]1([C@@H](Br)[C@@H](Br)c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963106354 LAYKSJLUKGJXPG-ACRUOGEOSA-N 520.136 7.280 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](C)(CCBr)N1 963159661 RACUCPPQZKKWAJ-QCENPCRXSA-N 570.531 5.967 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)C(=O)[C@]1(C)CC[C@H]2[C@]1(C)CBr 963175774 RYYPRAINYNSPFT-QGYFMNFYSA-N 664.644 6.562 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(OC(F)F)cc2)N1C(=O)c1ccccc1 963417237 QNNHRZJUXCTGTP-CUNXSJBXSA-N 555.375 5.560 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1ccc(N)cc1)c1ccccc12 1772619942 QFUZLMDNMVVWCE-BHVANESWSA-N 613.641 5.018 50 1 KKGF CCCCCCCCCCCCCCSSCCO[P@](=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21 1857619291 DWECYBRWWSJEDQ-JOCHJYFZSA-N 575.782 7.056 50 1 KKGF CC[C@@H]1C=C[C@]2(c3cc[nH]c3)CSSC[C@H](c3cc(O)c(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@@H]2C1 2356363708 OKPTYTCLMYWRKU-JOXWEEAOSA-N 545.723 5.734 50 1 KKGF COc1c(O)c(OCCC(C)C)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@@H]3CO)[C@H]1[C@H](O)[C@H]2O5 2356365985 XPFDXDVSOSRJAQ-UWNDJQTMSA-N 762.987 7.450 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOC)C3)c2)N1 2356711594 HOMMFWZRPGECIA-JOCSGZMRSA-N 727.006 6.707 50 1 KKGF CC(=CC=CC=C[C@@H]1C(C)=C[C@H]2[C@H](CC[C@@H](C)[C@H]2O)[C@@H]2C(=O)OC(=O)C(C)=C3C[C@H](O)[C@H](C)C3=C21)C[C@H](C)C[C@@H](O)[C@H](C)C(=O)O 2356737434 RPAJEXJBXAMICD-SVEMUGEJSA-N 636.826 5.856 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@@H]3c4c(ccc5cocc45)CCC[C@H]3NC(=N)N2)C1 2356768709 UBICITBYWJWTHD-BABMYASXSA-N 920.383 12.421 50 1 KKGF CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@H]1O 2356839347 LTMVZCWRFNDCOT-VCVOIWOKSA-N 915.235 7.924 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SS[C@H]7C=CC8=C(NCC=C8CC4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356841353 NHNCZNJQLKXWRZ-WNBCJADBSA-N 672.913 7.224 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@H]2[C@H](O)CCCC1 2356844795 NZIFUCFUWBLRMN-MJJOFNPDSA-N 750.040 5.382 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(Br)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(Br)ccc21 26171495 GCAJVGAKBPOEBH-UHFFFAOYSA-N 720.512 9.499 50 1 KKGF COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cc(Cl)cc(Cl)c3O)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1 44352313 KMAYSBCHQXWJNA-DPNNOFEESA-N 565.501 7.071 50 1 KKGF Cc1cc(N(CCCl)CCCl)ccc1/C=C/C(=O)/C=C/c1ccc(N(CCCl)CCCl)cc1C 66263716 IHKUEZIERMFIRM-NXZHAISVSA-N 542.378 7.167 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)N3C(=O)CCC3=O)[C@H]12 73168913 YOZBQJOSNGGTON-HBIAUOCNSA-N 563.735 5.714 50 1 KKGF COc1cc(N[C@@H](C)CCCNCc2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 84739861 KMUWMAAXVZWHMR-BQQZZGHNSA-N 645.841 7.338 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@H]3C[C@@H]4C(=O)C=C[C@H]5[C@H]([C@@H]3N5C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2)[C@H]4NC 85594529 HCUNPAMIWFRBGO-BICMGDHCSA-N 766.942 5.074 50 1 KKGF biogenic,in-vitro N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933497 QEZPLPRGVOBXKX-LOSJGSFVSA-N 520.936 5.767 50 1 KKGF CCO[C@@H]1[C@@H]2C[C@@H]3C(C)(C)O[C@@](C/C=C(/C)C=O)(C2=O)[C@@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@@H]12)C=CC(C)(C)O4 100774145 IKFKEJSONUWRCD-KDJBWNJJSA-N 590.713 5.722 50 1 KKGF endogenous,in-man Cc1c(-c2ccc(OC(F)(F)[C@H](F)Br)cc2)sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1C 103203311 FHCGEUNSQGCFPA-QFIPXVFZSA-N 574.825 7.949 50 1 KKGF C/C(C=O)=C\CC/C(C)=C/CC/C(C)=C/[C@H](O)C/C=C(\C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)CC[C@]1(C)O 140576712 XGRHDCURGCZZNS-PRDZDZKNSA-N 606.841 5.074 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 150347677 SKSZHWBNCLSRSF-OGIQUCGNSA-N 957.265 9.296 50 1 KKGF biogenic,in-vitro O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586988 VRBMXSWWVLWSPY-UZNNEEJFSA-N 765.322 10.138 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCc3cccc(CNC(=O)CCC(=O)O[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169290754 JDQMWWSYBLADFJ-OBIOAJIYSA-N 869.018 5.982 50 1 KKGF CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)ON[C@H](C(=O)OC)c2ccccc2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716316 IDQIOCPNARXHDX-FHRCDVRISA-N 593.717 5.464 50 1 KKGF Cc1ccc(S(=O)(=O)N2C[C@@H]3CC[C@]4(CO[Si](C)(C)C(C)(C)C)N[C@@H](c5ccccc5)[C@H]2[C@H]34)cc1 195494172 LUCIQHVGOJQLIA-HRUXOILCSA-N 512.792 5.499 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1cccc2ccccc12)=N/O)/C(Cc1cccc2ccccc12)=N\O 299861197 KUSRYOUWRNMJIJ-DENOHBPFSA-N 574.728 5.052 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191396 ZNDHQJMKPKNKHL-IROVJIRSSA-N 651.761 6.411 50 1 KKGF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587233950 XUWYLBHTJLYZQR-JQWIXIFHSA-N 506.335 7.144 50 1 KKGF Cc1ccc(OC(F)F)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587329163 KTADYRXPACLEIJ-QPPBQGQZSA-N 507.302 6.090 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587498330 NARCYBIIMKXUPS-UIOOFZCWSA-N 508.873 6.722 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 587679176 FMJXENMENJIZFP-HUTHGQBESA-N 517.053 5.496 50 1 KKGF Cc1ccccc1[C@@]1(CCCCl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962719297 SXUOSCKENODBRQ-UVNLRBHVSA-N 658.189 7.374 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1-c1cc(Cl)ccc1Cl 962983031 YKARYYGLFKYCSD-WZONZLPQSA-N 534.217 6.414 50 1 KKGF O=C(O)c1ccccc1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963006176 HXIDSUNNARKEML-AMGIVPHBSA-N 567.823 5.310 50 1 KKGF O=CC1=C(Cl)[C@@H]([C@H]2c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)CCC1 963044415 WKNAJUQFJJYJGE-MLYIPFRESA-N 578.011 6.758 50 1 KKGF C[C@H](Cl)C[C@H](Cl)[C@@]1(c2ccccc2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045234 YAXQRTKCQOCJDE-PKFCJVOASA-N 636.522 8.094 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(Br)cc2F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963087704 BDWMGDYQXBTOSM-LRHLLKFHSA-N 685.431 8.530 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 963160148 IAUYYFMBGZYSTM-RYWJPUDZSA-N 722.500 7.341 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CBr)c1ccc2ccc3cccc4ccc1c2c34 963636730 RVHRAFBUFSXBBN-ADKRDUOOSA-N 500.436 6.774 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCCCl)c3cccc(F)c3)nc(Cl)nc21 963914273 GPBLFPUFBHWDAM-SANMLTNESA-N 514.432 6.231 50 1 KKGF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C/C(=N\NC(=O)Nc4ccc(Cl)cc4)[C@@]32C)O[C@]12CC[C@@H](C)CO2 1857754849 IOVMQTHGCDBAEC-PNMLXUFBSA-N 598.228 7.235 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)CSSCCC[C@@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@H](N[C@@H]1CCC[C@H](Cc3ccccc3)C1)CSSC2 2356301288 UCSMOKLOOZOHLG-DSRAZHADSA-N 944.316 11.118 50 1 KKGF CC(=CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356544271 JJTXYVOUNQSSNW-SJNBKWIWSA-N 587.636 5.989 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O 2356545628 LWGJGVMYMKRTML-XHJHLLAHSA-N 682.857 6.595 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)c(O)c(OC)c1O 2356573505 PNBOSJWNLLRRDV-VQMCRUIOSA-N 652.831 7.448 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@H](NC1CCCCC1)CSSC2 2356602601 GEFOEAVVPZSQDR-QDEWFUNUSA-N 854.191 9.649 50 1 KKGF CCCCC=CCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356627545 MPHZATYEHALXRU-WFSSXJPUSA-N 683.071 11.640 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](OCNCCc1cccc(O)c1)CC(=O)CC2 2356713014 VRSWPWYYYXPLHI-IHLOFXLRSA-N 663.858 6.735 50 1 KKGF CCCCC[C@@H]1[C@H]2CC(=O)N1Cc1cc(cc(OC)c1O)CC[C@H](OC(C)=O)C[C@H](O)CCCCCCSSC[C@@H](NC(=N)N)C2 2356727277 LTEXJOXQAWZFCM-AAIYONIQSA-N 680.978 5.901 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)cc(Cc2cccc(O)c2)c1O 2356768628 PNUSVXASWCPECT-YPJRKKGSSA-N 790.956 9.078 50 1 KKGF C=C(C=CC=C(CO[C@H](CO)CCCCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356774745 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10.173 50 1 KKGF in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)[C@H]2CCC(C)C 150348729 WMYXMRAGLZGPFE-WDTCGJHUSA-N 735.070 7.080 50 1 KKGF biogenic,in-vitro 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](OC(=O)[C@H](OC(=O)OCCl)[C@@H](NC(=O)c3ccccc3)c3ccccc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l)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 299828687 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CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587686746 XCXNSYZFDPGXAD-OYQFOETPSA-N 681.039 6.679 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2\NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 587859458 WVGAGBVRKIJPNR-XTYBJSRGSA-N 548.953 6.686 50 1 KKGF C/C(NNC(=O)COc1ccc(Cl)cc1C)=C1\C(=O)c2ccccc2[C@]12c1ccsc1CCN2Cc1cccn1C 962401903 XQCSNLFBBSSIQO-AYKFIEGGSA-N 587.145 5.520 50 1 KKGF CC(C)c1nn(C)c2c1[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)NCC2 962918462 IXXALEPMXYIYPD-DEOSSOPVSA-N 548.856 5.008 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CBr)(c2ccc(Br)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963042310 RKAAJJKESLTZMT-WXGMZPBLSA-N 701.333 7.765 50 1 KKGF COc1cccc2cc3c(nc12)[C@]1(NCC3)C(Br)=CC2=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC2=C1Br 963061778 XWYYMSIGWRERKR-XIFFEERXSA-N 889.214 9.041 50 1 KKGF Cc1cc([C@]2(CCCCCCCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1F 963180324 PWCVBNNFWCNKGY-GGAORHGYSA-N 506.367 6.838 50 1 KKGF 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HKBWFRBRBGEOPF-HCAOAXFJSA-N 570.362 6.724 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@H]([C@@H](C)Cc4ccccc4)C#C[C@@H]3C=C12 2356861993 UVVBSFOHJYQLDR-BXLGLOALSA-N 894.257 7.804 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@]1(CN3C=CNC3)CCNc3ncc2cc31 2356874646 YXPGSBJRZKZRBP-WKHBUYDYSA-N 618.825 5.954 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC 73369812 JXLIAWMDERFVAR-FQEVSTJZSA-O 633.125 6.344 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O 95543301 WUXSSALNWBMRKU-DMSZPBELSA-N 759.244 5.332 50 1 KKGF COP(=O)(OCCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)OCCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 95615090 ZHZPDGUTMFHJOS-IIDIQLQXSA-N 728.857 7.836 50 1 KKGF CCN(CC)Cc1cc(N[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@]2(C)Br)[C@]53OO4)ccc1O 103295475 FECQSDBUOODKIM-SGMRLDMLSA-N 539.511 5.371 50 1 KKGF CC(C)(C)[Si](C)(C)Oc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4ccccc4)ccc32)cc1 170084170 ULYGADBUPXIMGK-DEOSSOPVSA-N 606.817 6.032 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CSCCCSC[C@@H]3C(=O)O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253648199 WQOWZDQPDRPHPB-VMJOMTHWSA-N 668.871 5.620 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@H](CO)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 253689767 PIHGTXTYUJXWMZ-XRDNJDHASA-N 606.797 5.876 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Cl)CCl)[nH]c3cc21 587009124 WMRLRSBQMVMOPZ-FQEVSTJZSA-N 553.354 5.500 50 1 KKGF Cc1nn(C)c2sc(C(=O)N[C@@H](C)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc12 587037620 KWLQIOMBLKDZGW-QMMMGPOBSA-N 544.369 6.730 50 1 KKGF Cc1onc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1COc1ccccc1Cl 587063804 XZORXSNHHYIMDA-UHFFFAOYSA-N 544.727 8.179 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1 587327060 OFTFLPUBRNFZFI-VEEOACQBSA-N 518.028 7.555 50 1 KKGF C[C@]1(c2ccc(NC(=O)CI)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339008 QYDWIDCCEJITAZ-ISKFKSNPSA-N 531.321 5.179 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(N=Nc2ccccc2)cc1 587537878 LJJRLACKJSHMBX-IGKIAQTJSA-N 515.363 7.060 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539523 WTSUGPWMRWFNBN-NAKRPHOHSA-N 564.819 6.284 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 587721567 PLGAKUVWUFGCFN-RBHXEPJQSA-N 500.008 6.207 50 1 KKGF O=C(NCCCCCCSSCCCCCCNC(=O)c1cc(-c2cccnc2)[nH]n1)c1cc(-c2cccnc2)[nH]n1 653688543 OCJGLIHOKHKEKS-UHFFFAOYSA-N 606.822 5.919 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@]2(CCC3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962632567 LLDOUXLVRAVDQV-KYPJSTPHSA-N 564.733 7.383 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030385 QRYSTYMPNOXLFO-FSEMWLHASA-N 536.226 6.333 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963171334 JKJIODIQGYRQHL-CMTIAEDTSA-N 586.920 7.814 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)C[C@@]23c2cc(O)ccc2C[C@@H](C(=O)O)N3C(=O)[C@@H](N)Cc2ccccc2)N1 963663495 AQPPRNYSHYFWAJ-PRFSWFMNSA-N 616.762 5.563 50 1 KKGF C(=C/c1ccc(OCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1 1857538518 LUOTXSWNUKDJRN-CYYJNZCTSA-N 555.722 9.180 50 1 KKGF CCN1CCN(Cc2csc(-c3ccc4c(c3)c(C(=O)N/N=C(\C)c3ccc(F)cc3)cn4CC)n2)CC1 1911576396 CCLMJJOBBKWCNJ-UZWMFBFFSA-N 532.689 5.215 50 1 KKGF O=C(COc1ccc(N2C(=O)CS[C@H]2c2ccc(Cl)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911578327 OZNRKEHJWAXZPN-JNJSFVDUSA-N 655.180 5.356 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@H]2NC(=N)N[C@@H]1CCCc2ccc3cocc3c2C1 2356356693 CRLGRWOARSOLAO-KXFBQCJSSA-N 887.314 9.053 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(CCCC(C)C)[C@H]3CC[C@]21C 2356360286 CJQWRPGNFCIOCL-MTCGEGBOSA-N 715.079 7.416 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1ccccc1 2356360473 GVLLLPMUJRUAKT-NMVZOYQISA-N 666.010 7.053 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4[C@H](CNC)[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]21C 2356372443 FJFLLHSGIKYSBZ-QQHVNIKCSA-N 688.013 5.055 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356376759 WTRNMVUURKYVLV-SJHNGHJWSA-N 795.118 6.863 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H]4c5cc(ccc5CO)[C@H](CO)SSC[C@@H](CC5=C6C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]62CC5=O)C[C@]31NC(=N)NC[C@@H]41 2356710349 AUMUMUAOLRSZOO-YGDBSHLISA-N 774.153 6.200 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@@H]3C[C@@]2(C)[C@@H](Br)CC1 2356756601 SXQYDZYKXZHMKD-ZDLRPUJNSA-N 570.362 6.855 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC5(CCCC5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356770582 CAJMJCFFFCRUFB-QUPYXARFSA-N 902.182 5.577 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c2c1CSSC[C@@H]1CN[C@H](N)c3ccc4c(c31)Cc1c[nH]c3cn(cc13)[C@@H](CC#C[C@H]4O)O2 2356778052 KYNPMNGSCJRWTE-AFRMBAPJSA-N 714.954 6.656 50 1 KKGF COC(=O)c1ccc2c(c1)C[C@H]([C@]1(O)CC[C@@H]3[C@](C)(CC[C@@H](Br)[C@]3(C)CC=C(C)C)C1)O2 2356799288 UGLJQQPCFVYFSM-YTPAQXPZSA-N 505.493 6.234 50 1 KKGF CC(C)[Si](O[C@@H]1C(=O)N2[C@H]3N(S(=O)(=O)c4ccccc4)c4ccccc4[C@@]3(c3c[nH]c4ccccc34)C[C@@]2(O)C(=O)N1C)(C(C)C)C(C)C 206393963 ICOIUFFUGUQKCD-XTYVJNMGSA-N 700.934 5.900 50 3 KKGF Cc1cc(OCc2c(-c3c(Cl)cncc3Cl)noc2[C@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622148 FKTOPZIAKAZWDV-HNNXBMFYSA-N 570.860 8.088 50 1 KKGF CC1=C(CCCCCCCCCC[P+](c2ccccc2C)(c2ccccc2C)c2ccccc2C)C(=O)c2ccccc2C1=O 84617964 YZCGDUDCKLUQAQ-UHFFFAOYSA-N 615.818 9.812 50 1 KKGF NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](C/C=C\[C@H](O)[C@H](O)C3CCCCC3)C2)[C@@H]1CC(=O)O 85505478 JWTUSGUHHGLFRQ-GCTVITMZSA-N 708.043 7.588 50 1 KKGF biogenic,in-vitro C[C@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSSC[C@@H](C3)C[C@H]12 85543468 NDMKFIDVESFROG-YCSVXVOWSA-N 670.085 11.154 50 1 KKGF biogenic,in-vitro COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@H](C2)[N+](C)(CCl)CC3 238779369 YYCNCBZJRSGSGJ-WLSCIIQRSA-N 721.722 8.585 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(COC(=O)CCC(=O)O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253633392 LKGRAXYPFZAARJ-SIPLDVHOSA-N 722.869 5.407 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 299823001 JFZPAVVJZJMWAJ-UUKRNIFRSA-N 666.716 7.777 50 1 KKGF COC(=O)c1ccc2c(c1)c(NCCCNC(=O)CCC(=O)O[C@@H]1O[C@@H]3O[C@@]4(C)CC[C@H]5CCC[C@@H]([C@H]1C)[C@]53OO4)c1c3ccccc3nc-1n2C 473126596 UIWREVUWZDGDLJ-VFEWXBGZSA-N 714.816 5.822 50 1 KKGF CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)CC1 586956171 YECCZSQTHVLDBT-UHFFFAOYSA-N 610.469 5.296 50 1 KKGF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587072294 QLWCBGLAFAHWCM-MLCDBFSUSA-N 562.229 9.656 50 1 KKGF CCCCCCCCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br 587189455 BZKUCRUJWJWFFW-AHSZPBLHSA-N 768.878 10.097 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 587322518 MXLHBNOKMLRAOA-BDYUSTAISA-N 510.403 6.171 50 1 KKGF O=C1C[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)Oc2c1ccc1c2CCCC1 587500160 QYRBPRUWIUVAAI-HHHXNRCGSA-N 522.395 6.308 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1oc2ccccc2c1CBr 587537538 HGQLSAGFXGWUIV-IRPSRAIASA-N 527.370 6.939 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 587670993 NGYFWWPJKDJPMF-RSXSOOJNSA-N 550.060 5.367 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587688670 MZBRZJNPEWXCCX-CXAHNHKCSA-N 500.839 6.473 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5C[C@H]6OC(C)(C)O[C@@]6(C(=O)CCl)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 587717101 KMWMUUXUAJUMTN-QAADJXIZSA-N 669.047 6.652 50 1 KKGF COc1ccc(Cl)cc1C#Cc1cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc2c(Br)c1O 587919022 PFOJMIGEBNYPKV-UHFFFAOYSA-N 790.667 9.052 50 1 KKGF COc1cc(/C=C2\CCC/C(=C\c3ccc(OCCCBr)c(OC)c3)C2=O)ccc1OCCCBr 653755675 QMNHBOSUUMBRLX-LKNRODPVSA-N 608.367 7.251 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1scc(Br)c1Br 961779657 USORFRVXSFHRHW-QFIPXVFZSA-N 621.233 7.063 50 1 KKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc3ccccc23)(c2cn(CCCCCBr)c3ccccc23)N1 962949600 PYXLECNQTHZQQV-SXZDHJFLSA-N 590.609 9.057 50 1 KKGF CCOC(=O)c1ccccc1[C@@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962957440 NALSBWZXPJDASC-HSZRJFAPSA-N 512.366 5.172 50 1 KKGF CC1(C)CC(=O)[C@@H](Br)[C@@]2(C1)c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963084765 GZEQFWPXILUMDZ-POTGHWNKSA-N 608.576 7.338 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(C(C)(C)CC)N1C(C)=O 963328397 FPKIEIYFTNTYKI-DRVYDUGISA-N 702.226 5.360 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCCl)(c2ccc(F)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381141 QCYBAOOBUZBVPV-VBTAUBHQSA-N 604.049 6.892 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(CS(=O)(=O)c2ccc(C)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937923 IGUSAPSZMZEABJ-IXXJQHIXSA-N 750.803 5.196 50 1 KKGF N[P@@](=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl 1772631517 AXVWVFHQMYQWLK-USYZEHPZSA-N 684.920 7.294 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(O)c(O)c4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(O)c(O)c4)cc23)cc1 1857629108 RSJPTTNQXTZMKP-DMMXZFMDSA-N 692.732 6.488 50 1 KKGF CC(C)Cc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356363721 OURSFHMMLGSNOJ-CDRQKEPQSA-N 684.025 6.041 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]3CC[C@H](O)Cc4cccc(c4)[C@H]4CSSCc5ccc6c(c5CC(=O)C(C)=C3CC[C@]2(C)O)[C@H](NC[C@H](O)C4)C(=O)N[C@H]6N)[C@@H]1O)CCC=C(C)C 2356496908 RTFILKXMHHYTET-VIGNSQAQSA-N 926.299 7.655 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)Oc3ccccc3)[C@H]12 2356651989 KOWXKUDNHFDQSD-JUWMFHMISA-N 558.759 7.644 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H]5CC[C@@H](O)CSSCCC[C@@H]5O)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356753828 JHNJJKNMMLXZBT-BESSAKRQSA-N 786.072 7.946 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356824151 GSZJLLQQHIZLCM-AVBZSTJOSA-N 861.140 5.405 50 1 KKGF Nc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 5582387 ARHBFRMLLOEANX-LJQANCHMSA-N 535.003 6.885 50 1 KKGF O=C1[C@H](Cl)[C@]2(CC(/C=C/c3ccccc3Cl)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009718 YHXJVMSHLXOLLX-YCPOJYAPSA-N 585.494 5.826 50 1 KKGF CO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@H]1c1cc(N/C(=N/[C@H](C)C(C)(C)C)NC#N)ccc1OC(F)F 38972187 XQBIVCAQJUZOIE-RHVFDXGSSA-N 500.550 5.333 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl 82181785 RXTOYKYVEKOFCF-SZPZYZBQSA-N 691.612 6.920 50 1 KKGF COC1=C(C)C(=O)O/C1=C1/OC2=CC[C@@H]3CSSC[C@H]4CCC5(CCCC5)[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 85532409 SAZWQMRMIIQBKF-QKXPRGCGSA-N 587.848 6.570 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@H](CC[C@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 85567793 PIUVILCNMLVVPT-XTCBNJEHSA-N 664.842 6.881 50 1 KKGF biogenic,in-vitro CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](CCOCNC[C@H](C)O)C1 85596922 JYRNJZUPXAMRMJ-CLCRPXKESA-N 800.101 6.005 50 1 KKGF biogenic,in-vitro CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 95545743 WVBXBQBNRBFSQX-BTSKBWHGSA-N 751.925 5.510 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H]3N[C@@H]4CCC[C@H](CSSC[C@@H]3O6)C4)C1)C2 150343202 JPVODEHOYIZATK-HBNBEKBJSA-N 884.133 8.962 50 1 KKGF biogenic,in-vitro COCCC[C@@H]1CCCC[C@]12CC#C[C@H]1/N=C(\N)N[C@H](C(C)C)CSSC[C@H]1[C@@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC4 150348323 LWZFDFVYXRCGRF-IUDJWLKISA-N 919.220 5.381 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)c3ccccc3C(=O)OCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297529 PJOKHVPJDBSIAV-KDQKNRJWSA-N 754.914 7.281 50 1 KKGF COc1cc(Nc2cc(C)nc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)cc(OC)c1OC 169352630 UJQQWRFIQJHQFF-UHFFFAOYSA-N 598.531 7.241 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(CO)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169366438 PIHGTXTYUJXWMZ-VCKZHFFXSA-N 606.797 5.876 50 1 KKGF CC(=O)O[C@H]1C(=O)[C@@]2(C)[C@@H]([C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@H]2O[Si](C)(C)C 299810419 WLFZGWHFSSYBPC-IAGYZVNHSA-N 926.101 5.595 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 299816700 MUQIOBLJHGULKS-LIOUCYBCSA-N 728.161 5.452 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)[nH]c2c1 586975586 GFVRCIJNWLLBBD-UHFFFAOYSA-N 551.766 8.749 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 587319792 OECBUSNQJLZWBU-KUVNJUCUSA-N 820.357 5.501 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587325306 DKMHOOYYOAUSMS-NEEKEDPPSA-N 587.007 5.476 50 1 KKGF CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587375530 UMZUJAVDYGUIFG-LWQYYNMXSA-N 618.170 8.249 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1scc(Br)c1Br)O2 587412475 ZFYIPZIESVSEJS-HNNXBMFYSA-N 510.045 5.419 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1oc2ccccc2c1CBr 587537537 HGQLSAGFXGWUIV-ABYGYWHVSA-N 527.370 6.939 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 587545531 RMCPMNNNSUUGFX-GGXMVOPNSA-N 522.428 6.803 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689743 VJYNXGPOBAOQSA-HVGVKYOCSA-N 550.727 6.770 50 1 KKGF [C-]#[N+][C@H](c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 587895836 JYBKDBCZIDBNBJ-SANMLTNESA-N 511.430 5.404 50 1 KKGF COc1ccc([C@@]2([C@@H](Br)c3ccccc3)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1F 962406441 SBFFNKKTXCZEPU-RSDZPJTLSA-N 693.569 7.870 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cccc(OC(F)(F)F)c1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674791 IKDDVGPSHBLYHL-RUZDIDTESA-N 636.358 7.097 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccc(Cl)cc1Cl)[C@@]1(CCC2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962694783 BLELFUMSVYFPHT-ZJCBTPCYSA-N 568.354 5.891 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CBr)c1ccc(O)cc1O 962998222 TVJZTBFIYPLBOA-HHHXNRCGSA-N 574.855 5.065 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](c2ccc(F)cc2F)([C@@H](C)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367147 MWGSJNZEKLAAQM-LWFUYEPLSA-N 648.500 7.046 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCOC(=O)c4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@@H]21 1772608768 DUHHCVCQAJOHFE-UUWRZZSWSA-N 663.646 6.726 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1Br 1857647528 DBVVTGXYBBKLMC-WUUFKGPNSA-N 644.607 6.652 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCCOC(=O)[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857769752 ZQOOUYDWSJNNOP-SUWUXCJNSA-N 664.789 5.252 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@@H]2[C@H]3CC[C@@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)[C@H]6C=C[C@@]8(CCC[C@@H]8C6)[C@@H]7CNC[C@@H](C)O)c5)cc4CO)C[C@H](C[C@H]2N)[C@@H]3CC[C@@H]1C 2356355128 BYOYATFDDOHPHP-GQSGYVEDSA-N 973.404 8.453 50 1 KKGF C=C(C=CC=C(CO[C@H](CO)CCCCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356358816 XRRICYWIGMOVLF-MFCGZAOPSA-N 887.256 7.255 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H](C(=C(C)C=O)CC[C@]2(C)O)[C@@H](CCO)CC[C@@]13O)CCC=C(C)C 2356422402 BOCRHDOORLNBLG-YYCPSNSJSA-N 512.731 5.360 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CCC[C@H]2CN(CCCOC)CC[C@@H]21)C3 2356494276 XSXWSLZPQXMXJY-GVMJAUFQSA-N 768.904 5.561 50 1 KKGF C=C(C=CC=C1[C@@H]2[C@H](CCC[C@H]1O)C[C@]1([C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O)[C@@H]2O)CCC=C(C)C 2356548796 FXONYYPUHYUIQH-GLYUIJDASA-N 526.758 5.749 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356841290 NGQAJNKLKGSRKW-GSNHQAJNSA-N 799.117 5.747 50 1 KKGF COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ncn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC 27643286 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COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC 587319081 ABZNUFAAGXIDBH-SQJMNOBHSA-N 517.347 5.206 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329999 ZIGZYEJLLQGSFP-TUJVHUEYSA-N 683.600 6.810 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2scc(Br)c2Br)[C@H]1c1ccc(F)cc1 587377882 SVHHUVFQIZKGBQ-JXFKEZNVSA-N 546.639 6.611 50 1 KKGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)[C@H](C)Cl)cc41)[C@@H](C2)C3=O 587419708 YESJZDBBFFNSBI-KPDLRTPNSA-N 508.357 5.150 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(CBr)cc1 587537251 CAJSFTPAWZIGOR-SIKLNZKXSA-N 504.174 5.539 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 587712999 RLPHCEKKKRXGNP-XLFHBGCDSA-N 549.122 6.799 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl)N[C@H](C)Cc1ccc(F)c(Br)c15 587717736 MGJACKSQQJEOIO-WQXZMWTCSA-N 624.994 5.904 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@H](C)Cc1ccc(F)c(Br)c13 587742484 RRGGZUODUFFBRS-LDWRXDHCSA-N 719.780 9.141 50 1 KKGF Cc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccc(Cl)cc12 587851206 BHCZADSKZKQRIM-WVDJIFEKSA-N 517.689 6.937 50 1 KKGF CC(C)[C@H]1CC[C@H](C)C[C@@H]1Oc1ccc(O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)n1-c1ccnc(CCl)n1 587939526 FEXONNPRPVLDJR-GVOYAPIASA-N 502.143 7.685 50 1 KKGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)/C=C/c1ccccc1F)[C@@H](C)[C@H](OC(=O)/C=C/c1ccccc1F)O[C@@H]4O3 653771367 CDSPLTDSVWHZRJ-KLEBSKBFSA-N 596.623 5.964 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CCCCl)(c2ccc(Cl)s2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962472404 GNBRVICYUOTBHP-OOWIMERYSA-N 593.532 7.320 50 1 KKGF O=CC1=COc2c(CCl)cc(Br)cc2[C@@]12c1cccc(F)c1CCN2[C@H]1CCSC1 962693044 BYZCZNMGWSCJEB-SBUREZEXSA-N 508.840 5.409 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)C(C(=O)O)=NN(c1cccc(Cl)c1)C(=O)[C@H]2I 963176892 UJPFHEYTCMMHPY-YWUCGUBVSA-N 812.064 6.107 50 1 KKGF COc1ccc2c(c1)[C@@H]([C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C)N(Cc1ccc(F)cc1)CC2 963305487 XYZWIJNXGQIEIB-BWNLSPMZSA-N 692.030 6.999 50 1 KKGF Cc1c(O)ccc2c1[C@@]1(C=CC[C@H]3[C@H](N(C)C)c4onc(OCc5ccccc5)c4C(=O)[C@]31O[Si](C)(C)C(C)(C)C)N[C@H](C(=O)O)C2 963509336 MJJQQLQNRMZFGD-HQOPZHPLSA-N 659.856 5.898 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1c(C)cc(C)c(C)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963727390 CLSVZAYPHZDQQH-YTTGMZPUSA-N 545.079 6.169 50 1 KKGF O=C(CBr)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(Oc5cccc(C(F)(F)F)c5)c(Cl)c4)c3cc21 1772626393 VCFABRFLWPSRSF-UHFFFAOYSA-N 637.796 6.684 50 1 KKGF C[C@H](CCC(=O)N[C@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 1857626855 UVECCUOFVSIRQV-UNYYKNMSSA-N 746.942 6.670 50 1 KKGF CCOC(=O)c1cc2ccc(OCCCCCn3cc(CNC(=O)CCCC[C@@H]4CCSS4)nn3)cc2oc1=O 1857744545 HDMAYLYHDNPDSV-HSZRJFAPSA-N 588.752 5.141 50 1 KKGF COc1ccccc1-n1cc(CN=c2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccc(NC(=O)CCl)cc3)[nH]2)nn1 1857752954 ROVLXPKFALEDLX-UHFFFAOYSA-N 583.867 5.042 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(F)cc4)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(F)cc4)cc23)cc1 1857766943 ZWFUXMSBSLLBGD-UHFFFAOYSA-N 758.880 7.679 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc(ccn1)C1(CCCC1)C[C@]1(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]1O 2356291754 DIILEFFIEXEBIV-MXIVJYFNSA-N 915.140 6.240 50 1 KKGF CNCc1ccc(CO)c([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC4(CCCCC4)[C@]34NC(=N)NC[C@H]24)c1 2356367614 GBKYHGURYHAHHU-VHBDRHLDSA-N 763.127 6.602 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC2(CCCC2)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356517525 MPPAHWJMGKOSKV-DLARCWTISA-N 892.330 8.506 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12CC[C@@H](C(=CC=CC(C)=CCC=C(C)C)CO)[C@@H]2O 2356589015 PBUFVTBEAOXKKG-GDCZSNKWSA-N 640.946 8.662 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)[C@@H]2CCC[C@@H]3[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC[C@H]4C[C@H]3[C@@]2(CO)[C@]14O 2356687542 SNLQGWGKELDCER-GTXCZYDCSA-N 967.397 5.971 50 1 KKGF CCC=C(C)C[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@]2(C[C@H](OC)[C@@H]1C)O[C@H]([C@H](C)[C@H](O)[C@H](C)C=CC=CC=O)[C@H](C)C[C@H]2O 2356743500 HIBXHLLAIDYISL-FMYYINRSSA-N 564.804 5.233 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356815025 CNUUQSXYBLYNQO-IJLCPRITSA-N 784.141 10.326 50 1 KKGF CCC1=C2C(=O)CC3=C4N=C(C(C)=C5N=C(C=C6N=C(C=C1N=C32)C(CC(C)C)=C6C=O)C([C@H](C)O)=C5C)[C@@H](C)[C@H]4CCC(=O)OC 2356817362 DKEMHTHVRWKIIY-AVCGJXAMSA-N 634.777 6.238 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(CCCO)C(=O)O[C@H]1C3 2356835989 KVZFKQRXEYLFNC-DCNLAHSLSA-N 824.982 5.360 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C[C@@H]([C@H]3CNC(=O)C34CCCCC4)C1)O2 2356875289 ZOFSTRGRYPQTRZ-PWHLMXRZSA-N 934.052 5.202 50 1 KKGF COC(=O)c1[nH]c2c(O)cc3c(c2c1C(=O)OC)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 3929853 HHXZPFISRQPVMM-QGZVFWFLSA-N 641.036 5.909 50 1 KKGF Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4s3)ccc2s1 26469556 KMGJHSHXYXAPMT-GOSISDBHSA-N 573.095 8.111 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ncc([N+](=O)[O-])n5CCO)c5ccccc5c43)[nH]c2c(OC)c1OC 27638008 XQNXYZVOXZQEPA-FQEVSTJZSA-N 679.086 5.175 50 1 KKGF O=C(NN(CCc1ccccc1)CCc1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28642464 AJMRGSKRUNIPTG-UHFFFAOYSA-N 529.728 7.135 50 1 KKGF CCOC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145600 LSUFEPKBPIBSRR-GQTDWIADSA-N 519.726 6.769 50 1 KKGF COc1ccccc1C1=CS/C(=C(\C#N)c2nc3cc(C(=O)O)ccc3[nH]2)N1c1ccc(Br)cc1 53276729 DNZARYLBSJNNSK-NCELDCMTSA-N 545.418 6.476 50 1 KKGF CC1(C)CC(=O)c2c(cc(SSc3cc4c(c(-c5ccc(Br)cc5)c3C#N)C(=O)CC(C)(C)C4)c(C#N)c2-c2ccc(Br)cc2)C1 95611185 ZKDKJRSAOAXOAN-UHFFFAOYSA-N 770.612 11.399 50 1 KKGF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(NC(=O)CBr)cc1)[C@@H](c1ccc(Cl)cc1)C2 100646724 VIJCKBVNOPJBOC-AZKZNFPZSA-N 519.867 5.026 50 1 KKGF COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc1OC 299824973 FFJRMBOOXNVNAI-MHZLTWQESA-N 540.616 6.051 50 1 KKGF Nc1c(Br)cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br 587321369 JESBPARLLHZFLB-UGKGYDQZSA-N 600.076 6.288 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587536564 WOBRKTSAGMRYDS-JJVXONKQSA-N 576.202 8.136 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(C(F)(F)F)c1F 587543499 CHTLRJNNTLJKFG-LAUBAEHRSA-N 515.228 5.941 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687029 YMWODVZQQHXLII-NKNQFRNOSA-N 511.863 5.898 50 1 KKGF COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587690124 ZHUTXEJQTXAITP-WIDSHULWSA-N 532.837 5.874 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c(I)c1 587894937 IJOFZSMRXKMTKW-UHFFFAOYSA-N 537.022 5.203 50 1 KKGF O=C(c1ccc(Br)cc1)[C@H](Br)[C@@]1(c2ccc(Br)cc2)NCCc2cccc(-c3ccccc3)c21 962669858 PHOGIUHRQXBMJE-VMPREFPWSA-N 640.213 7.914 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1-c1cc(Cl)ccc1Cl 962983029 YKARYYGLFKYCSD-JPYJTQIMSA-N 534.217 6.414 50 1 KKGF C[C@H](Cl)[C@@]1(c2ccc(NC(=O)C(C)(C)C)cc2)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963069265 SORBZOGNIWLCKS-QFIYRYHGSA-N 598.140 6.021 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@](CBr)(c2ncc(C(F)(F)F)cc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963184987 ATQBOHFOWNRLJL-OUTSHDOLSA-N 661.858 7.246 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2ccc3ccccc3c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963354418 XNFPGDSIVVDCLI-UNVMMQEESA-N 648.553 7.533 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1ccc2c(c1)OC(F)(F)O2 963915331 MDRRFBMFADPOMF-OSPHWJPCSA-N 554.384 5.592 50 1 KKGF Cc1cc([C@@]2(CCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)c(C)n1[C@H](C)c1ccccc1 963927800 FQPYRIFRVOLKRW-KTBRYMIGSA-N 589.571 7.339 50 1 KKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1ccc(OC)c(OC)c1OC 1772632159 RITCHRKWLQWSMT-KLPHOBTLSA-N 554.966 5.356 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@@H](F)Cl)cc1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3ccccc23)n1 1911575073 DBXRFVZKVDDCDS-XMMPIXPASA-N 594.013 5.867 50 1 KKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCCNC(=O)c1ccc(CCl)c([N+](=O)[O-])c1 2178320257 UCOUGXOJHNGDGZ-KUBAVDMBSA-N 569.142 8.085 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C[C@]2(O)[C@H](O)[C@H](Oc3cccc4c3C(=O)[C@@]3(CSSCNc5cc1ccn5)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]3C4=O)O[C@@H](CO)[C@H]2O 2356306488 NUEAQUXIUHVQIT-GHUIIEFTSA-N 925.135 6.161 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)C 2356351007 NWZYHZAJIPSIEC-UGTULSODSA-N 579.822 5.116 50 1 KKGF C=C(C=CC=C(COCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356360511 HKWUNYJIRFIFHL-ZGSHPEBSSA-N 813.133 6.480 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@H]4[C@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356400642 FKAWGRZMQNXGSM-KJYNHAJMSA-N 731.132 5.917 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356432154 QUTKAUZBPOXOME-GBZAMHAISA-N 698.989 5.565 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)CCCC13CCCC3)CC[C@H](O)CC(=O)CC2 2356450481 WFILRGLFQMGLLF-YFDQDOSMSA-N 871.179 6.398 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SS[C@H]5CCC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)C5)c(O)c(OC)c1O 2356614232 MASSNJHOOAPKHV-FIJJIDPFSA-N 738.921 6.661 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]2([C@@H](C)O)C#C[C@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@@H](CCN4)Oc2cc(c(C(O)O)cc2O)C[C@@H]31 2356669016 JZPXAVBQURODFY-AFIQEJFZSA-N 900.262 5.555 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356673039 GBRNLMZUGJLBJN-DITVUMPESA-N 931.227 8.593 50 1 KKGF CNCc1ccc(CO)c([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@H](CO)C5)c1 2356716242 HNNIKRJKJLQIAQ-ZWKHUHDHSA-N 697.024 5.265 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H]1CC=C[C@@H](C1)SSC[C@@H]3[C@@H](O)[C@@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 2356768145 MAJCRYUUKDOHHU-IOGXIIDSSA-N 706.923 8.640 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1C[C@]1(C)[C@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 2356802072 QZZQNCKNLQOAHT-ADTFMVTCSA-N 570.362 6.377 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356847860 PACIRBUXMITRHL-DJUBLJSXSA-N 931.323 8.711 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)CSSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356871460 YBGMGVBVSRDZFV-QJVDUGBLSA-N 768.014 7.138 50 1 KKGF O=C(CP(c1ccccc1)c1ccccc1)c1cccc(C(=O)CP(c2ccccc2)c2ccccc2)c1 1637765 NQDNXPDXZIAHJT-UHFFFAOYSA-N 530.544 6.318 50 1 KKGF COC(=O)[C@@]1(C)CCC[C@]2(C)C(CCc3ccc4c(OC)ccc(OC)c4c3)=C(OOC(C)(C)C)CC[C@@H]12 43574869 AGANPSLSHRSVKK-ADVLSPMASA-N 524.698 7.570 50 1 KKGF CCO[P@@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2C(O)=NC(=O)[C@@H]12 44305304 AEPDAJFVQYCZAC-SPKQOXKTSA-N 605.754 6.114 50 1 KKGF C[C@H](NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O)SS[C@H](C)NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 150538546 RWWKDFOKWIRTOJ-QWWZWVQMSA-N 644.468 5.872 50 1 KKGF Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)C[C@@H](Br)[C@@H](Br)C4)cc2)cc1C 169718852 AFXZXHOLZDKWJA-OYRHEFFESA-N 577.269 5.171 50 1 KKGF CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)C(C)C)C(N)=O 195353007 YOISDXAVGVRXOR-WUJBDFOISA-N 731.181 6.864 50 1 KKGF CCCCCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)NC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 195449455 FWZJIRBSUDTMQZ-VBHAUSMQSA-N 679.028 6.135 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C23CC3)cc1 223915351 RDUZFLCPJTYRTN-VWLOTQADSA-N 524.461 6.061 50 1 KKGF COc1ccc(O)c(/C=N/NC(=O)c2ccc3c4c(ccc3c2)N2Cc3c(ccc5cc(C(=O)N/N=C/c6cc(OC)ccc6O)ccc35)N(C4)C2)c1 299869362 UMYNZOGAFGTDDD-GAAYKLLRSA-N 706.759 6.247 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587326329 KVMNNSKCAPHPQY-FIBWVYCGSA-N 527.935 5.556 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 587329805 MBYAJKYGCIEADQ-BBRMVZONSA-N 548.071 5.943 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 587337738 OQEXDFGBQQIXNX-UNMCSNQZSA-N 508.714 5.629 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(OC)c(OC)cc1Br)CC2=O 587456143 LBKDATANDFZOFW-OAQYLSRUSA-N 514.210 5.380 50 1 KKGF COc1ccc(Br)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674362 WIIVEYTWNHYVGI-YPMLDQLKSA-N 522.050 5.532 50 1 KKGF O=C(O)c1ccccc1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963005363 HXIDSUNNARKEML-AJTFRIOCSA-N 567.823 5.310 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCC3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041999 PVSZWSKEGKHGNE-YYFXGUOYSA-N 614.088 7.586 50 1 KKGF C[C@]1([C@@H](Br)Cc2c(F)cccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963104574 UUDFIDRQCQBIAL-VUNSNMIUSA-N 652.579 8.490 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCCl)(c1ccc(F)c(F)c1)N(C(=O)c1ccccc1N)CC2 963145752 VLIYRYDGZGXKEG-NDEPHWFRSA-N 515.000 5.915 50 1 KKGF CN/C(SCc1ccc(F)cc1)=C(/C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963170423 AHYLBUXBWSDLHN-ROTJOWPQSA-N 744.214 8.180 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2ccc(N3CCOCC3)cc2)(C(Br)Br)N1 963197148 MTQBUABXSAXWAZ-IIBYNOLFSA-N 612.668 5.154 50 1 KKGF CC[C@H](C)[C@@H](c1nc(C(=O)OC)co1)n1cc(C[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C(C)C)C2)nn1 1857569413 KBJGSEURNATIHP-SRVLBJBBSA-N 532.802 6.693 50 1 KKGF O=C(CCl)Nc1ccc(-n2[nH]c(=NCCc3cn(-c4ccccc4)nn3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857752768 PBCUJRVCKAPUJK-UHFFFAOYSA-N 567.868 5.076 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@](O)(CO)[C@@H]1O 2356354318 YNUFDMWKAOUHJY-RLJLPQJKSA-N 934.271 6.136 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOC)C3)c2)N1 2356355576 GSZWBAPHWVGDJI-YHRABXMCSA-N 751.028 6.871 50 1 KKGF CNC[C@@H]1SS[C@@H]2CC[C@H]3[C@H](O[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)C[C@H]3OC(C)=O)[C@@H]2Cc2ccc(O)c(c2)O[C@H]2CCC[C@@]1(NC(=N)NC)C2 2356637945 LPEYOLMLNGPALC-ZZPOBQKVSA-N 822.063 6.006 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@@H](CC=CCCC2CCCCC2)CC[C@@H]1CCN 2356644332 BKMFVVWBAITYIA-UQKJETLHSA-N 696.076 9.231 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@H](O)[C@H]1O 2356732744 SLBUHAQMZGDGBR-BQTKLRPVSA-N 904.245 6.773 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1CC=C[C@H](C4=O)[C@@]512)NC(=N)NC[C@@H]3Cc1ccccc1 2356777987 JQOMZMIUZQBJNR-WDTJIBTMSA-N 577.860 5.763 50 1 KKGF O=C(CCCCCCC/C=C\CCCCCCCCI)N[C@@H](CO)Cc1ccc(O)cc1 28572668 YMPPPZWSACORQG-HPTGGSLYSA-N 557.557 6.864 50 1 KKGF COc1cc(/C=C/C(=O)N(CCc2c[nH]c3ccc(O)cc23)N(CCc2c[nH]c3ccc(O)cc23)C(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O 84670236 WJQPKODYGUUUHP-ACFHMISVSA-N 702.764 6.273 50 1 KKGF COc1cc(CC2([C@@H](C[C@H](OC(C)=O)[C@H]3CC[C@@H](O)[C@@H](NCCCC(C)C)CSSC[C@@](C)(O)CC3)OC(=O)[C@@]34CCCC[C@@H]3CCC(=O)N4)CCNCC2)ccc1O 85596708 YAFVXHXNMAMVOB-JVSSHJKKSA-N 864.225 6.464 50 1 KKGF biogenic,in-vitro CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(F)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 95545784 MJKHDLHLSJUEBD-GTKRZRNESA-N 769.915 5.649 50 1 KKGF CCN(CC)c1ccc2c(C)c(-c3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@@H](c4ccccc4)C5)cc3)c(=O)oc2c1 95559449 BHEQTSFNBDIQNL-HPMVVLTCSA-N 571.677 6.823 50 1 KKGF N#CC1=C(N)N(c2cc(F)ccc2F)C2=C(C(=O)CCC2)[C@@H]1c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96908481 UCFZHMLZJGAPIN-GDLZYMKVSA-N 579.994 7.135 50 1 KKGF CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)C[C@H](Br)P(=O)(O)O 146286552 JGCATLCTRCCGRP-FSDCKFOESA-N 513.450 6.217 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@H]3CC[C@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)cc(OC)c1O 150342943 BJYFBYIHRWOECL-MXWOTDLSSA-N 666.858 6.961 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@H]1O)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@@H](CO)CC3)CC(=O)CC2 150347685 NFMQEQRMKVOUOH-IULASDNPSA-N 903.173 7.280 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@H](CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)[C@H]2CCC(C)C 150348722 GUSRCACVHALBFZ-UQKIIEFGSA-N 789.162 8.392 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@@H]2[C@H](CSCCCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253687364 IYYRWMHGTXIFHA-VTHIIVRKSA-N 696.925 6.400 50 1 KKGF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586916709 NNUMJJIPLJTZKS-BFUOFWGJSA-N 511.310 7.199 50 1 KKGF Cc1nn(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1Br 586978821 JDWXWKBEWAZZKG-UHFFFAOYSA-N 510.124 6.607 50 1 KKGF O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 587202032 ASCHSCAYRCOWLJ-OAQYLSRUSA-N 634.421 8.084 50 1 KKGF Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 587328403 UFWBFLJIRLYOFO-PQHLKRTFSA-N 504.001 7.049 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C(Br)Br 587539295 VGEWALAGEBCUIY-UWJYYQICSA-N 569.043 6.128 50 1 KKGF CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587616085 AYWYBYAGRGZLJY-ZBWWXOROSA-N 602.152 7.713 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 587672253 FHTZFSKPKZTALG-VOIUYBSRSA-N 519.252 6.340 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 587672719 HLZHOUNCGCTVAB-BIBXISHDSA-N 514.620 6.069 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 587711240 IXFALWIMQBXSJX-XLFHBGCDSA-N 560.021 6.542 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 587712997 RLPHCEKKKRXGNP-HUTHGQBESA-N 549.122 6.799 50 1 KKGF CCN(CC)C(=O)[C@@H](Cl)[C@@]1(C)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962681734 XCZFEHPXIMMOQS-RCZVLFRGSA-N 526.983 5.112 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](CCCCCCl)(c1cccnc1Cl)N2C(=O)OC(C)(C)C 962709061 JUZGZTKFFUMHCG-IZLXSDGUSA-N 551.486 6.568 50 1 KKGF COC(=O)/C(C#N)=C\c1ccc(OC)c(OC/C=C/COC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c1 1857598295 NYQOOBJHFMGDLR-BWBRCXJJSA-N 735.918 8.880 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@@]3(C)O[C@H]([C@@]4(C)CC[C@@H]([C@@](C)(O)C[C@H](Cl)[C@@H]5OC5(C)C)O4)CC[C@@H]3O2)CC[C@H]1Br 2356328886 LAGSZTCWDHVZKN-DJNZJGJLSA-N 622.081 6.447 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@]5(O)C2(CCCC2)[C@](CO)(NC(=N)N)CSSC3)O1 2356345734 ZHLWYAMGNIPKON-YHIJNABESA-N 764.967 5.549 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356362212 CRDTWDVBXHKDJW-GEEFZFPSSA-N 927.321 8.239 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356364541 YFAAPHSWUTXVSI-KEXPFQKTSA-N 571.849 6.072 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@@H](O)CC2CCCCC2)CC[C@H]1CCN 2356389018 CQMZXTAALLNZIA-QCYREOFFSA-N 712.075 8.202 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]([C@@H]1C[C@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC21CCCCC1 2356469412 MCRMZNCCXDVDOM-DMZFYGFYSA-N 821.075 7.732 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356597763 UBQWRSUQFVDQJA-OOSGEOQLSA-N 531.832 5.833 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356630226 HFEAIECGYWDNDL-NNGCFSMOSA-N 927.277 6.596 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356637871 IPELHZQWLAFYOX-JGMHUNNKSA-N 940.371 7.304 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356738868 FHHBLXAUCHDWCM-HJMLBIPSSA-N 873.185 5.202 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@]2(O1)O[C@H]([C@]1(C)CC[C@@H](Br)C(C)(C)O1)CC[C@]2(C)O 2356799489 UMYRCGIBKPWTMV-AGKSPRKRSA-N 603.635 5.309 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CC[C@@H](C[C@H](NC[C@H](C)O)C4)[C@H]3O)C=C12 2356845806 OHTUFWHVFZAGPO-NRLWYXSKSA-N 903.265 5.674 50 1 KKGF C=C/C=C\CC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CC/C=C(C)/C(C)=C/C=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@@]1(C)O 257456654 JPBOABGEVHVPNM-QZFVFMEFSA-N 656.901 6.476 50 3 KKGF O=C(CCNCCSSCCNCCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 66251087 XLWFCESKFBVFJU-UHFFFAOYSA-N 574.404 5.618 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSC7(CCCCC7)C5=C(c5cnc[cH-]5)C6)[C@H]4[C@H]2O)O3)c1O 150342804 MLKNXFSNVXNTBW-URDMVCCISA-N 1015.370 11.117 50 1 KKGF biogenic,in-vitro O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586975 ATOREEIPCPXFIJ-ZFEZZJPFSA-N 746.876 9.190 50 1 KKGF C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(C2=C=CCS2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)C 263620383 DXIOFNJEWRZYDH-FCSANXPSSA-N 760.014 5.459 50 1 KKGF in-vitro Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054682 HRNKUJWVBSGXOP-VGOFMYFVSA-N 504.190 7.243 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C\c3ccc(C)cc3)[nH]c21 587188759 WFQUGIHUBBDLMO-QOMWVZHYSA-N 623.757 8.196 50 1 KKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1OC 587319077 ABZNUFAAGXIDBH-OFVILXPXSA-N 517.347 5.206 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 587320485 AOECVCVBWPPSEY-IAPPQJPRSA-N 554.843 7.195 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587360025 KTISXTPLYHKCKZ-RSXGOPAZSA-N 562.457 5.211 50 1 KKGF O=C1C[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505464 IUCVHSGFFRCTEL-IEUSDUHPSA-N 576.275 7.604 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CCl)cc(Br)cc2c1=O 587539579 FIUFBZPSOPIBLG-CYFREDJKSA-N 513.727 5.703 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587557785 TWXNXPPYPTXUNP-BLFKVHCISA-N 691.192 7.239 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670190 IOGYAMCWQPOPII-YPCHGGDPSA-N 519.252 6.942 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 587846399 DJBCEZBLQAQMSH-GDJIYFAZSA-N 504.383 5.970 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587859610 XQLXRDNZEKWDHG-WZQKQDCOSA-N 547.921 6.532 50 1 KKGF CC(C)CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653700294 SZNSIIPMURUJQY-OAQYLSRUSA-N 568.914 6.087 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962667659 NWBCMLWZPSGHFS-LXLYTFERSA-N 557.488 5.840 50 1 KKGF CCOC(=O)c1c(C)noc1[C@]1(CBr)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962681719 WWYFCNCHIPWJIB-SANMLTNESA-N 611.411 5.533 50 1 KKGF C=CCC[C@]1(CBr)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962681887 XFJUZITXXYEDLA-QHCPKHFHSA-N 512.366 5.978 50 1 KKGF CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1OC(CO)=C[C@@]21c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963013099 HYZKHSPTDRWHNW-MYXAFQNISA-N 665.102 5.193 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](c2cccc(Cl)c2)([C@@H](C)Cl)N1C(C)=O 963329819 UXUDLUYTQNSAJG-YRBHHZHLSA-N 756.661 6.014 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963354386 XETRJPVMBJNJCD-YFXFWNCGSA-N 743.481 9.235 50 1 KKGF Cc1cccc2c1[C@]1(C=C(CO)OC3=C1OC(N)=C(C#N)[C@@H]3c1ccc(C(C)(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963855114 RVAOEHWJJUVXHK-ZSYNUDSESA-N 627.738 5.750 50 1 KKGF CCOc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1Cl 1772596235 MZDVIZYAUCQACG-QHCPKHFHSA-N 546.895 6.715 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@@]3(CNc3ccccc3F)CC[C@@H]2[C@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1857758902 LLEAZBKOGJHNDP-GCXCVHSYSA-N 740.001 7.589 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H]2C=C[C@@H](C[C@H](CC=C[C@H](O)CC3CCCCC3)[C@@H](Cc3cccc(CO)c3)CSSCc3ccccc3C2)[C@H]1CCN 2356313234 WVCCOTOSMLBBCR-DYXYFHLKSA-N 736.097 8.224 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(c3ccccc3)CCCC2)SSC1 2356321243 ADDZEYWFGPEXIB-ZWVRTZEQSA-N 630.876 8.265 50 1 KKGF CCCCCCCCCCCCCCCCOO[C@@H]1C(C)=C[C@@]23C[C@H](C)C[C@@H]4[C@H]([C@@H](C=C(CO)[C@H](O)[C@@]12O)C3=O)C4(C)C 2356353560 QOKNELXJVFYQBT-LPYFBGMVSA-N 602.897 7.643 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)[C@@H]2CCC[C@@](C)(O)[C@@H]2O3)O1 2356371371 YITVPYFPTNOIAE-ATICBKAYSA-N 597.664 5.655 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCC[C@H]3CC[C@@](OC(C)=O)(CC2)C[C@H]3O)CC1=O 2356383404 LTTFSUUUDZKCFH-DCSSDYIWSA-N 727.006 6.175 50 1 KKGF C=C(C)C(=O)CC[C@@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@@]2(C)CC[C@H]1Br 2356405666 AANFJCZWGKSABQ-YJUCRQDESA-N 519.476 5.715 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@](C)(O)CCCC(C)(C)OO)CC[C@@]23C)C1(C)C 2356448116 PCHIVLNSEKZZQK-DBKNFUQWSA-N 520.795 7.793 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@H](CCc1ccccc1)CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@@H](CO4)C3)CC[C@@H](O)CC(=O)CC2 2356605984 YDNBBZWIYBSGKW-PSZBACIOSA-N 851.148 6.598 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOC4CCCCC4)C3)c2)N1 2356769548 HRCPUEHXNPZSSC-MBBPGATPSA-N 795.125 8.410 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356778954 IAHKUGQJSODANE-KCTXRIDTSA-N 882.291 7.163 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@H]1CO)N43 2356853705 RIPMBGNCPPOVEY-MEZFSIEVSA-N 709.971 5.983 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNC(=O)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49898275 AYMGUFSOFWBQGZ-SEPPJRJVSA-N 619.796 5.384 50 1 KKGF NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3ccccc3)[C@H](C/C=C\CCC3CCCCC3)C2)[C@@H]1CC(=O)O 85505565 XMIDDVAVRMYXNM-WBAGRZPQSA-N 646.019 10.154 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(CO)c1 85597390 PKHCRXHBYNOQAD-JQMWFGOGSA-N 647.859 7.679 50 1 KKGF biogenic,in-vitro CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCc4cn(CCCC[P@](=O)(F)OC)nn4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 95538157 MDVAJVZQHDPYHR-NLXJDERGSA-O 791.885 5.769 50 1 KKGF CC(C)C[C@H](NC(=O)c1ccc(CO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CCc1ccccc1 95548007 UMUVMCKZUALSEQ-DKDCZLABSA-N 752.971 6.232 50 1 KKGF CC(=O)c1ccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2ccc(C(C)=O)cc2)OCCN2C(=O)c3ccccc3C2=O)cc1 95615008 KEQPAQMIEYXBKS-HVMBLDELSA-N 734.812 6.774 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@H]5/N=C(\N)N[C@@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@H](O)O4)CCCCC1)CC[C@@H](O)CC(=O)CC2 150348360 VKMUGRQEYBRBOD-NHWQBODNSA-N 831.114 5.408 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C(=O)C[C@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)[C@@H]2CCC(C)C 150348726 NJOQOVRXKKKSQC-APNDLAMVSA-N 759.092 7.333 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c3ccc(C(=O)O)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169366181 LZFFIZKRGIXYGQ-JJAZAGORSA-N 712.877 6.854 50 1 KKGF C#Cc1ccc(CNC(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@H]32)cc1 205091639 YAHJAESFRLNRDH-RZSQEPJQSA-N 591.865 7.543 50 1 KKGF C/C=C1/C[N@+]2(CCl)CC[C@@]34C(=O)c5cc6c(cc5O[C@@]35[C@@H]2C[C@@H]1[C@@H](C(=O)OC)N5c1ccccc14)N[C@@]12CC[C@]3(CC)CCC[N@+]1(CC[C@@]62O)C3 255271748 UNSVXWLMALKESW-LTAABKLVSA-O 713.319 5.537 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3cc21 587055822 NIBNCNJTELFEIG-TURZUDJPSA-N 771.749 10.602 50 1 KKGF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587107425 JZMPTQNFGVNBII-HNNXBMFYSA-N 521.455 6.765 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc4ncc(I)n4c3)nc2c1 587188757 WFPSKYARQDZZPL-UHFFFAOYSA-N 565.103 6.902 50 1 KKGF CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587227320 WXQAELCSCABFQO-SANMLTNESA-N 579.635 9.626 50 1 KKGF C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333844 NLVXHUVYTQYUOF-WPFOTENUSA-N 507.758 6.448 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)CC2=O 587463406 AAVZZPZOGZAEAA-VWLOTQADSA-N 507.936 6.750 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)c1 587684689 LMTGVSDZLGALFQ-PWFNWSNSSA-N 592.292 6.144 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587689509 TWWMXLOHRKUBFC-ZBSNKRKSSA-N 572.866 5.056 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 587717986 HFISIGCDPRDORM-DDNLTXGXSA-N 503.078 5.456 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 587730326 FHDQUDCILAQJCC-SXBQZSJRSA-N 501.802 6.892 50 1 KKGF CCCC[C@@H](CC)COc1cc(CC#Cc2cc(Cl)ccc2OC)c(OC)cc1CBr 587898806 QPUYYSIBVQGNPJ-LJQANCHMSA-N 507.896 7.442 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(C(F)(F)F)cc1 618017284 LYIKTORFFBBINI-MOPGFXCFSA-N 610.551 5.633 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1ccc(CBr)cc1 961751077 QWGXQKWTUNXKDX-VWLOTQADSA-N 550.335 6.371 50 1 KKGF CC(=O)Oc1ccc(C[C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963013263 QSHLBPPVUCYCIW-SVEHJYQDSA-N 551.426 5.575 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)c2ccc(F)cc2C[C@H]2CCCN21 963098025 PCZAVSWDNRRXFF-CRCYSPOISA-N 685.975 7.736 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1c(Cl)ccc(Br)c1F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963780586 ZUVKGYSTCUXRPC-MUUNZHRXSA-N 664.753 6.646 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356350632 GWJSDUXDZTYTMQ-BCMCHMKKSA-N 589.912 5.974 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356367846 JDUIXENUSQASED-KRVKMVJPSA-N 987.376 9.017 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356458269 JIJVGMZIRXFNTK-STURFTKVSA-N 885.240 7.213 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@H]3O)C=C[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356464630 QIAVPOYGBUSCFA-VLRMQBBCSA-N 873.058 9.571 50 1 KKGF C[C@@H]1CC=C[C@@](C)([C@H]2C[C@@H]3C[C@H](Cc4cc(O)cc(c4)[C@H]4CC[C@@H](N[C@@]5(C)CC[C@H]3SSC5)c3ccccc34)C2)C1 2356701147 VTDVUTFXOZHUIV-GIEGRGTASA-N 587.939 9.832 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 2356756703 DUAGAVSEANEZKB-ZGBZMILWSA-N 584.838 6.157 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@](O)(C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356803347 WZRJTKGOXQHWCZ-OOPGQEOZSA-N 603.635 5.309 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)C23CCCC3)CCCC1 2356819663 FDUMTQXSFXQREJ-RLWXKJCFSA-N 760.079 8.064 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(F)cc2)cnc2ccc(F)cc12 49757490 YEMGODCTNVVVSR-OYLSIEFHSA-N 547.631 5.328 50 1 KKGF COc1ccc(/C=N/NC(=O)c2cnc3c(C(F)(F)F)cccc3c2N[C@@H](CSc2ccccc2)CC(=O)N(C)C)c(F)c1 49762817 AWXBMLNNEKDNIQ-BZXMRDGZSA-N 627.664 6.216 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@@H]3CCl 82182206 OPQNJWHDOOQHIJ-FCHUYYIVSA-N 735.665 7.918 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CCCC(C)C 85544610 NNKZUSAFPLLGKI-HEFFUKJESA-N 599.897 6.366 50 1 KKGF biogenic,in-vitro CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SSCc1cc2cnc1N 85596471 UGFXGOJISJSBRT-ILVULKGUSA-N 510.681 5.691 50 1 KKGF biogenic,in-vitro C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(C34CC5CC(CC(C5)C3)C4)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 95601575 JVAFULKCWXLGCI-DJNNARQXSA-N 704.953 6.811 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C(=O)O[C@@H]1[C@H]3[C@H]1C=C[C@@H]4CC1 150345635 HAXOHYCMMYYSCQ-DVGFTQOTSA-O 844.008 6.676 50 1 KKGF biogenic,in-vitro CC1(C)Oc2ccc3cc(C(Br)Br)c(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 169361186 XVPZWHVQUMJAAP-VRWMSYLJSA-N 794.486 6.492 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 253666761 QHBVSZZSIUMZBD-CJDPUKSKSA-N 536.753 7.268 50 1 KKGF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)N2 587031729 PEMQASNJALCAKZ-CVSYOPMASA-N 575.448 8.110 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)CC2=O 587455843 GVNHPBTXYSJYJW-AREMUKBSSA-N 516.863 6.923 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(=O)(=O)CC)c(Cl)c1Cl)CC2=O 587488126 PGGDKCGRWZAUKL-NRFANRHFSA-N 536.271 5.701 50 1 KKGF COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CCCl)cc1 587619134 ZURHFZIKUSKSFW-UHFFFAOYSA-N 515.975 5.342 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc(F)ccc12 587634980 WYZAPFZMDCUVQD-TYPAUQCASA-N 616.101 6.217 50 1 KKGF Cc1cc(-n2c(O)ccc2O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)nn1Cc1ccccc1F 587944528 BLUBHLTVLRMCBZ-JZLYZKIDSA-N 553.631 5.462 50 1 KKGF CC1=CC(=O)[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587964513 AKTUZRGBMYMHRP-COZPLVFMSA-N 597.532 9.919 50 1 KKGF Cc1cc([C@@]2(CCCCCl)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)ccc1Br 961753776 YGLBWAKRSCDAFF-NDEPHWFRSA-N 547.965 7.562 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 962921331 GUPKQRPFFAOWMR-VWYPKUQYSA-N 573.989 5.181 50 1 KKGF CS(=O)(=O)c1ccc([C@]2(CSC#N)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963039393 NTXBSBNZWCNZSR-ANHUGMMASA-N 660.720 6.087 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1cc(C)c(C)cc1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808166 ONZAQDMMFJRDCO-HKBQPEDESA-N 531.052 5.860 50 1 KKGF C/C(=N/NC(=O)OC(C)(C)C)C(c1cn(Cc2ccccc2)c2ccccc12)c1cn(Cc2ccccc2)c2ccccc12 1772646584 UMLWJSKSWDJNNQ-NOACJBATSA-N 582.748 8.725 50 1 KKGF COc1ccccc1NC(=O)C[S@](=O)c1nc2cc(OC)c(OC)cc2c(=Nc2c(Cl)cc(/C=C/C#N)cc2Cl)[nH]1 1857553326 KHERGPJPAAYEGZ-SUALDLQJSA-N 612.495 5.411 50 1 KKGF C[C@@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857569581 QTUYQFWUJQTXQL-MRXNPFEDSA-N 533.359 7.150 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@]31CC[C@H]([C@H](O)[C@@H](O)C4)[C@@]15C 2356357236 QXOHGBWUEARJIL-CESIANGXSA-N 850.197 7.389 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 2356368354 KSNDLQXVZFSTBG-JUZAVLGPSA-N 843.026 5.601 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@@]34C)[C@H](O)CC1=C1CCCC2(CCCC2)C1 2356370831 UNQUAMKASISBPQ-IQSDICEISA-N 793.193 8.874 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356396925 ALBVIGFPGWYMFA-JJFPMQLVSA-N 808.214 7.747 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@H]4[C@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356541693 GYKGSNGFZDRSDD-BHBCLAAZSA-N 744.171 7.396 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12CC[C@@H](C(=CC=CC(C)=CCC=C(C)C)CO)[C@H]2O 2356589018 PBUFVTBEAOXKKG-ZOUSDNLXSA-N 640.946 8.662 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356650846 SYHWJNTYSOQCHD-RMVMTGSMSA-N 732.914 5.310 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(C)O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356750762 BTOQTBQYZOQAJA-MJBJIFAGSA-N 614.867 6.994 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CN[C@H](O)[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356818592 DUKRIICPEYRVKR-CSIKPAKCSA-N 955.121 5.291 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356831398 JOSPQESHBOXFTJ-UHUBQRDTSA-N 939.122 5.973 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@H](O)[C@@H](CC1)C[C@H](NC[C@@H](C)O)C2 2356833472 KGMDTIVNCKZRJK-DESWUIGJSA-N 875.211 5.038 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@@H](O)[C@@H]3C[C@@H]1CC[C@H](C3)C2 2356853654 RIEAKGDHUILAGS-VSRSJXISSA-N 802.116 6.018 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356855675 RDTMUXOWDLDPNA-MPSDFYQMSA-N 732.945 5.490 50 1 KKGF N#C/C=C/CNC(=O)CN1C(=O)[C@@H](COC(=O)Nc2ccc(Cl)cc2C(F)(F)F)N=C(c2ccccc2)c2ccccc21 42807611 SHXKEOQRJUQIDC-DGQXCUQSSA-N 609.992 5.356 50 1 KKGF COCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 43640879 BQRMSQJXAYZAON-DGMPTRKUSA-N 593.500 5.067 50 1 KKGF C=C(c1ccc(OCCOc2ccc(C(=C)[C@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 44305335 VBAAFVGBLHUYPO-ROJLCIKYSA-N 578.702 7.186 50 1 KKGF O=S(=O)(c1ccccc1)n1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc21 73294202 INSBXPYDBBWNIG-UHFFFAOYSA-N 532.625 6.372 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCCC[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253648176 WNTGRHJTKAHRDX-AJZBZACFSA-N 913.111 8.643 50 1 KKGF CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@H]2OC 299820308 KASDHRXLYQOAKZ-HNGTTXPHSA-N 810.466 5.719 50 1 KKGF CC[C@@]1(OC(=O)CCCSSCCCC(=O)OCCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 299827594 GPLHVHFMRPKLPR-KZLLPXHMSA-N 937.322 13.768 50 1 KKGF CC(C)(CCC[C@@](C)(OC(=O)CCl)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C)OC(=O)CCl 299828010 QHPAQYVVVUEVBN-BVLXKVINSA-N 631.722 7.275 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587319680 COINZOYEOSSYLH-DPZBCOQUSA-N 526.402 6.164 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(F)(F)F)cc1 587546246 IPGOZGLMJUTMFT-SHQCIBLASA-N 527.926 6.914 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)sc2n1 587854127 BNJGTZHSGAAPSR-IPQOISQHSA-N 510.860 5.790 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)CCl)n2)cc1 587921265 ZBLZRIGQVZLVCS-UHFFFAOYSA-N 507.442 6.644 50 1 KKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962630814 SWKFSWFEEZCQGS-ALKXEMMNSA-N 580.077 6.377 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccccc1OC)([C@H](Br)C(=O)c1ccccc1OC)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963731321 OUQGZDPBAQWWLA-BZFILIQBSA-N 697.582 6.360 50 1 KKGF O=C(NCCCN1CCN(c2ccc(Br)cc2)CC1)NN(Cc1ccc(F)cc1)c1ccccc1 1857541782 SEINGJRWPXTFAX-UHFFFAOYSA-N 540.481 5.021 50 1 KKGF C[C@](O)(CS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857558376 YTXJFJLBKSPXID-INIZCTEOSA-N 571.480 7.165 50 1 KKGF COC(C)(C)CC/C=C(/C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 1857771035 BHWDDQYYVCQRIZ-QRDNWPRJSA-N 627.734 8.734 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H]1NCCC[C@H]1SSC2 2356299606 FRZKNIMAHBPKKP-PRSMWMGYSA-N 992.316 10.986 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@@H](O)SSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356301279 TYAJKXMJIPCFRG-BTWUWCMESA-N 646.875 7.614 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N[C@H](C)O 2356351904 HQLOGJHLODEXRU-HHHXAVGBSA-N 951.398 6.854 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356356555 LIYNRKCILWEWFK-TVGINYORSA-N 886.227 7.698 50 1 KKGF CN[C@H](O[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(CO)c1 2356376740 WKXOHVVXPDMXMK-DFNFTQNPSA-N 663.858 6.650 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)C=C[C@@H](C)C(C)C)CC[C@H]4[C@]34CC[C@@]2(C1)OO4 2356388529 JBMMUQVRNSPMJR-HEMVOJJJSA-N 697.142 13.510 50 1 KKGF COC(=O)CCCC#C[C@@H](Br)[C@H](O)CCCCC=C(Br)C=CBr 2356497854 AYDCADNHQBXBAP-HZPDHXFCSA-N 515.080 5.205 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSSC3CCC2CC3)c1 2356504728 CSZLGNHMVQZRMO-GUAOPGNGSA-N 702.939 8.001 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C=O)C4CCCCC4)CC[C@@]3(C)O)[C@@H]2O)COCC#CCC(C)=CCC1 2356667219 UGSPJQXPMNTZJI-SNUVBLRXSA-N 590.845 6.942 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@H]3O)cc(Cc2cccc(O)c2)c1O 2356768627 PNUSVXASWCPECT-VMLHSYEASA-N 790.956 9.078 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSS[C@H]9CC%10=C[C@@H]2[C@@]1(C1=C3CNC(=C%101)N9)[C@H]4[C@@](O)([C@@H]6O)[C@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]7C8=O 2356853931 RKWXQVHUSHTXFY-IVJHIPAXSA-N 973.179 5.138 50 1 KKGF O=C(N/N=C/[C@H]1NN(c2ccc(F)cc2)[C@H]2[C@H](Cc3cccc4ccccc34)CCC[C@@H]12)c1ccccc1 26575355 IWRDBMLARBRACV-RZBWUKHISA-N 506.625 6.116 50 1 KKGF CSc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1SC 29397289 KSMWFTDPHCMULC-UHFFFAOYSA-N 623.080 7.691 50 1 KKGF C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 44351510 AFWWUKGJKAHHFG-QRRGNZNSSA-N 564.675 6.796 50 1 KKGF O=C(c1ccccc1F)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72178658 VFILXBBZXNJZNQ-QVIHXGFCSA-N 545.327 7.025 50 1 KKGF Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1 84635075 SINJYSIZCDFELE-RPPGKUMJSA-N 600.227 5.283 50 1 KKGF CNCc1cc(O)cc([C@@H](NC2CCCCC2)O[C@@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 85597343 UWXVNTWPOLELGP-SYUNDGOZSA-N 761.019 8.286 50 1 KKGF biogenic,in-vitro N#Cc1c(-c2ccc(Cl)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 96933479 HOPJNTAXNFGXMX-JWQCQUIFSA-N 510.384 6.512 50 1 KKGF C/C1=C\[C@H](C)CC[C@H](C(Cl)(Cl)Cl)OC(=O)C[C@@H]([C@@H]2C[C@H]2Cl)OC(=O)/C=C/[C@@H]2[C@@H]1CC=C1C(=O)NC[C@@]12C 142817722 DVSMDAZIABCDQH-DULMNHEISA-N 593.375 5.829 50 1 KKGF CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@@H](C[C@H](O)OC2CCCC2)C1 150347416 YFRNFMMGUABSCI-VLXVUQRISA-N 851.189 8.607 50 1 KKGF biogenic,in-vitro CC[C@H](C)[C@@H](NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)co1)C(C)C 150531170 MCIFJQSPRUYOHX-KITINDFRSA-N 927.876 6.072 50 1 KKGF COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(OC)nn4)cc3)cc2)nn1 150535658 BVXMPECDACKOQS-UHFFFAOYSA-N 830.952 6.189 50 1 KKGF O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 150627656 VUVSVKNIYLHYKZ-UHFFFAOYSA-N 826.912 8.473 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](I)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl 169315608 OTKDTYLPRBBZFX-RCEMTVSKSA-N 783.100 5.131 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 195186665 LTLNAIFGVAUBEJ-YHMQDMNOSA-N 826.475 6.085 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055214 LANYZSXBJOEEMJ-ZROIWOOFSA-N 554.197 8.123 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CBr)cc2)[C@H]1c1ccc(F)cc1 587324391 YIVBJCDQXLCOGP-XCZPVHLTSA-N 503.367 6.729 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2ccc([C@H](C)CC)cc12 587642309 MTPXYRQIXLLVDN-YITLEJEJSA-N 654.219 7.591 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cc([N+](=O)[O-])ccc12 587644931 RCRFCMIXXZSTQN-ZYDRBKRKSA-N 573.473 6.076 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587685287 PIAOKTJXMNVDNO-CRYYWNKWSA-N 511.866 7.246 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587689186 QQTWLQMIRJELCN-BOKWIEQBSA-N 592.889 5.891 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@]2(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N1 587718643 OILASBBHYKLUDY-CXELDPNNSA-N 624.994 5.904 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](NNC(=O)c2ccccc2)c2ccccc2)N1 587744931 DJQJFAXKUYHMHG-QTLOAYRYSA-N 544.468 6.042 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(N(C)C)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1 653804924 QQNSFNPPNQXLCW-GUBAARJWSA-N 614.722 6.651 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CCCCCCCl)(c2ccc(OC(F)(F)F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962410977 XZIFUVVRVBJHOV-ILFWFZRHSA-N 679.135 8.674 50 1 KKGF CCCC[C@H]1C(C#N)=C(C)NC2=C1[C@]1(CC(C)(C)C2)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962569209 JTCGCIIZOSTEJX-OCSFZBGKSA-N 642.800 7.819 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCl)(c1ccc(CNC(=O)C(C)(C)C)s1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962630652 PTVZTFJVWZRJPU-RBTNQOKQSA-N 563.116 5.342 50 1 KKGF O=C(c1ccccc1Cl)[C@H](Cl)[C@]1(c2ccccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962670076 PVGWSYSBVIQJPW-VMPREFPWSA-N 506.860 7.540 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2c(Cl)cccc2Cl)(C(Cl)Cl)N1C(=O)c1ccc(Cl)cc1 963012115 ILHILUULMPZVHY-IBVKSMDESA-N 582.698 7.327 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](c2cccs2)(C(Br)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963032071 BPTWIPFZFKRFJY-RNAHPLFWSA-N 689.372 7.646 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@]2(c3ccccc3C[C@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079261 JJDCNJIFQFOFJH-OJPOFZQJSA-N 766.581 8.206 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)c(Cl)c1Cl 963300428 FDPWVRCICOSMHM-SANMLTNESA-N 601.365 6.632 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5cccc(C#N)c5)CC[C@]4(C)[C@H]3CC[C@]12C 1772642199 ZIJNDLKLJYUTRL-WABKVRRRSA-N 582.745 5.844 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOC(=O)c4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@@H]21 1772656268 OGSDNILTOHKJDC-UUWRZZSWSA-N 647.647 7.490 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)C[C@@H]3C=C[C@H]4Cc5c(NCC(C)=O)c(CO)cc1c5[C@H]3[C@H]4CO)CC(=O)CC2 2356360477 GXKAYOGHRNCORJ-NJXJZXMGSA-N 953.233 8.178 50 1 KKGF COc1c(O)c(OCCC(C)C)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@H](O)[C@H]2O5 2356365986 XPFDXDVSOSRJAQ-VMRSXADTSA-N 762.987 7.450 50 1 KKGF C=C(C=CC=C(COCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356374021 MCWYMQVEUHEVIV-AVUOIZOCSA-N 829.132 5.798 50 1 KKGF C=C1C[C@@]23C[C@@]1(O[Si](C)(C)C)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(CC[C@@H]1O[Si](C)(C)C)[C@H]2[C@H]3C(=O)OC 2356375451 CZJKUGIUTGPWAY-AWNVBDKFSA-N 506.788 5.058 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1C[C@H]4CC[C@@H]6CCC[C@@]6(C4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356608496 QVTMLECYCPWKIE-JVLHOBCVSA-N 869.291 9.677 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356774309 VAFCTJSFDHSEEW-SQMKSXEZSA-N 657.936 6.583 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356779601 BOGRIYYVYGFVCR-HHKNKVPDSA-N 963.354 8.853 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](N=NN)[C@H](C)C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC 2356820265 CSHSIRBPBCUSNC-MMSFJIPFSA-N 788.273 9.800 50 1 KKGF CC[C@@H]1CN(C)[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3c(OC)ccc4c5c([nH]c34)[C@@]3(COOC)C[C@H]4C[C@H](CC)[C@H]3N(CC5)[C@H]4O)C[C@H]1[C@H]2C(=O)OC 2356855800 RTIJTVZCINEJBO-KHWVUNTLSA-N 724.943 6.292 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H](C2(c3ccccc3)CCCC2)SSC1 2356865378 WBSOPPUAHAQJRU-ADRJNJHWSA-N 632.892 7.265 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@H]1[C@H]3[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNC2=CC(=CCN2)[C@@H]1CN1C(=O)C=CC1=O 2356874723 YYPGCROZKYDYLW-ZOJIGTCESA-N 713.922 5.968 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CCC[C@@H](C[C@]45CCC[C@@H]5CNC)[C@H]3O)C=C12 2356876375 ZKAAFZQNHMSDLN-CSBFJBSISA-N 927.331 7.341 50 1 KKGF CCOC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(CCN3CCC(c4nc(COCC(F)(F)F)c(-c5ccc(F)cc5)o4)CC3)cc2)cc1 49626671 USKGGCRYIPGQFL-UHFFFAOYSA-N 711.713 6.625 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Br)cc1 49708387 XKJRJURWKRJAMT-IZLXSDGUSA-N 560.831 6.983 50 1 KKGF CC(=O)N[C@H]1CC[C@H]2[C@@H]3NC(=O)C=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 49898544 WZIZSRLOXZLVQF-VVTGJMFJSA-N 646.700 6.151 50 1 KKGF O=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1 84617315 UPXAXSGYORFMEQ-UHFFFAOYSA-N 602.657 7.815 50 1 KKGF C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@@]52CC4=O)N=C(N)NC[C@H]3Cc1ccccc1 85549458 HYSDATPFPIBJQV-PTYREUSWSA-N 581.892 6.312 50 1 KKGF biogenic,in-vitro C[C@]12CCSSC[C@@H](N=C(N)N)CCCC3=C4C[C@H]1CC1(CCCC1)[C@@H](CCCO)[C@@]42CC3=O 85549533 HJFBPUVERHAAJZ-IVCNXGPXSA-N 505.794 5.219 50 1 KKGF biogenic,in-vitro CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccccc1)C(=O)Nc1ccc(C)cc1-2 95614429 AKRZNPIBXGJSIK-LCINFKEOSA-N 507.254 6.870 50 1 KKGF COc1cc2c(cc1OC)/C(=C(/C=O)c1cc3c(cc1Cc1ccc(C[C@@H]4c5cc(OC)c(OC)c(OC)c5CCN4C)c(OC)c1OC)OCO3)NCC2 95912470 YFNGFDLAUMVQDZ-YSZGHJDFSA-N 752.861 6.051 50 1 KKGF biogenic,in-vitro CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSS[C@H]3CO 150349707 JGBATTQHJFVZFH-DMWCYZSBSA-N 1000.310 9.601 50 1 KKGF biogenic,in-vitro O=C(c1ccccc1)c1ccc(Br)cc1OCc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2cccc(Br)c2)o1 150578213 VOCPBUJTMPFOAF-YADHBBJMSA-N 617.681 6.100 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC3(C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)COC4(CCS(=O)(=O)CC4)O3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169367747 NHBCHVLDNMXNDH-FEOZHPCOSA-N 752.964 5.958 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc2c1 299867389 XWVCXLMCIASMLV-VVEOGCPPSA-N 551.503 6.823 50 1 KKGF CC(C)=CCC[C@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 586904980 WXMOIIRFMQVYDP-UAVRFHKBSA-N 654.874 12.161 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320055 DKAINHIPOZMDHU-GQXWBXLRSA-N 533.393 7.361 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587321236 CSDPBURFSVWVDG-MPBSFFGJSA-N 576.407 6.598 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)[C@H](Br)c2ccccc2)N1 587671366 RETKWEWULZLOPI-WQPYXDDYSA-N 582.149 7.266 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1COc2ccccc2O1 587689594 UUGDUCRVQZPTGO-ICUZJZPDSA-N 533.869 5.863 50 1 KKGF Cc1onc(-c2ccc(F)cc2)c1[C@@]1(CBr)NC2(CC2)Cc2ccc(Br)cc21 961329785 ZMDYZVKGVLYCRZ-QFIPXVFZSA-N 506.213 5.868 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962720943 YLKDSGYGAMURSR-XGLXQRBPSA-N 872.425 7.585 50 1 KKGF C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962965799 IOJSIIKGEDMKJW-UDRFRDEISA-N 698.288 6.305 50 1 KKGF Cc1ccc([C@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)s1 963205733 XUSJUSIFVSYIQI-OUTSHDOLSA-N 534.033 6.392 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1scc(Br)c1Br 963862853 IHOCXLWVISKCTO-JLCFBVMHSA-N 638.216 6.857 50 1 KKGF C[C@]12CC[C@@H]3[C@]4(C=C[C@]5(C[C@@H](O)CC[C@]35C)OO4)[C@@H]1CC/C2=N\OCC(=O)Nc1cccc(Cl)c1 1772613251 NUVKTCXPXBWOQJ-NUEKQDCXSA-N 501.023 5.038 50 1 KKGF CC(=O)c1cc2ccc(OCCCCCn3cc(CNC(=O)CCCC[C@@H]4CCSS4)nn3)cc2oc1=O 1857759957 YSSFPEIUDLERSM-HSZRJFAPSA-N 558.726 5.167 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@@H]([C@H](O)[C@H]64)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N[C@H](C)O 2356354578 MZGQAWCADDXVMG-BRGUNURJSA-N 947.366 6.384 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@@]6(O)[C@H](C(O)=C[C@H]6OC)[C@H]4[C@@]35C)C[C@H]1C2 2356369082 PYUMAYNGEOTZNK-BCNUBEIMSA-N 625.941 7.167 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2)C[C@H](O)CO 2356406274 RYWQWUZYZWJLEF-DCYXQNHUSA-N 934.278 9.735 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356541816 NZIXMPPZCUGLMJ-YVGWLBJRSA-N 908.196 9.030 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@](O)(CO)C[C@@]35C 2356645106 FWIOHTNJJIBGEH-CFLNTPNWSA-N 966.313 5.887 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CCC6(CCCC6)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356684197 NNXKWDHOIVEJBN-AZZUAVQESA-N 956.274 6.747 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356715439 WVKFKBMNIXGMKL-UBAWQMKDSA-N 859.252 8.403 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356806870 AIGXWSFXZCOXQJ-WUZVWSLUSA-N 957.361 8.918 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SS[C@H]1NC2=C4C(=CCN2)[C@@]2(CCC[C@@H]2c2cccc1c24)C[C@]1(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]1O 2356815702 CUKNVLNBOHVUNE-BGNRGTLOSA-N 921.103 5.028 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1C1=CCN=C1 2356871134 XXUTZIWBIJMVNS-SXLHQFSNSA-N 854.036 6.408 50 1 KKGF N#C[C@@H](C(=O)/C(=N/NC(=O)c1ccccc1O)[C@@H](C#N)c1ccc(Br)cc1)c1ccc(Br)cc1 5722402 JRHDLKYYKPTMNO-SPOTZWPWSA-N 580.236 5.187 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCNCCOC(=O)NCCCc4ccc(N(CCCl)CCCl)cc4)[C@H]3[C@@H]1CC[C@@H]2O 27214817 YNIBIHYZHQUIHY-CXEKUSOYSA-N 716.835 8.018 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)C[C@@H](Br)P(=O)(O)O 66259077 PFFHBTVVORAHDE-SFTDATJTSA-N 515.466 6.441 50 1 KKGF CCC[P+](Cc1ccc(Oc2ccc(C[P+](CCC)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1 84705294 KAJLLCKGYLIWDS-UHFFFAOYSA-N 652.799 10.636 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCCO)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 85597316 NFLOEUQBEWZRCH-GRAOIZHZSA-N 795.033 6.586 50 1 KKGF biogenic,in-vitro CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O 100782327 CSWYLIDLQDJVCQ-VXXKYVLVSA-N 568.795 8.133 50 1 KKGF endogenous,in-man CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(Cl)ccc2Cl)C2=C1CCC2 103950641 FPECZYCKTUIZNQ-IBGZPJMESA-N 560.287 7.353 50 1 KKGF C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CSSCC/C(C(=O)Cc3cccc4c3CC(=O)N[C@H]4N)=C3\CC[C@@](C)(O)[C@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C 150342539 VTILEHRSMCABTA-IJEMOWPWSA-N 751.068 6.204 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 195292874 LTLNAIFGVAUBEJ-QXWSBMPJSA-N 826.475 6.085 50 1 KKGF CC1(C)[C@@H](O)[C@@H](Br)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@@](C)(Br)CBr)CC[C@]3(C(=O)O)CC[C@]21C 299810188 MHAIPDFRQVBADK-YRJDUADUSA-N 695.415 8.435 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc2c1 587015082 FAZVXTHLOWZSNS-UHFFFAOYSA-N 551.187 9.080 50 1 KKGF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587121125 TUOUNHGJGQLISD-UHFFFAOYSA-N 566.272 6.407 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1OCc1ccccc1 587327315 OYPYFGQFZGXSDI-PXJZQJOASA-N 505.973 6.072 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2Br)[C@@H]1c1ccc(F)cc1 587340596 YKAFXPCWQDFIIM-IFMALSPDSA-N 524.155 6.082 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)CC2=O 587455768 FPNODBKBWSUZOX-GDLZYMKVSA-N 548.433 6.433 50 1 KKGF CC(=O)O[C@]1([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587541332 AZWGIFGJEHTQNG-RGYLPLGTSA-N 665.610 7.754 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587620529 ZOSAPYHMMUPEAB-DUIYTSMZSA-N 604.124 7.060 50 1 KKGF COc1cc(/C=N/NC(=O)OCc2ccccc2)cc(-c2cc(/C=N/NC(=O)OCc3ccccc3)cc(OC)c2O)c1O 653861618 CWONDBAPZHJRML-WMFSDKRHSA-N 598.612 5.303 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(c1ccc(Cl)cc1)c1c[nH]c(C(=O)NNc2ccccc2)c1 962992067 XXLDKODBSAHMGJ-QNGWXLTQSA-N 683.592 7.045 50 1 KKGF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1C[C@@H](Br)[C@]21N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963549206 JEPAULPTEBSUEF-CSAAGSLXSA-N 568.508 5.350 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963805672 FFGJQHILRLYVEF-GELPCWRISA-N 654.163 6.193 50 1 KKGF CCCCCCCCCCCCCCCCCCn1c2ccc(C(=O)CCl)cc2c2cc(C(=O)CCl)ccc21 1772648564 DISCSFWCYOQBLS-UHFFFAOYSA-N 572.661 10.899 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 1857560830 GXIDZUOKFMNGIA-FEWVHYGASA-N 928.953 6.966 50 1 KKGF C[C@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857585367 UBQWLOSVKJVOGR-INIZCTEOSA-N 581.425 6.545 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCCC 1857587514 MENXRIHKBIBEFN-KSTXALNGSA-N 645.917 9.270 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5c(CNCCCO)c(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O6)C4)C1)C2 2356301234 RSZMIUSJIDYSLK-CHFNSESSSA-N 971.255 8.264 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@]3(OC[C@@H](OO3)[C@]3(C)[C@]4(C)CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@@]4(C)CC[C@@]23C)C1(C)C 2356333367 RAPGDEKELRZXMW-BWUBUFOLSA-N 544.817 8.247 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@]21O 2356354690 OVOIZBXALGFDPS-JOASWFHASA-N 928.363 8.530 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1CC[C@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356357130 GTBOFIDDSYJTQI-AQOIIIFMSA-N 559.886 6.756 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@@H](NCCCCO)c1cccc(CO)c1)CC(=O)CC2 2356434850 GTNWTMPSXPSDCU-IMFBIXIZSA-N 705.939 7.822 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356450954 PCRGTPLJNHBCSV-FBHGAZRBSA-N 821.123 6.451 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356590716 YWBSOVXZZCBOKO-PVJOEPHMSA-N 743.042 5.927 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356595091 SCUUADLDRYTZTM-PUAMAZNBSA-N 723.011 5.875 50 1 KKGF C[C@@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356597762 UBQWRSUQFVDQJA-JWWZDNTKSA-N 531.832 5.833 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356661457 CBECSIRFQBKURK-GTHIKPSASA-N 779.119 7.717 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@@H](O)C1 2356666329 VXLWVYDSJNFOIL-MXEVFQHESA-N 861.099 6.789 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@@H](CCc3ccccc3)CC#C[C@@H]2NC(=N)N1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC5 2356673733 OFKLVIGDELBADD-CZJGKHKESA-N 883.146 5.236 50 1 KKGF CN[C@@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1cccc(CO)c1 2356748389 BGGNTKRHHFGOTB-QCOQUXPQSA-N 673.897 8.068 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356831960 HYNQEMLYTDBECY-OTJJZPLWSA-N 857.016 6.372 50 1 KKGF O=C(c1c2c(cc3c1CC1(Cc4cc5c(cc4C1)CCCC5)C3)CCCC2)C(Br)Br 1645336 SWJKAABEPDFUPN-UHFFFAOYSA-N 528.328 6.627 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3ccc(O)cc3n2C)c(C(=O)Nc2ccccc2)c2ccc(O)cc21 14944338 KGVFYDBDTHRCJU-UHFFFAOYSA-N 594.718 7.385 50 1 KKGF Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(-c3ccc(NCCCl)cc3)sc2c1 14970938 FXZAEERSBSFGNQ-UHFFFAOYSA-N 523.098 7.582 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccc(N(CCCl)CCCl)cc2)C(C)(C)CCC1 27214200 VGCZNLNOYASPGB-VVBGKOPISA-N 515.569 8.441 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCNCCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 71332321 FJJYGBZNKGRJGD-OESAMTSRSA-N 574.118 5.421 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O 72318109 BHBZJMIRTLLHDF-IENBMRAWSA-N 710.474 5.234 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(CCNc3ccnc4cc(Cl)ccc34)CCO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169298235 QKXIGCOCRXTTOU-LYCDMCBFSA-N 842.471 8.051 50 1 KKGF C=C(CC[C@@H](O)[C@]1(C)CC[C@@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 238755185 ZAFALSYXVNIPJK-DSEUTGPASA-N 587.636 5.989 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(-c3ccc4cn(Cc5ccc6ncccc6c5)nc4c3)cn2)CC1 261167799 SGCGRBMTXZLJBR-OGESRWMOSA-N 537.784 8.002 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3c(F)cnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056197 NYVHXLKBTSXDBB-QPEQYQDCSA-N 505.178 6.638 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C#N)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190224 JXVNIGALCQVKKK-JAJUVVLESA-N 586.777 6.467 50 1 KKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323751 SXARFCYJPCGDFO-AWCRIJRFSA-N 538.251 6.225 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 587323942 UWNPGNOFRQDTQV-DENIHFKCSA-N 551.162 5.810 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587326330 KVMNNSKCAPHPQY-OFSOJUDTSA-N 527.935 5.556 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Oc2ccccc2)cc1 587537531 HALDMQGIGRVKGK-SHQCIBLASA-N 503.348 6.437 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 587679189 FMJXENMENJIZFP-XYZCENFISA-N 517.053 5.496 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2Br)N1 587682627 MVFAEEKDIUNEPS-AXGMCQANSA-N 506.254 5.158 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 587714137 VBNYYHUMVMDHLV-CQLKUDPESA-N 517.105 6.058 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587851021 UHFXVQKUAYCCRB-KSTXALNGSA-N 788.867 11.177 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680151 RYWPLMVDDZUSTD-XZCTZSJQSA-N 739.300 9.374 50 1 KKGF Cc1ccc(-c2noc(C)c2[C@@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962952063 HAYMFFVHTZGSAC-RUZDIDTESA-N 535.404 6.267 50 1 KKGF CC(=O)O[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963020801 NTZNASLOJHXYTM-AWTKVREMSA-N 775.488 7.080 50 1 KKGF CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)C[C@@]23c2ccccc2C[C@@H](C(=O)O)N3C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 963092743 WTSHSBMGOOSGDW-KPPPVQTISA-N 725.889 9.173 50 1 KKGF Cc1ccc(-n2nncc2CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1Cl 1772584906 YMSBTIQNVONFEC-QNGWXLTQSA-N 647.098 6.398 50 1 KKGF C[C@H](CCC(=O)Nc1ccc(C(=O)NN=C(c2ccccn2)c2ccccn2)cc1)[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 1857641147 NOJVHKHAVRRVHL-NOMLTUDTSA-N 707.916 5.975 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@@H]3CO 2356292151 MNFWHTHZMLKFKD-HFAKMPNOSA-N 987.294 9.425 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 2356299368 AXVWGNVFNUIIHZ-QCHWWCAJSA-N 976.317 12.231 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)[C@@H]2CCC(C)C 2356349499 GUSRCACVHALBFZ-LMRGIEGSSA-N 789.162 8.602 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2 2356350835 KKLQZLJXVJEQQF-BKIWHSJJSA-N 965.380 11.185 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@H]([C@](C)(O)C1CCN(CCCOC)CC1)C4 2356373868 JPZLUIOKHVYOBW-CMMUKCOJSA-N 812.957 5.096 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C[C@H](C6CCCCC6)C[C@@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356401231 XQPPHSJZWNGHCO-WBWBGRAWSA-N 953.240 8.614 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C12CCCC2 2356408310 BEERVUVFHSNLLS-DDOVNUHHSA-N 867.232 9.101 50 1 KKGF C[C@@H]1CCCC[C@@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1OC(=N)O 2356409645 OHWUDMVJYPQYDU-FOIWGHFBSA-N 986.472 12.456 50 1 KKGF CCCCCCCCCCCCC[C@H](C)CC(=O)OC(=O)C[C@@H](C)CCCCCCCCCCCCC 2356496012 BNNALAXBAYADRW-ACHIHNKUSA-N 522.899 11.511 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@@]2(C)O)CCC=C(C)C 2356565388 BCHINQNSSLQLBZ-YENHHWHHSA-N 536.753 5.526 50 1 KKGF C=C(C)[C@H](CC[C@]1(C)C(CC[C@H]2[C@]3(C)CC[C@@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)=C(C)CC[C@H]1O)OO 2356608870 JKSNJIROFMMOOT-ULQDDLNMSA-N 508.740 5.944 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356702904 BGBRAXXCZRMUGX-FKFKHHQRSA-N 858.129 5.625 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Br)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356716577 RETCPPWIOCMJEO-UKDVSSAZSA-N 525.867 6.238 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356759596 CZJIEDQMUAGKDR-SBYAJHKBSA-N 800.138 5.561 50 1 KKGF CC(=O)OC(C)(C)[C@@H](C)[C@H](C)C[C@@](C)(OO)C1=CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356793726 HNDRHYSJRCQNII-YMDCNFHCSA-N 536.750 5.264 50 1 KKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@H]1Cc1cc(C(=O)O)ccc1O 2356836123 KXLIXIDTMVKERB-CCUFPCEUSA-N 613.374 8.070 50 1 KKGF O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 17433718 HLLGIHOHYYUOEV-MKCQOVQRSA-N 525.970 6.240 50 1 KKGF N#CSc1ccc(CCCN2CCN(CCCN(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 28636669 AWZZFMHRQQLPMA-UHFFFAOYSA-N 506.666 6.317 50 1 KKGF CCO/C(O)=C1\C(C[S@](=O)c2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 43260650 HYVIYZLGCOJNSV-CGVHIALBSA-N 531.556 5.613 50 1 KKGF CNC[C@H]1SSC[C@@H]([C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@@H]2CCC[C@]1(NC(=N)NC)C2 85597172 XTAIHWXIGKTBQY-DWBFLASCSA-N 796.025 5.618 50 1 KKGF biogenic,in-vitro O=C(COc1ccc(OCC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Cl)c1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 95550412 VTQTYTZPRKMVBO-QGZAGHSOSA-N 734.807 8.532 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(COC(=O)CCC(=O)O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169289957 LKGRAXYPFZAARJ-YVHRWHCXSA-N 722.869 5.407 50 1 KKGF CCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169361496 ZHVQBIHGGSQOSC-FDBLKEBUSA-N 590.710 5.324 50 1 KKGF C=C1[C@@H](O[Si](CC)(CC)CC)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C=C1CC(=O)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O 195152027 CINDNJJUDJVRPD-IVDDQONWSA-N 608.804 6.278 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 195192187 RWPJHYYGAGYJMG-KTZZWWQOSA-N 846.465 6.345 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1[C@H]1/C=C(\C)CC[C@H](Cl)[C@@]3(C)CC[C@@H](O3)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 255198043 BEJASAFEMXKLJK-GHQVLQLVSA-N 719.400 7.492 50 1 KKGF O=C(Cc1cc(Br)cc(Br)c1OCCCCN=C=S)Nc1ccccc1[N+](=O)[O-] 299856602 CVSHPDCPOAUJCD-UHFFFAOYSA-N 543.237 5.563 50 1 KKGF COc1ccc(Br)cc1NS(=O)(=O)c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl 586948497 JJHZYPKYRSMJIC-UHFFFAOYSA-N 697.727 8.875 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 587319234 AWLPQNPMKKMNJZ-KZQOYIJHSA-N 537.812 7.575 50 1 KKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 587324897 ASPAUETXSYLOFR-LMSSTIIKSA-N 505.973 6.441 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 587327572 QAKXKQVLWQIUTN-POURPWNDSA-N 533.983 6.219 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587690046 YYWSEFJZEKWBSK-JYCPIGSLSA-N 527.821 5.525 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(Br)c2Cl)N1 587723108 VGFZHBVCGJRBRU-CQLKUDPESA-N 544.459 6.316 50 1 KKGF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587788213 RGTVOADSSJNFRZ-UHFFFAOYSA-N 546.470 7.194 50 1 KKGF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CCCC(C)(C)[C@@H]1CC2 587931487 JKHJNOHFMFSLPD-CCLHPLFOSA-N 623.526 9.879 50 1 KKGF CC(C)(C)OC(=O)NCCCNC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@H](OC(=O)N5CCC[C@H](c6ccc(-n7cc8cccc(C(N)=O)c8n7)cc6)C5)C4)O1)[C@@H](C3)C2 621478116 BHCPURISNBMBCY-BTPUQQPBSA-N 826.992 6.611 50 1 KKGF CCn1c(C(=O)NCCBr)ccc1C(CC)(CC)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 653791401 SDTHXLKLZPRGNH-DEOSSOPVSA-N 521.540 5.833 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc(Br)sc2Br)N1C(=O)c1ccc(Cl)cc1 963002701 DIPBXVDFVIELFZ-UUOWRZLLSA-N 643.184 7.042 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 963169292 FPHCIHQKEPBMSG-RDPSFJRHSA-N 599.787 6.083 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(C)cc1)[C@@H](Br)C(=O)c1ccc(C)cc1 963643628 ZYMUQQFNQMYGOY-MDZDMXMASA-N 508.456 5.745 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1c(Br)ccc(Cl)c1F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963779749 WWNNARSUZLRESM-NDEPHWFRSA-N 664.753 6.646 50 1 KKGF COOSNc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772622151 NSZVYGFLRUZXHN-JOCHJYFZSA-N 561.504 6.216 50 1 KKGF COc1ccc(/C=N/NC(=O)c2ccc3[nH]cc(C(c4ccc(C)cc4)c4c[nH]c5ccc(C(=O)N/N=C/c6ccc(OC)cc6)cc45)c3c2)cc1 1857641034 CXYXQWWIBAUOTL-XQPPAUJBSA-N 688.788 7.683 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)CNCC 2356350519 DQQRFSUSJZEJHV-MPGRQUAKSA-N 666.988 6.120 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2 2356350836 KKLQZLJXVJEQQF-KEWUHOLLSA-N 965.380 11.185 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1cccc(CO)c1)[C@@H](CC=CCCC1CCCCC1)C2 2356356516 ZSBZNYFSKQSOBD-CGSAZNDSSA-N 720.098 9.253 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H]3C)[C@@]12O 2356362073 AGTOZYFPMXFTIU-APEIIMLGSA-N 837.290 10.291 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@@H]5C[C@@H]6CCC[C@]6(C[C@H](O)CO)C[C@@H]5[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356362108 ARKQIJPFNXRXGQ-MNJBUVJISA-N 972.283 8.316 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356376763 WTRNMVUURKYVLV-YIWGNFKMSA-N 795.118 6.863 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@@H]2CN(CCCOC)CC[C@H]21)C4 2356493545 WPQVFLINZAFPEF-DTAPRHDZSA-N 836.979 5.262 50 1 KKGF C=C1CCCC=NC[C@H](C)[C@H](C)CCCC=C(C)COO[C@H]([C@@H]2C=C(C)C(=O)O2)CCCOC[C@@](C)(O)CCCC1 2356520241 FSKQAQWZTWBTFJ-MCWJOJKXSA-N 575.831 7.483 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@@H](C)C3)C2)C[C@@]12CCC1(CCCC1)C2 2356601093 JAQAIDACYUMOBX-QXBLHQJDSA-N 767.246 11.770 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)[C@@H]1C=C2C(C)(C)CCC[C@@]2(C)OO1 2356652906 UUDZWPOVNSESPO-LOGWAFOFSA-N 568.886 11.749 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)[C@H](CCCO)SS[C@@H]5O 2356768583 SSKAJJVJHDMLDA-GTONTHAPSA-N 928.264 5.676 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356809392 AQMSGNQNWKMEBK-ADVJCDNWSA-N 939.210 5.670 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356833861 KKOUMCYYXGDPCH-ATKDQSSYSA-N 933.339 8.620 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356852538 QQOULNVXAZYUHE-QHLDEKFGSA-N 971.164 5.841 50 1 KKGF O=C(Nc1ccccc1)Nc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)c1 27631688 SRLWDHBJTGQOLR-NDEPHWFRSA-N 703.977 6.844 50 1 KKGF Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84724541 IMCMEOMWNBFBPA-DEOSSOPVSA-N 501.993 6.099 50 1 KKGF C[C@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@H]4C=C[C@]12C[C@H]4C3 85543470 KRYDUCHZFSFIFY-VFBDGOMPSA-N 694.107 11.463 50 1 KKGF biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)/N=C(\O)c2ccccc2)cc1 95543042 SNCFJUXFUJTYIG-UHFFFAOYSA-N 822.968 8.378 50 1 KKGF COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907836 CTAKNIZDMBVMSS-WJOKGBTCSA-N 603.629 7.126 50 1 KKGF N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 96933495 XHTNBKQCCJYWBK-JWQCQUIFSA-N 520.936 5.767 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@H]3CCC[C@H]3O4)CN3C[C@@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSC[C@H](CCc4ccccc4)CCC[C@H](CC1)[C@H](O)C2)CC3=O 150348620 QCJCPOOHSVXDEB-PJRKWLIZSA-N 1035.470 10.769 50 1 KKGF biogenic,in-vitro CNCCCCC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2 150349163 PDDVJWABZJCYHV-VKRYJYOWSA-N 862.151 7.552 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(CO)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169366440 PIHGTXTYUJXWMZ-ARCSDHRBSA-N 606.797 5.876 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@@H](Cl)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O 195511122 RDUNIJYOOPTOPY-LGTXBLIGSA-N 719.146 5.849 50 1 KKGF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](C)O)cc1 586938226 OXWNDAHSMLSDQR-RFAUZJTJSA-N 566.368 5.392 50 1 KKGF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H](C)O1 586967573 BDDSEHVJSWPDHS-KBPBESRZSA-N 531.576 7.069 50 1 KKGF Cc1csc(SCc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)n1 587021274 KMZOHKXGNOPVHT-UHFFFAOYSA-N 542.418 8.707 50 1 KKGF COC(=O)c1ccnc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 587189567 CZANZXLPCJNSFF-GZZRBLOISA-N 620.791 5.776 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4nc(O)[nH]c4cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190366 NKFGTXQHRJCJID-IROVJIRSSA-N 617.791 6.177 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3nc(C#N)c(C#N)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190379 KUEGOXPGSGMJCW-HTISMCIFSA-N 613.763 5.128 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587500018 XHPNOLOVCWWWBV-SSEXGKCCSA-N 536.024 5.646 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 587537153 BENPXIRNBPKVCM-LBNVMWSVSA-N 562.372 6.131 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548901 YHHGHXRLGGFWHM-IKJYPODQSA-N 667.582 6.273 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567492 AYHVESUCQQGOBH-GEXJEKHTSA-N 518.972 5.891 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(CBr)cc2)N1 587671674 AAZHHLDJWPZFJN-VOJFVSQTSA-N 506.051 5.656 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 587673160 KXWVIPKASMNSIY-WVDJIFEKSA-N 549.065 6.723 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 587712898 BQEJGISMHPESDM-VAZLSXMYSA-N 541.839 7.002 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587844782 PASPNJIZHDIXRK-CHNSCGDPSA-N 517.848 5.110 50 1 KKGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)O[C@H]2CCC[C@]4(C2)OOC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 621476399 NTXXGUGMTBSXET-RXVQNTQXSA-N 699.244 8.549 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CCCCCCCl)c3ccccc3)c(O)c2C(=O)O1 962967531 LDKCWMKSRCVATA-VYSBMLFXSA-N 610.534 6.732 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCCCCl)CC1OCCO1 962998190 SPURNBIUJBQWLG-NDEPHWFRSA-N 550.479 5.382 50 1 KKGF COC(=O)C(C)(C)[C@@]1([C@@H](C)Br)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963213301 HCUUBYZFWQPRDR-XYRKLHBQSA-N 712.506 5.647 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(c3ccc4c(c3)cc(O)n4C)[C@H](C)Br)nc(Cl)nc21 963928837 PDVVFNJIJRSYEY-DEXQXJORSA-N 595.929 6.053 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OCCCO)C3)c2O)C12CCCC2 2356350789 JSSZVIFQCKYAGS-KDGVDISYSA-N 953.322 8.669 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@H](O)[C@H]2O5 2356353056 HFFJRTINSKCJKG-MCUWSSRISA-N 774.998 7.737 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1CC[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356358880 YZKKRZDPJVIPEV-PGKJIKOYSA-N 545.859 6.366 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2)C[C@H](O)CO 2356406276 RYWQWUZYZWJLEF-ZDYYJUIVSA-N 934.278 9.735 50 1 KKGF CN[C@@H]1CSSC[C@H]2c3cc(O)ccc3[C@@]34[C@H]5[C@@H](CC[C@@H]52)C[C@H]3CC[C@@]42[C@H](O)[C@H]1C[C@@H]1[C@@H]3CC[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@H]12)[C@]34O 2356747378 ORYJQCRFEHWISW-KLNLXZNASA-N 947.185 6.392 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@@]3(CO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356777438 VVIBUPALDZALMU-CYRWSRGRSA-N 711.899 6.526 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSS[C@H]6C=CC7=C(NCC=C7CC3=C4C(=O)O5)N6)[C@H]21 2356869066 XHPHBKRZTOJXHO-IBMFWSICSA-N 602.822 6.735 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597325 WBWNEZYNFAENKJ-DRNCVWAWSA-N 829.094 8.743 50 1 KKGF biogenic,in-vitro COc1ccc2c(C)c(-c3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@H](c4ccccc4)C5)cc3)c(=O)oc2c1 95563038 VVZVCAGQWSYPTP-CHJDUVSTSA-N 530.580 5.986 50 1 KKGF C[C@H]1[C@@H]2CC[C@H](C)[C@H]3CC[C@@]4(C)OO[C@@]23[C@H](O[C@@H]1CC(C[C@H]1O[C@H]2O[C@]3(C)CC[C@H]5[C@H](C)CC[C@H]([C@@H]1C)[C@@]25OO3)CS(=O)(=O)c1ccc(COC(=O)N(C)C)cc1)O4 169615547 CRSJHIRCVZDTHB-JIKXAJHJSA-N 832.066 7.556 50 1 KKGF CCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253991703 QDLRLYPWXMVZLU-HTYOJIRXSA-N 577.501 5.830 50 1 KKGF CCOC(=O)c1cnn(-c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1C(F)(F)F 587115106 NVPHVOJSXNYHRG-UHFFFAOYSA-N 605.305 8.031 50 1 KKGF O=S(=O)(Nc1ccccc1F)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587154941 VRVLSXHIQGZESM-UHFFFAOYSA-N 572.350 7.590 50 1 KKGF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587165575 DIFWIGMCJQZKSY-UHFFFAOYSA-N 509.479 7.697 50 1 KKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587498017 LUFLJLLHIFIQBM-LJAQVGFWSA-N 531.012 5.116 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587542807 JMZVJJIYJYVBNO-BXOQGLQYSA-N 593.117 6.346 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)CCCl)c2c1 587617834 KLWWBYOYHKHOKO-UHFFFAOYSA-N 528.974 5.120 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1COc2ccccc2O1 587689587 UUGDUCRVQZPTGO-BYXUUWECSA-N 533.869 5.863 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccc(F)cc1 587730376 FRINOEZLERQXHL-AUKLCZPDSA-N 508.838 5.972 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587840101 JLCPNZXGDIHHAW-LZECLLPCSA-N 565.936 5.455 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O 587940871 QBKBGCBJNZQEKI-VPICXTQMSA-N 813.386 5.001 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CCl)c1ccc2c(c1CCN5C(=O)OC(C)(C)C)NCCC2 961776246 LIASJVQWRWMVQH-BXDKUWAUSA-N 669.278 6.620 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@@]2(CCC3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962472264 FCFXAJILSPZGCJ-AAANWXQZSA-N 700.795 8.292 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)c1ccccc1C[C@H]1CN(c2ccccc2)CCN15 962626155 GJKDGNGDVIWWIC-IREWCCQBSA-N 701.323 7.176 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cc(C)c(OC)c(C)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962669362 DLDODKULBVFVPD-MUUNZHRXSA-N 592.452 6.685 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(c1ccc(C(C)(C)C)cc1)c1c(NC(=O)CCl)sc2c1CCCC2 963150679 RWMUVOYQXSAHJV-ICACTRECSA-N 644.259 7.097 50 1 KKGF Cc1cc([C@]2(CCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)c(C)n1[C@H](C)c1ccccc1 963927802 FQPYRIFRVOLKRW-XFSFLGPDSA-N 589.571 7.339 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2cc(O)c(O)c(OC)c2)CSSC[C@H]1c1cc[nH]c1 2356351025 OERAZJJAKCZMRQ-NRTAZHGZSA-N 521.701 5.784 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@H](CSSCc1cc(O)c(OCCNCCC(C)C)cc1[C@@H](O4)[C@@H]3COC(C)=O)C2 2356351053 OPTDNFMJZVTDDZ-AWLLOXFRSA-N 651.847 7.103 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356356676 BYLABABQYQAXRR-SCBLTWFBSA-N 948.342 8.189 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](C(C)C)Cc2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2)N1 2356365138 GBJSZTWRNAFNKA-QAWRICHGSA-N 785.086 6.907 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)[C@H]2CC(c3cc[nH]c3)=C[C@@H](C2)SS5)c1O 2356371181 WWITVMGWCHFOIU-WBFOBIBTSA-N 884.126 9.099 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356374285 RWHNWAZRRTYMJT-CTPOIUBGSA-N 811.117 6.256 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@](O)(CO)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]6O)[C@@]54C 2356374441 WBOMRNUXVPIXLK-OFVHPWQESA-N 950.270 5.454 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356524086 PQIPLOUNOJQDMR-SVYIYFQXSA-N 850.116 9.031 50 1 KKGF CC=C1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccc([C@@H]2C[C@H]3C(=CC)CN(C)[C@@H](Cc5c2[nH]c2ccccc52)[C@@H]3C(=O)OC)cc14 2356592685 GVJFCBIQWCVYNY-KZEDUQLASA-N 628.817 6.082 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1[C@@H]2C(=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]23C)[C@]2(O)[C@H]3CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)[C@@H]5CC[C@@H]1[C@]2(C)[C@@H](C3)[C@H]5[C@H](O)[C@H]64 2356759781 WXCSJIMWPMFBPN-QRYHUWRQSA-N 984.427 8.355 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)[C@H]3CSSC[C@H](CCO)[C@@H]4[C@@H](CO)C[C@H]1CC1=C3C(=O)C[C@]142 2356780332 SQUOMULSAIDJOA-SHILSSEDSA-N 838.287 6.344 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)CNC[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)[C@H](c3cc[nH]c3)CSSCO[C@@H]2[C@@H]1O 2356815015 CNNKGXLWRUKTHU-QAZRKSKQSA-N 865.039 6.951 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356826314 HIQWUUFFWHOYPL-GJMMYGOKSA-N 843.977 5.340 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C(=O)NC(C)(C)C 28529229 NZWGLNHCOXHUDM-VABKMULXSA-N 628.699 5.205 50 1 KKGF C=C(/C=C/C=C(/CO[C@@H](CO)CCCCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 85544704 MQEONIGUTYFMJG-XTFHWATASA-N 600.881 6.936 50 1 KKGF biogenic,in-vitro Cc1c(C(=O)NNCc2nc3ccccc3n2Cc2ccc(F)cc2)sc(C(=O)NNCc2nc3ccccc3n2Cc2ccc(F)cc2)c1C 95561705 LCLVSCQBSYQVKA-UHFFFAOYSA-N 704.807 6.308 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@H]1[C@H]2O 105497834 JALYFSGCWRLNPP-YJTOPFSFSA-N 617.592 5.988 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H](CNC5CCCCC5)[C@@H]([C@H]5C=CC[C@H](C)C5)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 150346783 RJWFQKZMUZGJFV-QGLVBMCFSA-N 874.216 7.860 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 150347694 MEDQKCURUCEKPJ-DIPXJUBVSA-N 945.254 8.983 50 1 KKGF biogenic,in-vitro CC[C@]1(NC(=O)Oc2ccc([N+](=O)[O-])cc2)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 169296196 XAKPWDHFXIKFKU-IUSKLYKQSA-N 975.109 5.695 50 1 KKGF C=CCO/N=C(/C[C@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169615568 WGDOECSYODBCCA-HIXQICAQSA-N 631.807 6.436 50 1 KKGF COC(C/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(C(=O)OC(C)(C)C)c1ccccc1I)OC 195506919 JLYABRYFXHLECO-JWGURIENSA-N 647.667 7.687 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 253636877 COEQIDDEZCASCC-XPCNVYDMSA-N 980.040 6.797 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 299814711 STPFNZPGQPDBNI-IZBOUPIGSA-N 586.011 6.526 50 1 KKGF C[C@@H]1CC[C@@H]2N(C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(Cl)(Cl)[C@@H]5C[C@H](Cl)CC[C@]45C)[C@@H]3CC[C@H]1[C@@]2(C)O 504098381 SJFDHZXYUNDKRM-PXVRNRCVSA-N 502.998 6.738 50 1 KKGF biogenic FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587047964 CPUKTFNECROXIF-IUCAKERBSA-N 508.137 8.561 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587328509 JHNNBBYUUJTIIP-IXCJQBJRSA-N 578.389 8.104 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1 587337028 UQLJYSKFWJZFPD-IXCJQBJRSA-N 528.382 7.225 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587541337 BABBTXDCDWSLEL-IYXKQEINSA-N 508.401 6.938 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1 587545546 RNEZWNVNGSKYCH-IGKIAQTJSA-N 504.926 5.804 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1 587545552 RNEZWNVNGSKYCH-RPLLCQBOSA-N 504.926 5.804 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 587672699 HEIDFJSGSUFRIT-JCQPUDPBSA-N 558.116 7.616 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 587688682 NBFYVVBVNBZXIQ-NPMABZOXSA-N 506.803 5.921 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)n2)cc1OC 587854126 QDOZFLFPLMFWFP-AZYOSKNGSA-N 550.881 6.005 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)[C@@H](Br)C(=O)c2ccc(Br)cc2)cc1 587897931 APOQFITVVXVDGW-JOCHJYFZSA-N 546.642 6.340 50 1 KKGF COc1ccc([C@@H](Cl)[C@]2(c3ccc(OC)cc3)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962630825 SWKFSWFEEZCQGS-NGKQEFFVSA-N 580.077 6.377 50 1 KKGF O=C1c2ccccc2[C@@]2(c3ccc(CBr)cc31)c1ccsc1CCN2Cc1cccnc1 962994463 DGOVHBIIATVNTM-HHHXNRCGSA-N 501.449 5.933 50 1 KKGF Cn1c(O)cc2cc([C@@]3(CCl)c4[nH]c5ccccc5c4C[C@H](C(=O)O)N3C(=O)c3ccc(Cl)cc3)ccc21 963018023 NDYVRGYLLQJQEM-GIGWZHCTSA-N 548.426 5.653 50 1 KKGF CCOC(=O)c1c([C@@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n(CC)c1C 963190010 XTWNBVNEUPXDTB-IVZQSRNASA-N 521.363 5.055 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2ccc3ccccc3c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963354412 XNFPGDSIVVDCLI-PIZIKKFZSA-N 648.553 7.533 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(COc3ccc(C(=O)Cl)cc3)C(C)(C)C)nc(Cl)nc21 963918404 YVYIUABNPATNAJ-GDLZYMKVSA-N 568.505 6.528 50 1 KKGF CC[C@H](C)[C@@H](c1nc(C(=O)OC)co1)n1cc(C[C@@H]2C[C@@H](CCc3ccccc3)C[C@@H](O[Si](C)(C)C(C)(C)C)C2)nn1 1857592020 UWMDIGGHAZHIQG-SXPPYDEXSA-N 594.873 7.670 50 1 KKGF C[C@H](N)C(=O)OCCN(C)/[N+]([O-])=N/Oc1cc(NCCOC(=O)[C@]23CCC(C)(C)C[C@H]2[C@H]2C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]2(C)CC3)c([N+](=O)[O-])cc1[N+](=O)[O-] 1857641170 SWIAPPQBZLYKGU-DTWSPVGFSA-N 905.019 6.671 50 1 KKGF CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2 2356321278 CKGGHMQKVKSOSM-YWDIWJIQSA-N 820.090 8.176 50 1 KKGF CCCCCCCCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1 2356334881 OTVIJJKBILNRLT-IAMKCGCDSA-N 599.293 7.964 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2C[C@@H]([C@H](C)[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC24CCCC4)[C@]1(CO)C[C@H]3CNC(=N)N[C@H](C)O 2356358763 WKHZISBXNZWOQY-DOUJOWOZSA-N 995.451 6.893 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1cccc(O)c1 2356371439 ZNRFJBLBKUIGNB-BKQYORRRSA-N 659.870 8.454 50 1 KKGF CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(CC3=C[C@@H]4[C@H](C(C)C)CC[C@](C)(OO)[C@H]4CC3)C(=O)[C@@]1(C(=O)C(C)C)C2=O 2356437030 DXFWUAWSMRONLI-UFNCGUJZSA-N 773.152 12.390 50 1 KKGF C[C@H](O)[C@@H]1CCc2ccccc2Cc2cc(O)cc(c2)C2(CCCCC2)[C@H]2C[C@H](CSSC1)C[C@H]1[C@H]2CCC[C@]12C=CC[C@@H](C)C2 2356451061 SCXUEEWLUHQBFN-NWIBLMBISA-N 659.058 10.925 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)NCC2=C[C@H]1CCC2 2356672672 SICMJLYMVUWQSB-ASOIFIKKSA-N 827.160 6.378 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CCC6(CCCC6)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O 2356684200 NNXKWDHOIVEJBN-WPRDLIBPSA-N 956.274 6.747 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)[C@@H]2CCC[C@@H]3[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC[C@H]4C[C@H]3[C@]2(CO)[C@]14O 2356687544 SNLQGWGKELDCER-WWURLYHFSA-N 967.397 5.971 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356759487 TZMUNTBPQXJUKF-FEYPMZMQSA-N 923.335 10.730 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@@H](O)CCC(C)C)c(=O)oc3cc1O2 2356810689 BAONDWVZEZWXJH-JOPRVVRCSA-N 955.253 6.205 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CCCC1 2356815182 CPKCTBXOLUCSLM-LATHVGBQSA-N 776.078 5.699 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](C1(n3ccnc3)CCCC1)C1=CC2=CN[C@H]1N 2356833694 KISWNKBLKAIDKH-QKCIIYFBSA-N 646.879 6.399 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356836862 LELMGULNVJKKNX-HZFWFZRYSA-N 931.323 8.746 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl 5579466 YJVKYMHMLRIJPY-GOTSBHOMSA-N 576.483 5.674 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O 26404467 ZCLOWBXNKUYDPI-BQWSMVIGSA-N 623.834 7.351 50 1 KKGF CN(C)c1ccc([C@H](I)[C@H](I)c2ccnc3ccccc23)cc1 38142126 QRJLZGHIQSBNID-RBUKOAKNSA-N 528.175 5.953 50 1 KKGF CCCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C 43022038 RUUABZPZVNLUHZ-GOTSBHOMSA-O 594.430 7.835 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CCC(C)CC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)NCCN(C)C)[C@@]12C 49823214 QXDAVDALEGIYMU-XDGQHLFSSA-N 646.910 6.794 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSSC[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 85571170 POEXFCCHSZDDPU-PURNFJHYSA-N 630.876 8.296 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@@H]2[C@H](CCCCCC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 95552737 WGVWKOGGAZAROY-IJDHDTATSA-N 618.764 6.104 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 150345894 HOYVHYAMLXTPOG-CCJYSROYSA-N 873.151 6.393 50 1 KKGF biogenic,in-vitro COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc(OC)c1OC 299833357 KRDLUGZZVOBHNO-AREMUKBSSA-N 542.588 5.424 50 1 KKGF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587120631 QYOKJKYYUXFLEY-UHFFFAOYSA-N 525.141 7.411 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 587341723 ZUTWSPRHAZFFLW-LLMATUJJSA-N 558.609 6.462 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545903 SLQDWBFIOQMECN-LXWOLXCRSA-N 509.986 5.467 50 1 KKGF Cn1cc([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587548678 OXZJCNWSLBTCBN-HJMKBVNMSA-N 610.563 7.858 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557743 SREFBRYFUVRUFJ-PBIUZIBVSA-N 623.117 5.679 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685397 PXDZRZROODBRFU-LZGLPUDESA-N 511.863 5.898 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 587718698 NZGJRRASZAKLFX-CQLKUDPESA-N 544.459 6.316 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br 587846110 TZEMVSZPCYMDBZ-WIPGAUKJSA-N 919.053 9.774 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(OC(F)(F)F)cc1 618017573 TUGNKBUQUJAXBY-MOPGFXCFSA-N 662.605 5.061 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(Cl)cc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1 653706069 ZTOHXMSGFNRGIE-HASSKWOGSA-N 640.543 7.892 50 1 KKGF C=CCc1cccc(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)c1O 653804911 LJSAOZBYSGZILH-FNTLCPBMSA-N 627.717 7.019 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)[C@H]1CC=C[C@]21N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761190 GZKOHIFTGWLWPU-SZHVSHORSA-N 681.828 6.931 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962946803 JLFGMSIXRFMPJC-CISLGLPMSA-N 841.181 6.675 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CBr)c1ccccc1Br 963070262 SRNOOSKIZVQHTL-ISJBWFOZSA-N 608.327 5.566 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089630 GLXVEKHBAHGFQM-LBHUVFDKSA-N 712.438 8.258 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3ccc(N4CCCC4)cc3)nc(Cl)nc21 963915775 PLOCZHLRDDTOKE-NDEPHWFRSA-N 581.946 6.068 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)Cc6cc7ccccc7nc6C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NNC(=O)c2cccnc2)CC[C@H]1C 1772630632 JDSGCFKBRONNDO-YSWRJRSPSA-N 658.931 8.762 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSSC3 2356291692 BBOSEXNOMQBJHY-GMTUMPEZSA-N 957.268 9.891 50 1 KKGF N=c1[nH]ccc2c1CSSC[C@H](CO)[C@H](O)[C@H](Oc1cc([C@@H]3C=C[C@@H]4C#C[C@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C3)ccc1O)C[C@@H]2Cc1ccc[nH]1 2356291988 BXMLARMRNAABKI-RELNJAMQSA-N 764.023 5.130 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)C[C@@H]3C=C[C@H]4[C@@H]5CC[C@@H](C(C)=O)Nc6c(CO)cc1c(c65)[C@H]3[C@@H]4CO)CC(=O)CC2 2356362352 FLAZJTUKYYZSBK-AKOGAUQLSA-N 979.271 8.881 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356368928 BESJMKYRTXDLSU-YXJXFTFRSA-N 817.215 9.315 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356521307 RHVUWCOPIAXOFJ-SDIKKSMWSA-N 565.746 10.076 50 1 KKGF CC(C=O)=CCCC(C)=CCCC(C)=C[C@H](O)CC=C(C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)CC[C@@]1(C)O 2356521421 XGRHDCURGCZZNS-BMJUUJJFSA-N 606.841 5.074 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NC1CCCC1)c1cccc(O)c1)CC(=O)CC2 2356656303 QPGKXWUIYZZOFK-GSSDHLSPSA-N 687.924 9.206 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C2CCCCC2)CSSCNC2=CC(=CCN2)[C@@H]1CN1C(=O)C=CC1=O 2356855954 RUYRWRIFRGKCNO-HJVUQVQLSA-N 756.003 7.138 50 1 KKGF CCCCCCCCCCCCCCCCS(=O)(=O)NNC(=O)C[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC 49888832 MQVHPUMPNXPCIB-CPBHLAHYSA-N 675.981 6.426 50 1 KKGF CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 66113732 YGCCGGKGNHKQGF-BBPHXPRPSA-N 545.448 5.052 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105828 XKLBRXIPEKTQOO-QUNBPGEXSA-N 593.721 5.642 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C[C@@H](O)CC[C@H]3[C@H]1OC4=O 150345623 VQZUFRCRXGMYCK-GNXBYIAGSA-O 835.985 5.624 50 1 KKGF biogenic,in-vitro CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)N2C[C@@H](Cl)CC(C)(C)C2)C1 473116715 XINQZTKNKBUFTN-GVQINVNESA-N 627.653 6.723 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(SC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587332034 ROEFKKNLFQLIOB-RBBKRZOGSA-N 527.333 6.793 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 587333072 UYCGQTBBULPWJR-UNMCSNQZSA-N 511.265 6.079 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1 587671503 SMLUESUVVJFZQB-BDJFWFNGSA-N 517.236 6.012 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587689188 QQTWLQMIRJELCN-WIKKSFEZSA-N 592.889 5.891 50 1 KKGF C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817691 DQIDFWNEBGFUGL-RUGGTOJCSA-N 510.491 7.816 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl 587848399 IGQFIGULRXSPLV-OVWNDWIMSA-N 574.137 5.861 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(c3ccccc3C(=O)c3cccc(NC(=O)[C@H](C)Cl)c31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673870 FFHUDVMRTQWANB-GPWHBBDMSA-N 649.065 6.823 50 1 KKGF COc1cc2c(cc1OC)[C@@](C)(c1cccc(NC(=O)[C@H](C)Cl)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674759 LPNNGTPXMMRYRO-YMGMXPECSA-N 561.000 6.250 50 1 KKGF CC(C)c1ccc([C@@]2([C@@H](C)Br)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1 963061722 FRTLWBTWOGBNIW-GWBNTLARSA-N 585.539 6.316 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](C)(c2ccc(COCCl)cc2)N1C(C)=O 963315931 IBXXZJCQHXEDNO-PFDXXMEMSA-N 752.242 5.466 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(C(C)(C)CC)N1C(C)=O 963328399 FPKIEIYFTNTYKI-NTBNWUQQSA-N 702.226 5.360 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCl)([C@H](CC(C)C)NC(=O)OC(C)(C)C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364429 FJXFRDRTIAXJFY-OGLWZABDSA-N 663.211 7.115 50 1 KKGF N#Cc1ccc([C@@]2(CCCCCCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1 963446328 JZEGFNCTEMICIE-DHIFEGFHSA-N 526.036 6.234 50 1 KKGF Cc1ccc(-n2nncc2CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1C 1772630663 JXZUIEYZJNCGAI-KXQOOQHDSA-N 626.680 6.053 50 1 KKGF O=C(OCCSSCCOC(=O)c1ccccc1)OCOc1c(Br)cc(Br)c2nc3ccccc3nc12 1857768881 GNLBQHYIGAUPKF-UHFFFAOYSA-N 668.385 7.036 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356301875 ZFWOABHUGDODTL-YJICWRDESA-N 903.269 8.641 50 1 KKGF C[C@@H]1CC=C[C@]2(CCC[C@H]3[C@@H]4C[C@H](CSSC[C@@H]([C@@H](C)O)CCc5ccccc5Cc5cc(O)cc(c5)C45CCCCC5)C[C@@H]32)C1 2356451060 SCXUEEWLUHQBFN-KZIBOFMKSA-N 659.058 10.925 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1O 2356453951 RSYMSFYFRRTHOX-HQXXZAEKSA-N 864.551 11.218 50 1 KKGF C[C@H](O)CNC[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC7CCCCC7)[C@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2CC[C@H]2CCC[C@H]12 2356455349 PDLRXGFFICXRSU-IHOSDWQWSA-N 991.463 9.429 50 1 KKGF COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@@H]6C[C@@H]7OC[C@]8(C[C@H](OC)[C@@H](O[C@@H]9C[C@H](OC)[C@H](O)[C@H](C)O9)[C@H](C)O8)OO[C@H]7[C@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O 2356509422 OKQKFNTWEWCEEK-MAVIEBTLSA-N 921.131 5.581 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](C[C@@H]1CC(SCCCS)=CC(=O)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356524049 OAIXKVOWLJHSOF-CDKYPKJRSA-N 893.558 16.517 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)CCC=C(C)CCCC(C)C 2356529556 JZWIUMRLWZVVKJ-RGEYYOIHSA-N 614.996 11.413 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]2SSC1 2356633378 VUUPOJPHCRSYIT-UVGCBOPLSA-N 750.215 12.857 50 1 KKGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCC=CCC=CCC=CCC)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356637841 HTDLEWJHDXOCTB-WQZDGXDCSA-N 638.842 7.381 50 1 KKGF CCCCCCCCC=CCCCCCCCCCCCCCCCCCCCCCC=C(C=O)CCCCCCCCCCCCCCCCCCCCC=CCCCCCCCC 2356737793 FPYNKFAOZMBOJV-UHFFFAOYSA-N 907.679 23.719 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)=C3CC[C@](C)(O)[C@@]2([C@H]3CCCO)[C@@H]1O)CCC=C(C)C 2356773368 XZZFPLVDTAYNMS-IDHPBAJLSA-N 753.040 6.634 50 1 KKGF O=C(Nc1cccc2ccc(O)cc12)c1ccccc1SSc1ccccc1C(=O)Nc1cccc2ccc(O)cc12 29474658 YPERVNZZJBFBQS-UHFFFAOYSA-N 588.710 8.708 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145615 LHQFHVUYBYKYEY-VOJJZETKSA-N 581.797 7.949 50 1 KKGF CCCCCCCCCCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCCCCCCCCCC 44323528 SVZNZXXPWCFHEP-UHFFFAOYSA-N 641.044 11.787 50 1 KKGF CCCCCCCCCCCCCCCCN(CC)C(=S)SSC(=S)N(CC)CCCCCCCCCCCCCC 49678906 DFOZONDQTJHZKP-UHFFFAOYSA-N 661.254 13.764 50 1 KKGF O=C(OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F)[C@H](Br)CCCCCCCCCCBr 49852138 YQNOLMMJKGFILJ-JOCHJYFZSA-N 646.375 5.956 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)C[C@]3(C)O[C@H]3CC[C@]2(C)[C@@H](Br)CC1 150212397 LCHQEOJZPPZCSD-QQCYLNIMSA-N 570.362 6.855 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H]1N[C@H](CCCO)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 150347653 PTFORQWEKBBGTN-XITDRHIASA-N 929.211 7.983 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CC[C@]3(C)[C@H]5C[C@H](OC(C)=O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC(N)=O)[C@@H]5CC[C@@H]3C2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(N)=O)[C@@]12C 169294280 AHRBQBWEEXRPCE-RLBSUZCTSA-N 895.232 9.493 50 1 KKGF C[C@H]1CC[C@H]2[C@@](CCCCc3ccccc3)(C[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169323551 PQWICQFZDCPUIL-AFHHHMQCSA-N 680.835 6.937 50 1 KKGF O=C(CC[C@@]1(C[C@H](OC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O 197912409 PTFZYEJKQVBHPZ-CPOWNQSXSA-N 700.660 7.409 50 1 KKGF COC1=C[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@H]6C[C@H]7OC[C@]8(C[C@@H](OC)[C@H](O[C@H]9C[C@H](OC)[C@H](O)[C@@H](C)O9)[C@@H](C)O8)OO[C@@H]7[C@@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O 255254155 OKQKFNTWEWCEEK-XAMQQAKYSA-N 921.131 5.581 50 1 KKGF C[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H]1I 299814340 DJBHCAQXADHLMR-WWDXGQGHSA-N 742.499 7.544 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 299826672 NAHXECAGIFJKER-CCLHPLFOSA-N 561.086 5.780 50 1 KKGF C#CCCCCOC(C)(C)[C@@H](Br)[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@@]4(C)O)C(C=O)=CC[C@@H]23)O1 473114721 PGITYIPZTFZBJK-LZXLPBHVSA-N 577.600 5.804 50 1 KKGF Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)nnn1Cc1ccc(Cl)cc1 587074781 YOZOMAADEJPHIX-UHFFFAOYSA-N 528.732 7.251 50 1 KKGF CC(C)(C)Oc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(N)cc1F 587136289 MNNAKXUZZLHPFL-UHFFFAOYSA-N 504.294 7.548 50 1 KKGF O=C(NC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 587237942 TUHGAQKSCHNFRB-UHFFFAOYSA-N 621.628 8.271 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)(C)C 587410254 WMUPIYGSOGMTHT-KXQOOQHDSA-N 721.963 10.249 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(C(Br)Br)C(F)(F)C(F)(F)F 587545140 GLFRBVMGLNRXHY-NHYWBVRUSA-N 532.053 5.406 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 587672770 HOHXVUIUZIYREJ-RKNYENMMSA-N 611.693 6.309 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 587684064 KDWCSJLQPGJABG-IYJVBRSBSA-N 533.268 6.598 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 587801239 FCAQEFASVRJXKL-GAYNMDSZSA-N 518.386 5.866 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 587844121 MHKQRKPKROCUQN-QKVFXAPYSA-N 574.151 7.252 50 1 KKGF O=C(CC[C@@]1(CCOC(=O)Nc2cc(Cl)ccc2Cl)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O 621429215 FVLASELMUCQBFC-GECXTHQFSA-N 624.562 5.668 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 962574523 UZXMOGXJEHKBIH-LQKHFFDKSA-N 698.002 8.383 50 1 KKGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@@](CCCCCCl)(c2ccc(Cl)c(Cl)c2)N1 962634467 KBJMBFAYOMTXDD-TZIWHRDSSA-N 510.767 6.534 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CCl)NCCc1cc(-c2ccccc2)ccc15 962672321 WMFLOCWNSQCPFG-BVWWTRBMSA-N 590.179 6.281 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](c2ccc(F)cc2)([C@@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 962698651 NNTBTNPVCHAQQS-GRSYGWAWSA-N 637.212 6.865 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(C)n1[C@H]1CCS(=O)(=O)C1 963034242 YTHFUCGFJJTJJW-KSPRJUKSSA-N 629.182 5.095 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cccc(N3CCCC3=O)c2)N1C(=O)c1ccccc1 963452669 YVZBHECGGMWUHK-SETSBSEESA-N 572.459 5.085 50 1 KKGF O=C(NNC(=S)Nc1ccccc1F)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 1911579595 RATHBSGZCUJXBA-UHFFFAOYSA-N 533.632 6.600 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]2SSC1 2356364089 PVQUNZQBGXLOBG-KIUIBOQQSA-N 642.031 10.517 50 1 KKGF CCCC[C@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@H](OC)c2cc(O)c1c(O)c2 2356399243 QSSPVYZUPDQNSI-PKXLOXRESA-N 815.869 7.954 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H](CNC5CCCCC5)[C@H]([C@@H]5C=CC[C@H](C)C5)C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356478094 RJWFQKZMUZGJFV-HHZLDYDSSA-N 874.216 7.860 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)C7)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356509268 JYGUYNQVUBUIKD-SSJPGKFYSA-N 950.317 6.696 50 1 KKGF C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]1CC[C@@H](C)C(C=O)=CC[C@@H](C)CC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C 2356551311 ZDANNBYRXLXFSO-QNBZHLDISA-N 622.931 10.061 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](CC4=C[C](N)NC=C4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356834933 RGZBZFYZZZBZBI-YPDVHBNZSA-N 852.201 7.439 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@@]23CCC[C@@H]2C=CC2=CNCN23)SSC1 2356835592 KTDKYMOLDUPUCK-KAXIAAHCSA-N 672.917 7.271 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356836875 LEOPHMYTMTZZMW-RUDRGLPGSA-N 639.968 7.292 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24CCCC[C@@H]3[C@H]1OC4=O 2356861455 UJFBSWKXEYVEHG-NAGZSFARSA-N 820.994 6.703 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@@H](C/C=C\CCC2CCCCC2)CC[C@@H]1CCN 85505529 FTTANVCMIDYINC-XTSGWAAOSA-N 666.050 9.739 50 1 KKGF biogenic,in-vitro COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCCC[C@H]3CCSS3)c(OC)c2)ccc1OC(=O)CCCC[C@H]1CCSS1 95551049 DPVWJNIHOZALNN-QOZXCWBXSA-N 745.019 9.198 50 1 KKGF Cn1cc(-c2ccc(S(=O)(=O)Nc3cc4c5c(cccc5c3)C(=O)OC4=O)s2)cc1C(F)(F)F 95581374 UCVOELAFAJEWTR-UHFFFAOYSA-N 506.483 5.037 50 1 KKGF CCCCCCCCCCCCCCNC(=O)C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 137135857 NAPCDHJLYZGYOO-DFEJUYRRSA-N 521.783 7.444 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@]14CC[C@H](CCC[C@H](O)C5CCCC5)[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 150349124 RGEBPLXVCYGLPF-LZEYRNNISA-N 943.265 9.274 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(O)(COC(=O)c3ccccc3)C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169357057 DUFMVCGCRWCPPO-YFGUZZHQSA-N 726.904 6.856 50 1 KKGF CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C4=CC(=O)/C(=C(\C)C=O)C[C@@]43C)CC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716323 WHZPDEFEIXIUMA-OAIYLXSLSA-N 911.190 8.688 50 1 KKGF COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(/C=C(\C#N)C(N)=O)s4)cc2n3C(C)(C)C)cc1 299828345 UQOZNVGULYNSJW-LFIBNONCSA-N 517.701 7.469 50 1 KKGF COc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1OC 473149172 IMDAJBBEGQUGJX-UHFFFAOYSA-N 578.810 8.121 50 1 KKGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)[C@@H](c4ccccc4)N(CCC(C)C)C(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 473160495 YEMSQDLCTUNITH-DWWNUFKHSA-N 622.898 8.539 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 586972779 BJMLAIVCTLVYLL-NRFANRHFSA-N 560.540 5.652 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587009401 DGEROPFPASAEMY-HNNXBMFYSA-N 515.717 5.344 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@@H](C)Cl)cc21 587460997 VUGCNFLIDXWDKA-GMYLUUGSSA-N 524.400 6.017 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(=O)C(C)(C)C)cc2)([C@@H](C)Br)N1 587671096 PROYJOPQVNVHIF-GJDIJTJZSA-N 527.272 6.101 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 587682555 CTXYFDNQYSDFKR-CANCMXDXSA-N 513.794 5.136 50 1 KKGF CCn1c(-c2ccccc2)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587686817 XQIDZRKRVVWBTP-CBZJRKILSA-N 511.866 7.246 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 587687681 HFOKMENDYVECKK-AKJBCIBTSA-N 503.887 7.136 50 1 KKGF FC1(F)Oc2ccc([C@]3(CBr)c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)cc2OC1(F)F 962629728 CELVEKLMDYOWSK-SQJMNOBHSA-N 563.389 6.029 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962769581 SGNFLRYABDTIAU-PBZMZIQDSA-N 622.434 5.257 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962921412 HKCLJLWFSIQJOZ-VBOOUTDYSA-N 553.453 5.405 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 963034217 YOHAWEDWRSFQLG-OMBCEYFDSA-N 736.294 5.745 50 1 KKGF CCOc1cc([C@@H]2C(C#N)=C(C)NC3=C2[C@@]2(CC(C)(C)C3)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 963199193 PPHYLTIYCYKLLS-HYOJFISVSA-N 711.815 8.098 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963474526 VRHZVWODKYHMKR-VRWULBFESA-N 701.955 6.189 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1ccc(Cl)c(Cl)c1)c1ccccc12 1772642045 OXFSHFNFURHZAM-BHVANESWSA-N 667.516 6.743 50 1 KKGF COC(=O)c1coc(Cn2cc(C[C@@H]3C[C@@H](CCc4ccccc4)C[C@@H](O[Si](C)(C)C(C)(C)C)C3)nn2)n1 1857579547 HNUZCBONGBFTRB-GIFXNVAJSA-N 538.765 6.083 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSSC3 2356298841 FMVGUUPJJBFKRF-RDUVQSCPSA-N 903.176 8.579 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356301146 RGHULZQWQPBEKZ-ZPPYOWFESA-N 941.318 8.420 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2 2356350838 KKLQZLJXVJEQQF-UYBKAROGSA-N 965.380 11.185 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@]4(CCC[C@@H]4O)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSSC[C@@H](C3)C[C@H]12 2356354361 ZPCRLURFSPEVRH-FCQXXLRWSA-N 740.176 11.295 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356359582 NZBOHSUFZFKXCP-JFHQODQYSA-N 719.020 5.559 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]4O)[C@]65C 2356372585 IHYWQHQHORQMJZ-GPESRRPXSA-N 896.222 5.925 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@@H]41 2356373945 KVYUQLUBYBPXHB-PMQMTDGTSA-N 920.296 6.229 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@@]12O 2356407874 NODWWAPGCKGBPS-OKINALGFSA-N 984.471 9.946 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356452609 WJKCYHWSJBLXDX-SOXXTWPESA-N 729.015 5.539 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C(=C6CCCCC6)C[C@H](O)[C@@H]5C)[C@]4(O)C3=CC(=O)[C@@H]12 2356490276 CHCDGNZXCSYHDX-RIRIKICFSA-N 756.132 6.760 50 1 KKGF CC(=O)O[C@H](C=C[C@H](C)CCC=C(C)C)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356592707 HLWDNSYLWSVZSK-UURVSRAKSA-N 516.763 7.039 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@]47CCC[C@H]4C[C@H]6CC7)C[C@H]1CC[C@H]3C2)C5 2356636863 YHUMZGPGMULWCL-QHPCDBLBSA-N 993.434 11.655 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@]5(CO)C=C[C@@H]6CCC[C@]67CN(C(=O)[C@@]357)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356778302 QZNUMYQAZCFTAJ-UVXYBCOVSA-N 972.320 7.038 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CN[C@H](O)[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356818594 DUKRIICPEYRVKR-QLQJYAKCSA-N 955.121 5.291 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@H](O)[C@@H]3C[C@@H]1CC[C@H](C3)C2 2356823875 GPRGZRZKDVPHSP-SYMOLNPDSA-N 828.154 6.335 50 1 KKGF CC1=C(Br)C=C(C#N)C(=O)[C@H]1Cn1cncc1COCc1ccc(C#N)cc1-c1ccc2c(c1)OCO2 43462788 REKOQYFDMOSCNQ-DEOSSOPVSA-N 557.404 5.185 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 85627324 RIWIQZBJCOZPIZ-JGICCPCNSA-N 719.027 6.588 50 1 KKGF biogenic,in-vitro C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@H]2Cl)C(=O)N[C@H](CO)Cc1ccccc1 100722582 DBWPNUKBARPCAA-PBUWVKKWSA-N 564.126 5.101 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H](c1cccc(O)c1)c1cc2cnc1N 103529731 JSBSDRTYRLAMKE-IKRXISRDSA-N 602.778 6.986 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@]13CC[C@@H](C[C@H]1O)[C@H](CC(=O)CC2)O[C@H]1N[C@@H](CCCO)[C@H](CSSC3)C[C@H](CCO)c2cc(NCC(C)=O)c(CO)cc21 150347637 DZIDHAUNYUWZSY-IDYKEALKSA-N 993.345 8.802 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@@H](CCc1ccccc1)CC#C[C@H]1/N=C(\N)N[C@@H](C(C)C)CSSC[C@@H]1[C@H](CO4)C3)CC[C@@H](O)CC(=O)CC2 150348384 YDNBBZWIYBSGKW-QUCBGZOFSA-N 851.148 6.388 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 150348662 YASGUXKYKLJBRB-PXRKGAGSSA-N 943.374 10.713 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(=O)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169290002 VMDPKVPTUTUSNH-YGXGVCDDSA-N 590.754 5.837 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 169363554 ZYNDZWJYJYLFBP-UBBSOTDYSA-N 540.716 7.099 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 253664620 GXXCHGXPDJFXGQ-PQRWXPCCSA-N 557.171 7.613 50 1 KKGF CC(=O)O[C@H]1[C@H](Br)C[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@@](C)(Br)CBr)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C 299805935 FNYVFEZHSGPCEJ-HUHJTXOMSA-N 737.452 9.006 50 1 KKGF Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586957547 AVEPWGRYBJXRMT-UHFFFAOYSA-N 516.510 5.467 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 587672247 FGXUFMOQVYSPNK-SBKAZYGRSA-N 549.065 6.723 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 587685623 RAOLFJODDKJMQM-CPJLOUKISA-N 501.827 5.982 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587689948 XXIDWLOXDUOTSW-MQNRADLISA-N 505.859 6.411 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(I)I)(C(F)(F)F)N1 587740556 YHWXYPDAVAKQOQ-ULHQUTTKSA-N 577.923 5.076 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(OC(F)(F)F)c1N=C=S 587891842 PYRHJSHRZDJSIE-UHFFFAOYSA-N 538.172 6.099 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CBr)(c2ccc(-n3cc(Br)cn3)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962474821 LMTGQSDYNPUNTR-QIKUIUABSA-N 714.414 6.929 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 962713202 NYQUHLVTNAMHBA-SJKOYZFVSA-N 597.987 6.249 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963071496 JNGXLVXLLRXUNP-GXJHCLHJSA-N 845.167 8.725 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCCCCCl)(c2ccc(F)cc2)N1 963157900 AJVBQDFMEIHDJF-VQIIKMDRSA-N 648.222 8.149 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(C13CC4CC(CC(C4)C1)C3)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809753 XTUQZVZUTBKJGF-XIEAYTLZSA-N 591.546 6.259 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1857543453 NVJOGJQUYIMSQB-YZRKUJAWSA-N 620.662 5.980 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccccc1 1857644027 SURQNSKCFJSZNE-ILOJKGLCSA-N 641.809 7.556 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@@H]1c1ccccc1 1857772006 GQRJDTFMMWUKIQ-GHFHSQNBSA-N 546.664 5.971 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(Cc2ccccc2)s1 1911583751 SOYFDFGPYFIHGY-XDJHFCHBSA-N 537.022 5.096 50 1 KKGF N#CC=CC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl 2356309197 KVMLHQMSRDTODS-UHFFFAOYSA-N 513.603 6.901 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](c2c[nH]c6cn(cc26)[C@@H](O4)[C@@H](C#C[C@@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@@H](O)C1 2356352789 BHPJUHRJMWNEQT-XMQAYRMCSA-N 941.229 8.448 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356357132 GTBOFIDDSYJTQI-JCQLXSLESA-N 559.886 6.756 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356493658 ANPOGWGODPOCJF-FGMFBBRHSA-N 885.240 7.069 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)C7)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356509267 JYGUYNQVUBUIKD-RWBFJTHGSA-N 950.317 6.696 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4Nc5nccc6c5C5=C4CC=C5[C@@H]4CCC[C@]64C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356567122 HWPCPVHAJCTSBL-CUJBIWEISA-N 848.996 5.101 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@](O)(CO)[C@H](O)C5 2356617186 TZWJZVHRKFAOMT-MOBOIZCSSA-N 884.211 5.579 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(COO)=CC[C@]4(C)CC[C@]23C)C1(C)C 2356858715 SOXWWZWVGOHVRN-OJDFFAQMSA-N 500.764 8.065 50 1 KKGF C=C(c1ccc(Br)cc1)[C@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653323 LWPHQIZHZGFZCD-NWRVWBJVSA-N 543.410 6.305 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](NC[C@H](O)C4CCCCC4)[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344114 MUIWYRWCAIBLJM-BSYSMDETSA-N 949.293 10.179 50 1 KKGF biogenic,in-vitro O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2nc3cccnc3[nH]2)c(SSc2cc(Cl)c(C(=O)Nc3ccccc3)cc2S(=O)(=O)Nc2nc3cccnc3[nH]2)cc1Cl 150578549 UWUVKHYTJLEFHF-UHFFFAOYSA-N 917.864 8.442 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCCCN1CCN(CCCNC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)CC1 150595326 WHWWYXIICVRAFS-UHFFFAOYSA-N 841.100 6.295 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCSCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169303016 SONOEGJPRKBJAA-CANBOLOQSA-N 622.865 7.001 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@]1(OC(=O)c1ccoc1)C(=O)CCl 253635658 ZMCKAHOCNZBGEK-HSFYZHTISA-N 539.883 6.116 50 1 KKGF 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CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@@H]1[C@H]2CC[C@@]4(C5=CC[C@H](C)CSSCNC6=CC(=CCN6)[C@@H](CN6C(=O)C=CC6=O)C2=C4C(=O)O5)[C@H]31 2356874721 YYPGCROZKYDYLW-JLYDCXCPSA-N 713.922 5.968 50 1 KKGF CCOC(=O)c1cc(COC(=O)Nc2cc3c(c4ccccc24)[C@H](C(=O)c2cc4cc(OC)c(OC)c(OC)c4[nH]2)CN3CCl)c([N+](=O)[O-])n1C 27642029 YKUYVCMQDSXLID-JOCHJYFZSA-N 720.135 6.502 50 1 KKGF O=C(Nc1ccc(-c2ccc(OC[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1)c1ccc(CCl)cc1 29046527 KHXIBYDWGCHYPP-SSEXGKCCSA-N 576.003 5.576 50 1 KKGF CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3CC4(CC[C@@]32C)OOC2(CCC(C)CC2)OO4)[C@H]2CC[C@H]([C@@H](C)CCC(N)=O)[C@@]12C 38157942 SFYMERLVGXDHSO-QFVKMQRQSA-N 633.823 6.143 50 1 KKGF COc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1 44305246 LOGBHEYCSOITDE-UHFFFAOYSA-N 589.523 8.344 50 1 KKGF CC(C)Cc1cccc(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 85549303 ZGLHXDSQOOGGIK-UEUPXYNUSA-N 722.118 8.042 50 1 KKGF biogenic,in-vitro 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C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 169313924 RTXKTKRGKVRWLV-OKKKAGAFSA-N 557.569 7.754 50 1 KKGF COC[C@@]1(CCCCCI)C[C@@H](C(=O)OC)[C@]2(C)CC[C@@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 473126182 ZKIYNWJCXRAJTI-QASJVYOVSA-N 614.517 5.697 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545992 UMGZXVJATCPNOU-ICTDUYRTSA-N 548.850 6.545 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@@]1(C)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587616166 IYPKSXCEZZPYPH-CJDLUVGHSA-N 979.170 7.322 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587670462 KPJUELBWGYBWAX-WIKKSFEZSA-N 637.340 6.047 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 587672208 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O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCCCCCCl)(c2ccccc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963070205 CQJVMSQDEKEDBS-BUZXVGNNSA-N 814.699 10.729 50 1 KKGF Cc1ccc(C(=O)c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3o2)cc1 1857640426 JFDCFNJWLZSLNI-AREMUKBSSA-N 508.618 6.721 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@](O)(CO)C[C@]35C 2356351460 XXDIHKOAZOQJKK-VAZZVGCKSA-N 938.259 5.106 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1Cc2cccc(c2)C[C@H](C)NCC2=C[C@H]1CCC2 2356357858 VGLJIRRXURVOGW-OBKNVPKHSA-N 701.005 5.933 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2)C[C@@H](C)O 2356406801 HLPQTBYALSDBMP-GDDQDPIPSA-N 918.279 10.763 50 1 KKGF CC[C@H](C)C[C@H](C)C=C[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](CC=C(C)C(C)=CC=O)(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356448454 DRBMJJASDPWRHG-HYMMCLRPSA-N 610.835 8.302 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356469602 UHFDAENQNSFKSB-JFIDLMNTSA-N 685.087 11.864 50 1 KKGF CC(C)=CCC[C@]1(C)[C@H](Br)CC[C@]2(C)C[C@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)CC[C@@H]12 2356520596 RZJNPKNBRGXJBV-CEWUDQLRSA-N 505.493 6.536 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@](O)(CO)[C@H](O)C[C@@]6(CSS[C@H](CO)[C@@H]7CCC[C@H](CO)[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@]7(O)C3=CC6=O)[C@@]54C 2356745155 HZMAAVNHGLDJKX-MCHOGNGOSA-N 964.297 5.497 50 1 KKGF C[C@@]12CCSSC[C@]34NC(=N)NC[C@@H]3[C@H](c3ccccc3)CC[C@@H]4CCC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356768748 UWCFAEXKYVXXIZ-XDQBEWRBSA-N 623.929 5.911 50 1 KKGF CN[C@@H]1CSSC[C@H]2c3cc(O)ccc3[C@@]34[C@H]5[C@@H](CC[C@@H]52)C[C@H]3CC[C@@]42[C@H](O)[C@H]1C[C@@H]1[C@@H]3C=C[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@H]12)[C@]34O 2356770014 UGPOFNVSBFMNGC-KLNLXZNASA-N 945.169 6.168 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc4c3[C@H](NC[C@H](C)O)C(=O)N[C@@H]4N)=C3CC[C@](C)(O)[C@@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C 2356771399 WUUGEGBQXCYDHI-ZALUKJATSA-N 824.163 5.673 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@H](O)CCC(C)C)c(=O)oc3cc1O2 2356810691 BAONDWVZEZWXJH-MZEAYWAYSA-N 955.253 6.205 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C6CCCCC6)CSSCNC6=CC(=CCN6)[C@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356855953 RUYRWRIFRGKCNO-DOGYHDKSSA-N 756.003 7.138 50 1 KKGF CNC[C@@H]1CC[C@@]23O[C@@H]2CCc2cc(N)nc(c2)-c2cc(CN4C=C5N=CC=C5C4)[nH]c(=N)c2CSSCC[C@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@@H](C1)[C@H]2OC3=O 2356862842 UNVHOQWTQVGLQV-IAQPHELPSA-N 864.063 6.148 50 1 KKGF CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(N(C)CCCl)cc6)nc5c4)nc3c2)CC1 5742258 FHJOVCXYDFJSID-UHFFFAOYSA-N 500.050 5.200 50 1 KKGF CCOC(=O)c1ccc(N(CCCCCCCCCCCBr)C(=O)OCc2ccccc2)cc1 29212059 VJACEBFYWOVSIX-UHFFFAOYSA-N 532.519 7.912 50 1 KKGF C=C(c1ccc(OC)cc1)[C@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 44086634 YATYPXRGTQGFLI-GQJLTBPJSA-N 578.878 9.873 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 150347688 ZNFDPSHWAGMTAU-RZGIAXLMSA-N 931.227 8.420 50 1 KKGF biogenic,in-vitro COc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NNC(=O)C[C@@H](NNC(=O)OCc2ccccc2)C(F)(F)F)cc1OC 150613781 QTOZFWPPTDNEDD-BZKUTMRRSA-N 749.743 5.053 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1 169319720 QMMNPJKVOZYGDW-LAMLPGAKSA-N 634.777 6.162 50 1 KKGF CC1(C)Oc2ccc3cc(C(Br)Br)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 169361189 XVPZWHVQUMJAAP-NJYMXLKTSA-N 794.486 6.492 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O 238732777 CHCVEXNSFVRPDV-OOXZQBBASA-N 654.973 9.496 50 1 KKGF CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1ccncc1)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=O)C(F)(F)F 473113262 IFXPTQNMJDOJDS-FVBRKADRSA-N 514.592 5.485 50 1 KKGF COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)NN)cc4[nH]3)cc2)c(OC)c1 587221903 WQQMNYDBDDHXJJ-QNGWXLTQSA-N 669.738 6.391 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 587324539 RAFRGMDBCCVVCY-WGHVJBFBSA-N 501.941 6.032 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570300 OFQFHTXFGVYJLE-WJHUMQGDSA-N 737.217 6.183 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Br)([C@@H](C)Br)N1 587671306 QKVSAZZSGVHCPG-YRUZYCQGSA-N 506.051 5.912 50 1 KKGF CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587682835 DSXFEDGVCCJDAF-UTGBPFGBSA-N 681.039 6.679 50 1 KKGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F 587712152 OATOKKQEURQSSU-XTZNXHDOSA-N 511.151 5.788 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 587738369 NTPMEIAGUXBDPB-LHEBDHONSA-N 729.340 6.443 50 1 KKGF COc1ccc(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(OC)cc34)c(F)c2)cc1 653703936 JYQQYBMMGJOATQ-XICOUIIWSA-N 603.651 5.440 50 1 KKGF COc1cc2c(cc1OC)[C@](C)(c1ccc(COCCl)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679364 RNWUDQAFCGANNC-MHZLTWQESA-N 533.974 6.398 50 1 KKGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962705839 HARKKRCKSBHDHA-WGWMKDMLSA-N 715.241 6.353 50 1 KKGF CC1=C(C#N)[C@H](c2cccc3ccccc23)C2=C(CC(C)(C)C[C@]23N[C@H](C(=O)O)Cc2cccc(F)c23)N1 962907632 HYSUUOOARPMEHN-ITKPRSQTSA-N 507.609 6.032 50 1 KKGF Cc1csc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c2C)n1 963184216 QVELKSHDMBMTAC-IIBYNOLFSA-N 518.388 5.613 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(C)c1C 963192360 UCETYLOTJHUXLD-BFGHFXMOSA-N 570.085 7.256 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(c1ccc([N+](=O)[O-])cc1)[C@H](Cl)C(=O)Nc1ccccc1 963205146 NHLBFSHPIFQMNF-XQKNLLDYSA-N 537.019 6.207 50 1 KKGF CN(c1ccc([C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1)S(C)(=O)=O 963216853 CLBAKCRQOIRTPC-IPZQJPLYSA-N 737.143 5.347 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCCCl)c1ccc(Cl)c(Cl)c1 963903669 DEKNPHIATZCERO-BCHFMIIMSA-N 526.888 7.201 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948319 SHDPDCINCUVJHB-LKBCJMQPSA-N 671.285 5.285 50 1 KKGF CC(=O)OC[C@H]1O[C@@H](Oc2ccc(NC(=O)c3ccc(NC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)cc3)cc2)[C@H](F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 1857646083 ZFPUXOJZYATOCP-FBBCAKTNSA-N 804.696 6.053 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CCCO)c(=O)oc3cc1O2 2356293576 IUFWCOHHMYFIKU-KKCRIECVSA-N 761.963 5.118 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)[C@]5(CCC[C@H](CC=O)C5)SSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356309803 OGHIGAWPFFMXBZ-ZVTBYOCASA-N 778.986 8.014 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](C(C)C)Cc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC)C3)c2)N1 2356365139 GBJSZTWRNAFNKA-QJMTUAJOSA-N 785.086 6.907 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@H]1[C@H](O)C(=O)O 2356471508 YMYYGTOIPCUGBB-IXBGVHRKSA-N 716.019 5.508 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5[C@H](C[C@@]67CCC[C@@H]6[C@@H]5CC[C@@H]7[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356600237 FLXDJURQBXYETA-QUXHAXDFSA-N 998.321 8.562 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](CN2C=CNC2)SSC1 2356805903 AEGHNFCSANQAJG-GDJIYFAZSA-N 568.765 5.087 50 1 KKGF O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1)c1cccc2ccccc12 14962042 AHMSLYTXWAPXRM-GDLZYMKVSA-N 595.834 8.122 50 1 KKGF O=C(SC[C@@H](CN1CCCC1)SS[C@@H](CSC(=O)N1CCCCC1)CN1CCCC1)N1CCCCC1 28872866 INQMULBWBLBPFI-DNQXCXABSA-N 574.948 5.975 50 1 KKGF c1ccc2ncc(CNCCCCCCNCCSSCCNCCCCCCNCc3cnc4ccccc4c3)cc2c1 29396677 HLMDIOOQPJLJGL-UHFFFAOYSA-N 632.988 7.344 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CCC(C)CC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@@]12C 44069642 DSTKEHHFFXVWTJ-BSRITLQKSA-N 576.771 7.201 50 1 KKGF CCSS/C(CCO)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCO)SSCC 84759377 IOYIRKPOMAVRMW-LBXGSASVSA-N 609.002 7.835 50 1 KKGF C[C@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSSC[C@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H](C3)C2)C1 85543518 ZUTGYYMJMBNNFI-CDLJLICOSA-N 535.863 8.424 50 1 KKGF biogenic,in-vitro COc1c(O)c(OC2CCCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@@H]4[C@H]2O)O3)c1O 85567664 MYXJGAGPAMHZKR-XGXYRENQSA-N 781.002 7.831 50 1 KKGF biogenic,in-vitro CC(C)CCc1c2oc3c(c4c(c(OC5CCCC5)c3c1=O)[C@H]1CCC[C@@](C)(O)[C@H]1O4)CSSC[C@H](N=C(N)N)C[C@H]2O 85594383 HDQFXYHJZGYSJY-ZPXRLXNFSA-N 631.861 5.443 50 1 KKGF biogenic,in-vitro C=C1/C=C/C=C(\[C@H]2C[C@H]3CCC[C@@]4(O)CC/C(=C(/C)C=O)[C@@H](CCCO)[C@@]34[C@@H]2O)COCC#CC/C(C)=C/CC1 103525664 UPJQANFHDWEHKL-PHROIEQJSA-N 548.764 5.772 50 1 KKGF biogenic,in-vitro CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](O)[C@H](C4CCC(CCCO)CC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344085 LFFRSPWFUDRLRT-REIHZMRFSA-N 882.158 8.639 50 1 KKGF biogenic,in-vitro CCCCCCCC/C=C\CCCCCCCCCC(=O)OC/C(=C/C#N)COC(=O)CCCCCCC/C=C\CCCCCCCC 238742743 NPRBNFQTTPCYHZ-VHWXONJASA-N 670.076 13.378 50 1 KKGF O=C(N/N=C/c1ccccc1O)c1ccc2c3c(ccc2c1)N1Cc2c(ccc4cc(C(=O)N/N=C/c5ccccc5O)ccc24)N(C3)C1 299861479 IGYBTVQKYKVPCU-SZTDCLKKSA-N 646.707 6.230 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057570 VKZHIIPPTAEKKF-HMAPJEAMSA-N 511.412 7.572 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F 587331452 QKLFVKABDOYGHH-JTHBVZDNSA-N 525.292 6.208 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 587744098 YTPYSLFYLYNFGL-ZQHDKMAOSA-N 557.467 6.517 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1cccc(Oc2ccccc2)c1 618017179 HOWFARFNNLLIKW-RPBOFIJWSA-N 634.651 6.406 50 1 KKGF COc1ccc2c(c1OC)[C@]1(c3cc(Br)ccc3OCC[C@H]1Br)N(C)[C@@H](C)C2 962632432 ROFOMMLULZAZEY-NCNFXNTHSA-N 511.254 5.132 50 1 KKGF COc1ccc2c(c1)c([C@]1(CCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N13)c(C)n2Cc1ccccc1 962671779 SRZYZKKSDACHDU-LQJZCPKCSA-N 554.090 6.136 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCCCCl)(c1ccc(Br)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962675782 OZXVDWXVTWEFTK-SSEXGKCCSA-N 638.952 8.617 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1C(=O)c1ccc(Cl)cc1 963022175 OSHIMRJSUBAMOI-BKMJKUGQSA-N 568.811 5.520 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963168105 FXAGOSUFQLAJPZ-RJWMVNQGSA-N 612.826 5.865 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1C(C)=O 963305544 YWGFLOXSDQFSEG-WYPDUJPZSA-N 880.855 7.429 50 1 KKGF O=C(CCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc(-c2ccc(C(=O)C(Cl)Cl)cc2)cc1[N+](=O)[O-] 1857537745 LDWMKZXIRQZZAZ-UHFFFAOYSA-N 685.564 8.708 50 1 KKGF Cc1ccc([S@](=O)C2=C(c3ccccn3)OC(NC(=O)C(F)(F)F)=C(C#N)[C@H]2c2ccccc2)cc1 1857644436 KCONWLXCQBTLEI-VLAOEWOHSA-N 509.509 5.094 50 1 KKGF CCCCCCCCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1 2356334883 OTVIJJKBILNRLT-RJHRCYDASA-N 599.293 7.964 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@@]35C 2356354588 NBALYTNGTUZSEA-WUUIOCLSSA-N 878.207 6.383 50 1 KKGF CN[C@@H]1CSSC[C@H]2C[C@@H]3CC[C@@H]4CC[C@@]5([C@H](O)[C@H]1C[C@@H]1[C@@H]6C=C[C@H](O)[C@]7(O)O[C@H](C(=O)Oc8c(CO)[nH]c9ccc%10cc%11ccccc%11cc%10c89)[C@H](O[C@H]15)[C@@]67O)[C@@]34c1ccc(O)cc12 2356357027 PSXSXWANWOHISL-GOQZQKHMSA-N 919.131 5.922 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@@H](C)NCC2=C[C@H]1CCC2 2356357856 VGLJIRRXURVOGW-NJAGGCSZSA-N 701.005 5.933 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356359139 DNFFRHFBFSPDCH-DYVIRLCHSA-N 861.174 5.059 50 1 KKGF NCC[C@@H]1CC[C@H](CC=CCCC2CCCCC2)[C@H](Cc2ccccc2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356360935 RMKOUIASISYAKQ-KGORLCIQSA-N 621.997 10.132 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)CC[C@]12O)C[C@]3(C)O)CCC=C(C)C 2356362637 DHUQOBXHRXABQQ-XSQFSQBZSA-N 536.753 5.526 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC2(CCCC2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356367397 BURDDWVCGZLHHY-CAJWITTFSA-N 968.428 9.453 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSSC[C@@H](C3)C[C@H]12 2356372828 NDMKFIDVESFROG-KYIXBXTRSA-N 670.085 11.154 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356469601 UHFDAENQNSFKSB-AXLIULAZSA-N 685.087 11.864 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](CCOC)C3)c2O)C1 2356487097 OPPJIYPQDGXOJL-FHFHWKTFSA-N 797.141 8.513 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC2(CCCC2)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356517528 MPPAHWJMGKOSKV-RQYAVZOJSA-N 892.330 8.506 50 1 KKGF C=C1C=C2C=C[C@]3(CC[C@]4([C@H](CCCO)C(=C(C)C=O)CC[C@]4(C)O)[C@@H]3O)C(=C2)COCC#CCC(C)=CCC1 2356597616 OGNSKUPOUFFPAD-VABIIVNOSA-N 546.748 5.692 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356673041 GBRNLMZUGJLBJN-WNYYCVEASA-N 931.227 8.593 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@@H]1C#CCc5c(cc(OC6CCCCC6)c(O)c5OC)[C@@H](O2)[C@H](O)[C@H]31)C4 2356707225 LVLRSWOHMDJIRP-FGZUUCDXSA-N 714.946 8.841 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@H](O)CSS2)c1ccc(NCC(C)=O)c(CO)c1 2356710844 XHKHKSSXYJREOX-SIPYIPATSA-N 760.975 7.212 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356768673 RGBYPNPZOQFIBQ-VQCXKXHKSA-N 875.201 5.102 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C2(CCCC2)SSC[C@H]1c1cc[nH]c1 2356779525 VAUAYSYPOZVOEG-KJNQLLBQSA-N 559.794 7.392 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 2356835891 KVGFOFZVYGPUBL-AWTPOVSUSA-N 780.929 5.607 50 1 KKGF CC(C)=CCC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)[C@@]34C=C[C@]5(OO3)C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@]12C 2356852759 QTEGGQUMNWUDAN-JDPSIBRESA-N 500.676 5.354 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356856279 RZJAKKCBCURJHR-HMXXCEDJSA-N 845.005 6.122 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356863575 VGZPOLCBYXXNEH-ZDCURWKJSA-N 815.071 6.045 50 1 KKGF CN1CCN(c2ccc3nc(-c4ccc5[nH]c(-c6ccc(N(CCCl)CCCl)cc6)nc5c4)[nH]c3c2)CC1 27431631 BGUPMWNOAXIUCI-UHFFFAOYSA-N 548.522 5.809 50 1 KKGF COc1ccc(/C(=C\c2cnn(-c3ccccc3)c2)C(=O)N/N=C/c2ccc(Br)cc2)cc1 40395604 CXAUBPZXSSIFKM-HDQOQCMRSA-N 501.384 5.334 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCOP(=O)(OCCC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)Oc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95542902 SQOLELGMLMBYCG-VGPWWDKCSA-N 790.928 9.268 50 1 KKGF Cn1cc(CCC(=O)NCCSSCCNC(=O)CCc2cn(C)c3ccc(Br)cc23)c2cc(Br)ccc21 95578124 GWSKXHHNKPYXJE-UHFFFAOYSA-N 680.532 6.374 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2cccc(Cl)c2)c1 103184458 AAYUILPTCLRKIS-DHIUTWEWSA-N 587.257 6.299 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169367174 JTXHATPLRKWRIJ-PMFCRFFKSA-N 525.436 5.580 50 1 KKGF O=C1C=C(SSC2=CC(=O)C(Br)=C[C@]23CCNC2=C3c3nccc4c[nH]c(c34)C2=O)[C@@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br 238785265 HDDXRVGNFMMKJS-LQFQNGICSA-N 826.552 6.249 50 1 KKGF Cc1cn([C@H]2C[C@H](NC(=O)C(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473136941 VLHHZHMOZYCCLW-OJDZSJEKSA-N 625.842 6.086 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056195 KGUIUOYNETXPDR-UYRXBGFRSA-N 556.475 5.362 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057662 WHJAEWFEIRHKKT-RGVLZGJSSA-N 661.501 8.623 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587320905 HNUNBLVOWNMFOK-IXCJQBJRSA-N 519.366 6.973 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2scc(Br)c2Br)[C@H]1c1ccc(F)cc1 587377901 SVHHUVFQIZKGBQ-OXJNMPFZSA-N 546.639 6.611 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1F 587559835 ZKAQBEBZCFEWFE-WIYYLYMNSA-N 508.137 5.546 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 587687279 YTFRVGQCHDNKMG-XLFHBGCDSA-N 517.053 5.496 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 587715927 YQDLIQRIRNOXKM-CQLKUDPESA-N 517.105 6.058 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 587730323 FHDQUDCILAQJCC-DLUDVSRJSA-N 501.802 6.892 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12C(C=O)=COc1ccc(Br)cc12 961772221 BUBMDXJCGSACPL-SANMLTNESA-N 511.416 5.319 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3ccc(I)c(C(F)(F)F)c3)N12 962658257 CMTVBOPBGOANTG-FGZHOGPDSA-N 619.219 5.595 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 962707685 XZVHRCHNMNLGPI-RHSMWYFYSA-N 590.003 5.565 50 1 KKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)c4scnc4C[C@@H](C(=O)O)N3C(=O)OC(C)(C)C)c2C)cc1OC 963148053 OYPXFAMWZIQDTG-DCFHFQCYSA-N 562.088 5.297 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(C)n(CCc3cccs3)c1C)NCC21CCOCC1 963189092 LKBNPOANDRMPRJ-MUUNZHRXSA-N 515.119 5.560 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@]2(CCl)c2ccc(CC(=O)N3CCOCC3)s2)c1 963553044 QSMVANUIFGJCFR-WJOKGBTCSA-N 657.114 5.303 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CCl)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 963841264 KOOABQFTBABVBO-HLADLETHSA-N 591.963 7.828 50 1 KKGF 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595.871 6.238 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356530948 XJRGTPCJNAGVTK-FMTFLXOSSA-N 739.010 5.193 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC)[C@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2[C@H]2C=C[C@@]13CCC[C@H]3C2 2356683921 GQNSPINKPVRSQB-BJGXUHNKSA-N 990.435 7.795 50 1 KKGF CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC2([C@@H](C)O)CCCC2)c(CO)c1 2356699556 BBHGZZVGKSNNDU-WYUCEIQBSA-N 775.046 8.785 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356769554 IAHRYXGYGVKKCV-AJWXIOOLSA-N 777.018 7.823 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c(O)c(OC)c1O 2356779145 MNHVTROLHFBJLR-FYAKGEPHSA-N 626.793 6.916 50 1 KKGF CC1=C[C@@H]2O[C@H](OO[C@@H]3O[C@@H]4C=C(C)CCC=C(C)CC[C@@H]5O[C@]5(C)CCC4=C3C)C(C)=C2CC[C@]2(C)O[C@H]2CCC(C)=CCC1 2356801791 QUTQBDXTYWLOSB-DIJJSZPWSA-N 634.898 9.826 50 1 KKGF CCCCC[C@@H](C[C@H](CCc1cc(OC)c(O)c2c1CSSCN[C]1C=C(C=CN1)C2)OC(C)=O)OC(C)=O 2356849461 FOQFWLURLSHAGS-ZEQRLZLVSA-N 577.789 5.685 50 1 KKGF COc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)n2)cc1OC 49808435 RGSRLTSYMYFGTE-MBTHVWNTSA-N 516.489 5.031 50 1 KKGF CCCCCCCCCCCCCCCCOO[C@H]1C(C)=C[C@@]23C[C@H](C)C[C@@H]4[C@H]([C@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C 70455549 QOKNELXJVFYQBT-SCWONXGFSA-N 602.897 7.643 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC[C@H](C)O)c(CO)c1 85597327 ASNSDUXCOHSAPN-ZXGUZNLYSA-N 736.953 6.443 50 1 KKGF biogenic,in-vitro COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C(C)(C)C)CC1)OO2 150522579 ZSWHWOUNGHFRGZ-AWVVZGPKSA-N 690.915 7.857 50 1 KKGF COC(=O)CNC(=O)[C@@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1ccccc1 169299383 WMFPPJMMRJGXDP-DANNYKCUSA-N 853.063 6.848 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cccn2C)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253851613 ISKQMPRXCVXJIK-UZZBJJBXSA-N 576.517 5.186 50 1 KKGF CC(C)=CCC/C(C)=C/C=C\C(C)=C\C=C/C(C)=C/C=C\C=C(C=O)/C=C\C=C(C)\C=C/C=C(/C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255222898 KMCAYUSNEOYNIP-MISGAKFKSA-N 731.027 9.136 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(SC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587332036 ROEFKKNLFQLIOB-UNMCSNQZSA-N 527.333 6.793 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(-c3ccc(Cl)c(Cl)c3)no1)CC2=O 587456568 RGKNVLVRLMZYLB-JOCHJYFZSA-N 511.199 6.562 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Cl)cc1)[C@H](Br)c1ccccc1 587539530 WWSNIBJPKIBZFN-RNJDCESWSA-N 521.794 7.039 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1ccccc1 587546208 UYASOTUNDVJHBR-UFHPHHKVSA-N 502.954 5.290 50 1 KKGF O=C(CCl)NCc1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587548714 VGMUYGBANLPYMR-SQHAQQRYSA-N 568.807 5.508 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Br)c1F 587566814 BFJKKPBNHXBNCJ-LAUBAEHRSA-N 508.137 5.546 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 587672459 FYUBXVSIFKBNIX-GCQGFVAMSA-N 524.110 5.914 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@]5(N[C@@H](C)Cc6cc(Br)c(F)cc65)C(C#N)=C[C@]34C)[C@]1(C)CC2 587741786 PDBOAUQQSYJESI-FYAAJJJJSA-N 719.780 9.141 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 587848474 WLZXXZMFHMVLGA-RZFZLAGVSA-N 546.849 5.577 50 1 KKGF CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O 587941928 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C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1ccccc1 2356561369 AHYUEYJOUFLGQN-IIJNULMASA-N 611.918 5.740 50 1 KKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@]43C)[C@H]12 2356587108 YRXMJZHBWIPRHC-VEHAINQZSA-N 540.785 7.318 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@](C)(O)[C@@H]2CCN(CCCOC)[C@H](CC)C2)O3)O1 2356695628 OQAQBBFCWWMJQA-LOXODTEUSA-N 869.065 6.871 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)c(O)c(OC)c1O 2356769989 SZKWIAZIGKCVOY-IKSWIBJUSA-N 682.857 6.811 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)CNC[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)[C@H](c3cc[nH]c3)CSSCO[C@H]2[C@@H]1O 2356815014 CNNKGXLWRUKTHU-MYPABKRLSA-N 865.039 6.951 50 1 KKGF CC(C)=CCC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@]1(C)CC=C1[C@@]23C=C[C@]2(OO3)C(C)(C)[C@@H](O)CC[C@]12C 2356852758 QTEGGQUMNWUDAN-IEUOKGHYSA-N 500.676 5.354 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@@H](O)C1 2356869112 XIASLSSGVLJQBR-WKXBLAMJSA-N 869.122 6.383 50 1 KKGF CC1=C(OCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 95563430 MWCNLHHWRTXUJG-UHFFFAOYSA-N 589.736 8.471 50 1 KKGF Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(CO)c1O 96908093 PDLGHSJAVAOQCH-UHFFFAOYSA-O 689.776 7.576 50 1 KKGF CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCCCCCCCBr)(CCCCCCCCCCBr)C3)c2ccccc21 98084398 UMMKQLRFFSTLTL-KXQOOQHDSA-N 759.668 10.040 50 1 KKGF CC[C@H](NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@@H](CC)c2ccccc2)c1)c1ccccc1 103262710 JVLOWIVJFMJZEQ-FQRGRBIMSA-N 502.618 6.036 50 1 KKGF CCc1cc2c(nc1N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@H]1N[C@H]2CCC[C@@H](CSS[C@H](Cc4ccccc4)[C@H]1O3)C2 150343177 KVNSBTZMEGCCAB-KAKNNGRXSA-N 1002.310 11.135 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@H](O)O4)CCCC[C@H]1CC[C@@H](CO)OC)CC[C@@H](O)CC(=O)CC2 150348319 DRSPIPLHTDUNAS-VYOAQOHOSA-N 933.247 5.422 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@H](CC/N=C(\N)NCSSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O 150348741 BHNOWXWDSDBTLQ-YCUWBUCPSA-N 690.973 5.665 50 1 KKGF biogenic,in-vitro CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)[C@H]3C=C[C@@H](c4cccc5ccccc45)c4c3ccc(O)c4OC)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 150349783 DBENTYVTDLYQPY-CXDQDFECSA-N 941.205 8.850 50 1 KKGF biogenic,in-vitro C=CCO/N=C(\C[C@H]1O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169615530 WGDOECSYODBCCA-ZXMAQKEHSA-N 631.807 6.436 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(C)c1)C(=O)Nc1ccc(C)cc1-2 253695008 CLOLZLBWGJBDCC-GOSISDBHSA-N 521.281 7.178 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@@H](Br)C(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299857666 OODANQPQZXGRND-QKCZWGNQSA-N 603.726 9.174 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057127 UIDBYBRWFLOSQK-VGOFMYFVSA-N 520.645 7.757 50 1 KKGF O=[N+]([O-])c1ccc(Oc2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 587272670 XOGLBLBFSVQVCT-UHFFFAOYSA-N 536.276 8.350 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)[C@@H]1c1ccc(F)cc1 587321076 ICSGQMOXDUSXSY-ILBGXUMGSA-N 563.206 7.142 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587542404 HAFAXPUWUYFJKP-ZUKKLESISA-N 570.045 5.693 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 587555316 KKNJKLUJJSRYHM-YWEHKCAJSA-N 525.935 6.497 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567495 AYHVESUCQQGOBH-XCXLBLOESA-N 518.972 5.891 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2Br)N1 587682631 MVFAEEKDIUNEPS-DRHCIJSISA-N 506.254 5.158 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 587685438 SXVKFFQDFVCMOM-XYZCENFISA-N 517.053 5.496 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587689245 RCTKYHLIIIUUHS-JYCPIGSLSA-N 527.821 5.525 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689536 UDUNDJLGOFYJON-PGGUUEOZSA-N 577.878 5.586 50 1 KKGF CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C\c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)n3)c2C)c1 587924256 OSIJLUCAXGUMFY-UCQKPKSFSA-N 555.813 9.304 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587959161 JZUGRYNKBWATFU-UUQHCRCUSA-N 607.571 11.837 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CBr)(c2c(F)cccc2C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962578321 XZALPISPQPQAIP-NEEKEDPPSA-N 655.442 7.138 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962665167 LCXPHBWTRBRVKF-SBQFXOPASA-N 518.249 5.123 50 1 KKGF N[P@](=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl 1772583791 KKNXUMNCAJWDKL-DHUJRADRSA-N 605.257 5.685 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccsc2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857561019 ZUXDAZANGKORIH-OEHRPFMMSA-N 579.542 5.909 50 1 KKGF COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(/C=C(\C#N)C(=O)O)s4)cc2n3C(C)(C)C)cc1 1857650528 CSZHBPSGFIRARQ-LFIBNONCSA-N 518.685 8.068 50 1 KKGF CCC=CCC=CCC=CCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC=CCC=CCCCCC)CO[C@H]1O[C@H](CO)[C@H](OO)[C@@H](O)[C@@H]1O 2356285036 ZOXXEOPHAYLXLA-JOTZEHCXSA-N 793.092 9.158 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@@H]1C)N43 2356309764 LCRAMWCFHNHXFP-YWPWAKQJSA-N 655.967 8.130 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@@H]3CO 2356353109 IHEZPANFRBZWBC-IPULWYEOSA-N 933.202 8.112 50 1 KKGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)CC2=C(Br)C[C@@H](Br)[C@@]1(C)O2 2356409330 GDHGBLCXHRSFRM-DFXGVLQFSA-N 517.483 5.940 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5[C@H]6CC[C@@](CO)(C[C@H]61)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356484709 FFBFKAQLRMGQCQ-UDQCDYJYSA-N 601.923 5.974 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@@H](C)CCSS2)cc(OC)c1O 2356677224 LAPDKKBULPKXNQ-OJMOQBFTSA-N 696.884 6.494 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@@H](OCCO)[C@@H](CCC1)CC2 2356857959 SOIAPFQETGZFIN-IGBAXYJXSA-N 846.169 6.105 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 26576830 WYBFHVSAXDKMJV-OCAYXHGUSA-N 743.245 5.627 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 44418980 PPTRYJFBJYZPSW-RDJZCZTQSA-N 514.423 5.003 50 1 KKGF Cn1nc(/C=C\C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1/C=C/C(=O)N1C[C@@H](CCl)c2c1cc(N)c1ccccc21 82182113 POHRJBWHCNNYHG-YFODQYFCSA-N 651.598 6.656 50 1 KKGF C=C1Cc2c(O)cc3c(c2O)C(=O)[C@]2(Cl)C[C@H](Cl)C(C)(C)O[C@]2(C/C=C(\C)CC[C@H]1Cl)C3=O 83924202 TUASWIIAAPWHMO-HAIRSVSMSA-N 513.845 5.836 50 1 KKGF in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CCCO3)CN2C[C@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 85627352 QKUABODNZYYNDN-YWUCGUBVSA-N 727.006 5.891 50 1 KKGF biogenic,in-vitro Cl[C@H](Cn1ncc2c(NCc3cccc(Br)c3)ncnc21)c1ccc(Br)cc1 96272494 LJILKVWBNWUJMO-GOSISDBHSA-N 521.644 5.944 50 1 KKGF Cc1ccccc1CNCCCCCCCCNCCSSCCNCCCCCCCCNCc1ccccc1C 169327477 HFHLCMBGKUSIMZ-UHFFFAOYSA-N 615.054 8.425 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@H]4[C@@]34CC[C@]2(C1)OO4 255220713 JBMMUQVRNSPMJR-VGMSSGEJSA-N 697.142 13.510 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H]2N[P@](=O)(N(CCCl)CCCl)O[C@H]1[C@H]2O 299815244 JALYFSGCWRLNPP-YXKZLKGTSA-N 617.592 5.988 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)[C@@H](Br)c1ccccc1)CC2=O 587453075 PAVCZYBANPQBLD-AYRHNUGRSA-N 544.283 7.105 50 1 KKGF Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccc(Cl)cc12 587619726 UQXZPJQKCDMUQT-HYBUGGRVSA-N 515.812 6.821 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1 587669193 BEVIUFFIOSCJTI-PQRODAJWSA-N 517.236 6.012 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc2c(c1)OCO2 587689764 VTJLPIROFBLRQG-PWECECGKSA-N 519.842 5.800 50 1 KKGF CCC(CC)[C@@]1(CCl)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962474833 LOZHLHMUSCWZFM-VIZCGCQYSA-N 519.041 6.212 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)[C@@H](Br)C1 963030653 ZTOOGXWXSHHGNM-KBSQQMHRSA-N 616.940 6.009 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963135800 CPRYHCMUCYTMGM-TWJUONSBSA-N 645.550 5.892 50 1 KKGF CCN(CC)C(=O)[C@H](Cl)[C@@]1(C)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229035 GYIBNHKSTMMYBT-DNUSTZDASA-N 667.071 5.160 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3ncc(C(F)(F)F)cc3Cl)nc(Cl)nc21 963929750 WVPOCHNBDLLEKS-HSZRJFAPSA-N 616.269 6.535 50 1 KKGF N#Cc1c[nH]c2ccc(NC(=O)C[C@@H]3CCSS3)cc2c1=Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 1857547447 FCVXPCQHDKWFDB-QFIPXVFZSA-N 565.095 7.126 50 1 KKGF CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(OC(=O)CCCCCBr)c(OC(=O)CCCCCBr)c4)=C2OC1(C)C)C3=O 1857548561 ZFWQUJBYYRKODW-JDYAOOHESA-N 956.894 12.900 50 1 KKGF COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(C)(C)C 1857595029 DQWDSJGOXRREID-NSVHCVEYSA-N 891.083 5.814 50 1 KKGF COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@@H](Cl)CCCCCCCC(Cl)Cl 1911579720 LYNNXBLBTVEXNG-UNQCCSQTSA-N 528.989 7.062 50 1 KKGF CNCCCC[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356293042 ZQDSELUWTNKESP-XFZJTRNRSA-N 873.198 9.185 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@H](O)C4CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356307972 HGHISAPJZDRBBV-UIWFKMRYSA-N 902.236 10.127 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2C[C@@H]([C@H](C)[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC24CCCC4)[C@]1(CO)C[C@@H]3CNC(=N)N[C@H](C)O 2356358764 WKHZISBXNZWOQY-SOJOSGHUSA-N 995.451 6.893 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356369160 VXCVXQNWRVCDLE-BKYBKGEGSA-N 801.166 7.510 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@H](CC(C)C)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356523561 WMHXPBMRJVFXFN-BZMXBEANSA-N 834.107 5.315 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H]3Cc4c5cc(c(c4O[C@H]3O)OCN[C@@H](CCc3ccccc3)CC#C[C@@H]2NC(=N)N1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC5 2356673734 OFKLVIGDELBADD-GJGYKCEBSA-N 883.146 5.236 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356716058 ANJXDKKSXVEUDY-ZODXNJFFSA-N 819.140 6.885 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@H](c3ccccc3)CC[C@]43C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@@H](O)C2)C4 2356741589 BXMKFVBMCYBUDH-RQGHTWNISA-N 977.391 10.707 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCC[C@]78CCC7(CCCC7)C8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356761318 XBMYRSJNWRODNL-NILMIXODSA-N 955.242 8.279 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(CCO)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@@H]4[C@H]2O)O3)C5)c1O 85567643 OKYYCYDLMBRMFX-WYCIWOKFSA-N 837.066 7.606 50 1 KKGF biogenic,in-vitro Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(CCCO)C(=O)O[C@@H]1C3 85593848 CHNLKBHGPRWONP-UOMBKMPVSA-O 823.974 5.311 50 1 KKGF biogenic,in-vitro Cn1nc(C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)nn1C 95551075 NVDGQLMNXXSKEI-WOJBJXKFSA-N 737.652 6.234 50 1 KKGF CCCCCCCCCCCC(=O)O[C@@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@H](C)OC(=O)CCCCCCCCCCC 95614881 SXIYHHBAIJTCSX-ZPGRZCPFSA-N 785.170 11.651 50 1 KKGF Cl[C@@H](Cn1ncc2c(NCc3cccc(Br)c3)ncnc21)c1ccc(Br)cc1 96272493 LJILKVWBNWUJMO-SFHVURJKSA-N 521.644 5.944 50 1 KKGF COc1ccc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@@]23[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 102957179 UEZXFIUUAOYLLH-GKZUOQEVSA-N 535.456 6.588 50 1 KKGF CC(=O)O[C@H]1C[C@@H](O)CC[C@]2([C@H](C)O)C#C[C@@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@H](CCN4)Oc2cc(c(C(O)O)cc2O)C[C@@H]13 150348793 JZPXAVBQURODFY-DSZNKBFOSA-N 900.262 5.555 50 1 KKGF biogenic,in-vitro Fc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(F)cc2)cc1 473159858 XWPFDDKBZDUUMZ-UHFFFAOYSA-N 554.738 8.382 50 1 KKGF CSc1sc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1S(=O)(=O)C(C)C 586920696 VGHYPDAJALRVTM-UHFFFAOYSA-N 591.896 8.269 50 1 KKGF COC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587190201 JOCCHOVUSUHCEO-JAJUVVLESA-N 619.803 6.381 50 1 KKGF O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319104 AFCBKCDYMRTWCT-LMSSTIIKSA-N 625.834 6.729 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587328539 JLSGEUGVNBFKDF-UNMCSNQZSA-N 563.263 7.218 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587336618 UJMAJGOOPDRHLO-PORUBVKGSA-N 707.210 7.775 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567493 AYHVESUCQQGOBH-QTCHASOXSA-N 518.972 5.891 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1scc(Br)c1Br 587610454 CIODCLRJOJTAPC-IFXJQAMLSA-N 575.072 6.231 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 587684463 WWIMYQSRGDUXQT-NPMABZOXSA-N 540.702 6.775 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cccc(-c4ccc(OCc5ccccc5)cc4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587938223 QVHQBILZNZYSES-VIXWLAITSA-N 623.746 8.016 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 653703984 XAHTXEJEVAVLTF-QXUDOOCXSA-N 618.622 5.340 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)c2C)cc1 962703671 MQDKVRKKRCMQQY-RCZVLFRGSA-N 538.925 5.120 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCCCCl)(c2ccc(I)cc2)N1 963175822 MTUQLUVFVHDFQK-JXFKEZNVSA-N 572.192 6.215 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1CCc1cccs1 963188749 WLDYGPSGXYBHCV-XXBNENTESA-N 531.427 6.163 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCCCCCCOC(=O)[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857766696 FAUDEJGMISJWCM-VELBVNDZSA-N 720.897 6.813 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356370502 AYDSPICUMVHRMJ-JBMDUJOKSA-N 742.111 6.300 50 1 KKGF C[C@@H]1CC=C[C@@]2(C[C@H]3CC#Cc4c(O)cc5cc4C[C@H]4C[C@@H](CSSC[C@@H](C)NCc6ccccc6C5)C[C@@H]2[C@H]4C3)C1 2356413458 YDRNYFOWZIMLSN-CSIKCMEZSA-N 597.934 8.795 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56[C@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 2356468287 XCXYVTYOGSYQQL-BJSBLOLHSA-N 584.870 6.382 50 1 KKGF C=C(CO)OC(=O)[C@@H]1[C@H](OC(=O)C(=CCCC(=CCCC(C)=CCOC(C)=O)COC(C)=O)CCC(=C)C(C)C)C(C=O)=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@H]21 2356497629 TZGZNDAKBYDMIJ-PRURZLHWSA-N 778.936 7.005 50 1 KKGF CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 2356655650 JVJVFLRXLPZVAS-BPEGEJNTSA-N 968.251 9.403 50 1 KKGF CCCc1cc(OC)cc(O)c1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)C=C[C@@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356726022 VHFKNSGHCDZIJC-MEIBAXOBSA-N 620.871 9.005 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356777635 AICVCWYERNUPLV-RQNHCXQDSA-N 843.159 5.697 50 1 KKGF C=C1[C@H](C)[C@H](O)[C@@H](C)[C@@H](OC(=N)O)C=CC=C[C@@H](C)[C@@H](C(C)=CC=CC[C@]2(O)CC(=O)O[C@H](CC)[C@@H]2C)OC(=O)CC[C@H]1OO 2356798270 PBFFCVHRTZVSSP-JEDPAIQASA-N 633.779 5.351 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1C1=CCN=C1 2356827229 HOMQWDNXEWTGLO-ISWIEWPPSA-N 830.014 5.927 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@]4(C#C[C@@H]3C=C12)C[C@@H](c1ccccc1)CC[C@@H]4CO 2356841914 MJJLMSNBCORCOK-APLAYOBWSA-N 950.321 7.871 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(C)C(=O)O[C@H]1C3 2356851721 QIYMZJZSRYBWCN-FONAMCPPSA-N 780.929 5.607 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1CCC3=C4C=C(NCSSC[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@@]6(CO)C=C[C@H]([C@@]41C2)[C@@](O)([C@@H]5O)[C@H]6O)NC3 2356867560 WSZSTPHGWUMDFW-RRLVOYGASA-N 977.211 5.919 50 1 KKGF O=C(N/N=C/c1ccc(OCCNCCc2ccc(Br)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 27636759 KYTDHUVNLKVTCA-KCSSXMTESA-N 566.883 5.936 50 1 KKGF CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]32C)C1=O 28526728 UYLUNZVIASNMRS-RIVIXERYSA-N 539.109 5.409 50 1 KKGF O=C(NN(C(=O)c1ccccc1)C(=O)c1ccccc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43562105 XTZARMDKHYBDAM-UHFFFAOYSA-N 529.640 6.330 50 1 KKGF O=C(NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1)c1ccc(Cl)cc1 51092474 ITFSDODMAVIXNI-UHFFFAOYSA-N 528.610 6.572 50 1 KKGF COc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)cc1 58494391 JXHVLOWPSFFALO-VTNSRFBWSA-N 632.312 6.350 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(Cl)c1)C(=O)Nc1ccc(C)cc1-2 101405315 IGBYQXCLGWWTBS-LDJRNAMNSA-N 541.699 7.523 50 1 KKGF C[C@H]1[C@H](CC(C[C@H]2O[C@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@]24OO3 169615533 CRSJHIRCVZDTHB-YFQJTVLMSA-N 832.066 7.556 50 1 KKGF CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195394854 MQHRVPZYHFCCSM-VBHAUSMQSA-N 671.948 6.505 50 1 KKGF CC(C)=CC[C@]12C[C@@H]3C[C@@H]4C(C)(C)OO[C@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C 238733689 XWHHFHMIFCAIHB-QHPFZRNHSA-N 550.692 5.242 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCCC(=O)OC/C(=C\C#N)COC(=O)CCCCCCC/C=C\CCCCCCCC 238785391 NPRBNFQTTPCYHZ-BNTFFDCSSA-N 670.076 13.378 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncccc2c1 299829191 ZJSOUMXLZIVSAJ-NDEPHWFRSA-N 645.808 5.919 50 1 KKGF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587119167 ZPMOXEHJYDOJRT-UHFFFAOYSA-N 530.195 6.463 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587327715 HDNRJAXCKBXERS-UNMCSNQZSA-N 563.263 7.218 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 587673537 NWQGVANPHVAIBZ-BSEYFRJRSA-N 566.696 6.401 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587686305 CGLBNNDEEWMVTQ-KHWNGSORSA-N 528.893 7.090 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 587711178 WHOQSIWAAXRHMA-LAJNKCICSA-N 519.764 5.052 50 1 KKGF CCCC[C@@H](C)[C@@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587939581 GVCBUIUXBJIAKF-CJUROJHHSA-N 813.386 5.216 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)NCC21CCOCC1 963188173 NBMCPHILQXIKHQ-IAPPQJPRSA-N 542.901 6.388 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCCCCCCl)(c2ccccc2I)N1C(=O)c1ccccc1 963450435 USEQWRZOJUBYJV-DHIFEGFHSA-N 640.949 7.357 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]34c3ccccc3C(=O)c3cc(NC(=O)[C@@H](C)Cl)c(Cl)cc34)nc(Cl)nc21 963913833 FMHQBGRPMOQCQF-JSRFKQPZSA-N 661.977 6.884 50 1 KKGF COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](OC(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)O[C@H](OC(=O)[C@H](N)C(C)C)C(C)C)C(C)(C)C 1857536295 YOHNRXJNQMSDBT-KRYFUISOSA-N 920.118 5.881 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356295476 ZSDQGZXIJCXAIX-NFYUMHDBSA-N 741.976 7.534 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)O[C@H]([C@@]4(C)CC[C@@H]([C@@](C)(O)C[C@H](Cl)[C@@H]5OC5(C)C)O4)CC[C@@H]3O2)CC[C@@H]1Br 2356328888 LAGSZTCWDHVZKN-XMTCUKGISA-N 622.081 6.447 50 1 KKGF C[C@@H]1[C@H](O)CC(=CCC=O)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356349966 RLUPWBUOWXFZJH-GSEOHZKKSA-N 686.981 5.569 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C1=C(C=O)CCC[C@@H]1C[C@@]2(C)O)CCC=C(C)C 2356407170 ROLOCADEZILRGJ-HELVLLOASA-N 512.731 5.360 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@@](O)(CCCCO)C1CCN(CCCOC)CC1)C4 2356415600 PQJDIFBGBBPNJP-NNZRCTRGSA-N 871.037 5.238 50 1 KKGF CC1(C)c2[nH]c(Br)nc2C=CN2C(=O)C[C@@H]3c4ccc(Br)cc4N[C@]32C[C@@H]1Cl 2356492174 XRFAXSYCYALISO-RAJNIJHNSA-N 526.660 5.332 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c(O)c(OC)c1O 2356704460 VHXIVTKGIICTKI-YTWFBPNJSA-N 656.819 6.278 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@H](C)O)C2)Cc2cccc(c2)C1 2356768379 NQXCHVHSIRKMST-BDOPXAMASA-N 998.400 6.393 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H]([C@@]2(n3ccnc3)CCC3(CCCC3)C2)SSC1 2356856472 SAAQGHSJPVNNRC-XQNMEQMJSA-N 702.987 7.795 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356863981 VJSYMSTYQQNTEV-DMRIIGQFSA-N 729.965 6.716 50 1 KKGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356871469 YBIDUQUOSTVSPA-OWXWKRSTSA-N 559.918 5.583 50 1 KKGF CCCCCC(=O)OC[C@]12CC=C(C(C)(C)OO)[C@@H]1[C@H](OC(=O)c1cccnc1)C[C@]1(C)O[C@H]1CCC(C)=C[C@H]2OC(=O)c1cccnc1 2356871847 YLQVZIPYGBZEBF-YENSVEDXSA-N 676.807 6.840 50 1 KKGF COc1ccc(CCn2c(C(=O)NNCCc3cccs3)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC 28393630 YHJKUQXICKCHMB-UHFFFAOYSA-N 713.809 6.248 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccccc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873499 DQNAYEJQHOMPNK-DNQXCXABSA-N 627.351 6.121 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 85627228 TWUMIZGGIVWYSZ-OCOINRKOSA-N 851.193 7.350 50 1 KKGF biogenic,in-vitro CN(C)C/C=C/C(=O)Nc1cccc(C(=O)Nc2ccc(Nc3nccc(/C(C#N)=C4\Nc5ccccc5S4)n3)cc2)c1 89464860 HOHLJRLTAVJARA-KCBYSLGISA-N 588.697 5.939 50 1 KKGF COc1cccc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c1OC 101793875 YKLZOXJFWBYURA-KFTXZENJSA-N 592.729 6.662 50 1 KKGF CCCNCCCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 150343998 BOAXPEVMMMVONP-CAJOCHIHSA-O 970.156 5.518 50 1 KKGF biogenic,in-vitro CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSS[C@@H](O)[C@@H](C4CCCCC4)C/C=C\5OC6=O)[C@@H]32)CCCC1 150344181 YDIDXBMHTPRVGZ-GHWDNENXSA-N 714.994 9.175 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@H]5[C@@H](C3)[C@H](O)O4)CCC[C@H]1Cc1ccccc1)CC[C@@H](O)CC(=O)CC2 150348359 NJJUOMCKEUTSBQ-HXTJLBMVSA-N 907.212 6.487 50 1 KKGF biogenic,in-vitro CC(=O)[C@@]12O[C@](C)(c3ccc(N=C=S)cc3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253633443 MTDHVDZOLRAWPW-FPPZZAMFSA-N 505.680 6.479 50 1 KKGF CC1(C)C(=O)[C@H](Br)C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@H]4CC[C@H]13 253638225 PJODGMQVMSZZCF-LHKIZIEYSA-N 551.606 6.047 50 1 KKGF C[C@@H]1C[C@@]2(NC(=O)CS2)[C@]2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO[Si](C)(C)C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO[Si](C)(C)C)C[C@H]3O[C@@H]2O1 253994704 VFBOGQQXOMMKOQ-UPHGUPJZSA-N 836.326 7.818 50 1 KKGF C/C(=C/CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 299820890 IJBKYXUBTDMCDR-JOUREUQLSA-N 613.707 8.080 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1c2ccccc2cc2ccccc12)=N\O)/C(Cc1c2ccccc2cc2ccccc12)=N\O 299867447 YBHXFAKXCUQOBW-CSMBQKPMSA-N 674.848 7.359 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056387 NDPZASPQGIFMGU-UYRXBGFRSA-N 596.927 7.796 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319590 CFSATHPZOHOFHM-XRKRLSELSA-N 580.837 6.821 50 1 KKGF Nc1c(Cl)cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587323199 PYCCBSLFPGWUQN-UGKGYDQZSA-N 511.174 6.070 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C(c1ccccc1)c1ccccc1 587325168 CGKLEMYRAWPACS-SHUZPENHSA-N 566.072 8.081 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 587685435 SXVKFFQDFVCMOM-XLFHBGCDSA-N 517.053 5.496 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc12 587690048 YYWSEFJZEKWBSK-YFONVMMFSA-N 527.821 5.525 50 1 KKGF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)[C@H](Br)C(=O)c2cccc(Br)c2)c1 587898329 IRHZYPWBIHLNOM-QFIPXVFZSA-N 546.642 6.340 50 1 KKGF O=C(O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 621430836 YIGIDZHXWUYKIG-BVMSZVPBSA-N 684.674 8.067 50 1 KKGF COc1ccc2c(c1)[C@]1(CC(C)(C)CC3=C1[C@H](c1cccc4ccccc14)C(C#N)=C(C)N3)N[C@@H]1CC[C@H]21 962998783 VWBUSWDNGZYBBF-UORNVBAQSA-N 501.674 7.152 50 1 KKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963027342 SIGLMJYGUAJIAW-IALVYGIMSA-N 565.895 6.636 50 1 KKGF COc1cccc2cc3c(nc12)[C@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)NCC3 963049111 ALVVJTHSCUZHMT-XIFFEERXSA-N 502.598 5.854 50 1 KKGF N#C[C@H](c1nnc2n1CCCCC2)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963103119 YOYDPYQUEBEUCA-IPCQUCSASA-N 642.203 7.049 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCCCCl)(c1cccc(C(F)(F)F)c1)N(C(=O)c1ccccc1N)CC2 963136041 FFUOWGHXAVSSRJ-GDLZYMKVSA-N 561.044 7.046 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@]2(C(C(=O)O)=NN(c3cccc(Cl)c3)C(=O)[C@@H]2I)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381209 RLPVUJUEDXZIBO-PTVSMQAKSA-N 791.982 5.881 50 1 KKGF CCC(C)(C)[C@]1(CBr)c2cc(O)ccc2C[C@@H](C(=O)OC)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381307 UQRQLHJKMLEYIW-IUDBTDONSA-N 592.530 6.767 50 1 KKGF COc1ccc2c(c1OC)[C@]1(/C(=C(/C)NNC(=O)Cc3ccccc3)C(=O)c3ccccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963797645 ZGOJCXVAFDLODK-ZCTKNCJCSA-N 654.723 5.030 50 1 KKGF Cc1cc(NC2CCN(C)CC2)ccc1-c1cc2c(N3CCC[C@H](C(=O)NCc4ccc(S(F)(F)F)cc4)C3)[nH]cnc-2n1 1857618654 NHOAAHMTRWOMBJ-QHCPKHFHSA-N 625.765 6.741 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CC[C@@H]5C=C[C@@H]6CCCC7=C1[C@@H](C4=C5[C@@H]76)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356360983 SBROLDLEVCLCCV-OUFXIMEGSA-N 813.183 8.282 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356370863 DIKZZPQEULMLLJ-FDUYGLKHSA-N 844.191 5.578 50 1 KKGF COc1cc2c(cc1O)CSSC[C@@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@@H]4COC(C)=O 2356372662 JTQUYABNECDMEH-OOFIYHFUSA-N 552.670 6.097 50 1 KKGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356453129 OWDZZJZXKWBZCR-WQZDGXDCSA-N 644.890 8.053 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CC1=O)C[C@H](NC(=N)N)CSSC1(CCCCC[C@@H](O)C[C@@H](OC(C)=O)CC2)CCCCC1 2356717814 FMEHBNXPXHKMHQ-MXYFDVTLSA-N 678.962 5.655 50 1 KKGF C[C@@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356718397 UZCLBOARVRMPFZ-OHTBFIRKSA-N 908.243 11.064 50 1 KKGF CC1(C)[C@H](CC[C@]2(C)O[C@@](C)([C@H](O)CCl)CC[C@@H]2Br)[C@@H](O)CC[C@H]1Br 2356725302 CXSYXYOPYBYQCA-JUSAYDMQSA-N 504.731 5.018 50 1 KKGF CCO[C@H](CC)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC 2356726400 ZSXOESDFZFOLOC-XADFSGOWSA-N 671.001 7.609 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O 2356809141 ANSLOGBZKFVWIR-VKSGDWLESA-N 810.999 5.590 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356826313 HIQWUUFFWHOYPL-FWSOXINISA-N 843.977 5.340 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](CC4=C[C](N)NC=C4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356834932 RGZBZFYZZZBZBI-ITVBMFGKSA-N 852.201 7.439 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@@H](OCCO)[C@@H](CCC1)CC2 2356865815 VLHVCCQRDFMSDE-VBFUYBBVSA-N 820.131 5.789 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4C[C@@H](NC[C@H](C)O)C[C@](CC)(C#C[C@@H]3C=C12)C1(CCCC1)C4 2356866857 WIAHONLAPRPQTP-UBZSMMAISA-N 957.357 6.844 50 1 KKGF O=[S@@]1c2ccc(Cl)cc2C[C@H](SS[C@H]2Cc3cc(Cl)ccc3[S@@](=O)c3ccccc32)c2ccccc21 4613450 HDJWIAKCZPDXOF-ZRERGLNCSA-N 587.640 8.603 50 1 KKGF COc1ccc(CCn2c(C(=O)NN[C@@H](C)C(=O)OC(C)(C)C)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC 28459819 QLEURLAQOMFUBQ-NRFANRHFSA-N 731.799 5.674 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl 37858486 GCAVMNHOWDAVHA-ROJLCIKYSA-N 695.603 7.501 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40394762 VAVMWACIIVWIPI-DKQSPMBTSA-N 521.196 6.317 50 1 KKGF O=C1c2ccccc2C(=O)c2c(NCCN[P@]34=NP(Cl)(Cl)=N[P@@](Cl)(=N3)OCCOCCOCCOCCO4)cccc21 49937575 COBFEIQVHLRLQY-COCZKOEFSA-N 698.805 7.129 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@@H]5C[C@H]6CC=C5CSSC[C@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@@H]5CC6)c1O 150342848 OMBSIJMQTQBVQC-GQLJKVMMSA-N 883.185 8.772 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1cccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c1 150562383 KVKCSTBEWYZIKP-BXINNIFYSA-N 879.594 8.436 50 1 KKGF COC(=O)COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 253738365 QXDZABCOJDUJGT-JHVHWCEUSA-N 607.670 7.383 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@]3(O5)[C@@H](Br)[C@@H](Br)[C@]12C 263611972 XRRHDGKBIMJRKD-SOZXTQHCSA-N 546.384 6.503 50 1 KKGF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586916712 NNUMJJIPLJTZKS-ORAYPTAESA-N 511.310 7.199 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(I)c3)nc2c1 587182610 LLZUHMQURNCLEZ-UHFFFAOYSA-N 559.523 7.908 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)[C@H]1c1ccc(F)cc1 587340722 YXJUTPIGTXHMLT-MFACLRLHSA-N 632.270 7.964 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)CC2=O 587464627 UUAXUOWPZOOASW-LJQANCHMSA-N 512.149 6.926 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537297 CLEFRCMJRYCVIC-SQVZPOBLSA-N 517.375 6.825 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCc1ccccc1 587573703 WUNLLBHDCDINRL-HEWUYBSCSA-N 561.993 6.008 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 587715930 YQDLIQRIRNOXKM-WNWIJWBNSA-N 517.105 6.058 50 1 KKGF COc1cc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587720379 SUBWWKRTCIPWQO-DGIBIBHMSA-N 509.160 5.371 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 587847064 FOYNXYIXCNGNEE-HMILPKGGSA-N 504.383 5.970 50 1 KKGF O=C(c1ccc(Cl)c(Cl)c1)[C@H](Cl)[C@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648813 YJWFDTXCLIZZTP-OBVGZQLQSA-N 630.830 8.781 50 1 KKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963027335 SIGLMJYGUAJIAW-AHPZMPFVSA-N 565.895 6.636 50 1 KKGF CCOC(=O)c1c([C@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n(CC)c1C 963190020 XTWNBVNEUPXDTB-QRQCRPRQSA-N 521.363 5.055 50 1 KKGF CCCCCc1ccc([C@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1 963419532 TZTIDYCTLXLOAF-JTSJOTPCSA-N 559.504 6.691 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(C)[C@H](Cl)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(Cl)nc21 963915827 QEABVMFWUWSLHC-RLWLMLJZSA-N 632.436 7.932 50 1 KKGF CCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772618511 IWIZOMWAHIZTOM-HRRMAQLZSA-N 675.819 9.352 50 1 KKGF CC(C)C[C@@H](NC(=O)Cc1ccc2oc(-c3ccc(NC(=O)Nc4ccc(-c5nc6cc(CC(=O)N[C@H](CC(C)C)B(O)O)ccc6o5)cc4F)c(F)c3)nc2c1)B(O)O 1857652415 YZXBRYCGIUBBGN-LQFQNGICSA-N 824.456 5.396 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4cccc(C)c4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4cccc(C)c4)cc23)cc1 1857745059 BZAJMOVRDQOJBA-XQPPAUJBSA-N 656.790 8.282 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(F)cc2Br)nn1 1857749691 VTQWTRKCOPIEEG-PQYBFXJRSA-N 586.546 6.976 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56CCC[C@]5(CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4)C[C@](O)(CO)CC6 2356293031 ZOHBLYNUTJGDPT-CSWJSJJASA-N 996.305 8.608 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@@H]2C=CC[C@H]3O 2356350362 ARGPYYIXSGLQRL-GSVFWQLASA-N 944.318 6.393 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCC2)c1O 2356358752 WFRHKYHNVOJSRI-IJIMJSDZSA-N 664.886 8.523 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSCC1(CCCCC1)NC(=N)N[C@@H]2C=CC[C@H]3O 2356376610 VFUCJKGYEFDMCE-MZZCVXCFSA-N 866.204 5.201 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@@H]2C=CC[C@@H]3O 2356554674 VINHIYDMZWIQQJ-XMXKOAPBSA-N 986.355 6.113 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5[C@@H]6CC[C@@H](C[C@H]61)[C@@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356689088 XNGSDPRAMXPNFI-LDOIDAJUSA-N 517.805 5.299 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@H]([C@](C)(O)C1CCCCC1)C4 2356696010 FVAIFZCZWYTMRY-CZKSOTMUSA-N 769.888 5.146 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]6O)[C@]54C 2356779493 UEXRYAPJVXUKIG-UWCXMXBKSA-N 920.244 6.092 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@](CC)(C#C[C@@H]3C=C12)[C@@]1(CC[C@H](O)C1)C4 2356833777 KJUVZYDEWNCVJF-OQAVDYOXSA-N 900.261 6.866 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(COO)=CC[C@@]4(C)CC[C@]23C)C1(C)C 2356858714 SOXWWZWVGOHVRN-IVPMDAJBSA-N 500.764 8.065 50 1 KKGF Cc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873699 QHSNDYSTFQPVCK-JWQCQUIFSA-N 641.378 6.429 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 36176447 CNSJDSROLZSDCN-MEKGRNQZSA-N 626.713 6.195 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 58591654 PJWCSKUZBBGOKA-PEQQQWJOSA-N 590.798 7.591 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 150349751 IZZBLDFHBSAURL-RTGCZPRASA-N 989.290 8.296 50 1 KKGF biogenic,in-vitro COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1 299826796 OAZGFRFNDUWGJE-PTZDRTPLSA-N 652.689 7.531 50 1 KKGF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCOCCOCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 473120498 DJCZXTMNYDZCLD-XJVDRXDBSA-N 695.901 7.929 50 1 KKGF CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 587204795 LNPZUMGBDMHCDD-KDGKORCUSA-N 657.662 6.242 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(CBr)cc2)[C@@H]1c1ccc(F)cc1 587319676 CNPVXVPWDQBJJN-FYYLOGMGSA-N 520.192 6.076 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2scc(Br)c2Br)[C@@H]1c1ccc(F)cc1 587377903 SVHHUVFQIZKGBQ-OXQOHEQNSA-N 546.639 6.611 50 1 KKGF C[C@H](Br)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539015 UDOLIYBZCPCDOW-NCNFXNTHSA-N 504.174 5.795 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 587673593 OPXYKDSYPHKVID-OZAJXLCCSA-N 515.220 5.854 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685845 BLCJVGVWAVCGAE-QMTYFTJSSA-N 519.886 6.274 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587858714 SXCNLMJULUUGQC-WWTSWKCXSA-N 606.001 7.177 50 1 KKGF C=C1CC=CC(C)(C)[C@H]1CC[C@]1(C)[C@@H](Br)CC/C(=C\I)[C@H]1Cc1cc(Br)ccc1O 1857765697 RYPNHNKSGHGUCG-YLCPIZCMSA-N 648.261 9.135 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@H]2CCCC[C@H]2CNC)Cc2cccc(c2)C1 2356517624 PCGULFQBINMLEC-XQFNDQPPSA-N 968.374 6.889 50 1 KKGF CCC=C(C)C[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@]2(C[C@H](OC)[C@@H]1C)O[C@H]([C@H](C)[C@H](O)[C@H](C)C=CC=CC=O)[C@@H](C)C[C@H]2O 2356743498 HIBXHLLAIDYISL-BOFJFHNISA-N 564.804 5.233 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356745407 XDSXTKQXTGZPCP-NLMAMWDVSA-N 741.026 5.417 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356774462 YCKKBGSMVPNQHX-HRVFYUNESA-N 861.221 8.145 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](C4(CCCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356777223 PPPNWTQJBMXWML-MRBJGRJDSA-N 966.409 7.838 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356778407 UKTXJMJUZMZBJU-MWDHLZDTSA-N 815.067 8.525 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24CCC[C@@H]3[C@H]1OC4=O 2356837281 LIXUPVAYPKONRA-MZLGLBHVSA-N 806.967 6.312 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CCCC[C@@]4(C#C[C@@H]3C=C12)C[C@H](c1ccccc1)CC[C@H]4CO 2356851431 QHMVKCWAAALCIW-CEYXKZTGSA-N 994.374 7.888 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356851784 QJUOHHKCSHTUIE-GNGXLUNESA-N 666.006 7.825 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@](CC)(C#C[C@@H]3C=C12)CC4 2356857191 SHEBRRVVTNFFDL-JGAYKIBJSA-N 830.170 6.725 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 14141242 ILHLSPYNKOOAAQ-RVFFXYTCSA-N 524.624 5.468 50 1 KKGF C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 42835198 QUBOVNLOOLVJRA-LQJZCPKCSA-N 592.729 7.576 50 1 KKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCOCC2)C(CSc2ccccc2)=N1 43799873 VZJPFHOXAKXIFM-SAPGLNIQSA-N 543.611 5.952 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@H]3CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C3)[C@]1(C=CC[C@H](C)C1)C2 85543459 HVWDDDJUTXWBOD-AJRBSQETSA-N 659.062 9.429 50 1 KKGF biogenic,in-vitro COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c4c2cc(O)c2[nH]c(C(=O)OC)cc42)cc1)C[C@H]3CCl 95540297 DJGBLVDEMYCIKO-NBHSODJHSA-N 743.600 6.398 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)O[C@@H]5CC[C@@]6(C)C[C@@H]7C=C[C@@]6(OO7)C5(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169299808 ROBCWKFPUJQMPN-ZJQQKSNSSA-N 636.958 10.774 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169367998 DFPBBOCDGYBNBR-XJTFWBONSA-N 550.689 5.419 50 1 KKGF C=C(CC[C@@H](O)[C@]1(C)CC[C@](O)(C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 238765383 WZRJTKGOXQHWCZ-UCJYGHBXSA-N 603.635 5.309 50 1 KKGF CCCCCCCCOc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br 587054344 FJHUWTBNHKNKFB-JCMHNJIXSA-N 614.415 9.843 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054695 ATBPDWCACCEVMW-SFQUDFHCSA-N 514.438 5.592 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2I)[C@@H]1c1ccc(F)cc1 587340541 VERUVAAUXUYAKL-IFMALSPDSA-N 632.061 6.548 50 1 KKGF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)CC2=O 587486036 LCQXDXKWZBRMIS-JGCGQSQUSA-N 522.625 7.043 50 1 KKGF COc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] 587539686 XLUVESVWWYMTPY-FDDCHVKYSA-N 534.746 5.523 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 587714216 OTEVHXCQHDQPHY-NSPYISDASA-N 503.725 5.204 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587717271 KXWQLRVUVFQQAO-LJHJPTISSA-N 681.058 6.865 50 1 KKGF COc1cc(Br)c([C@]2(CBr)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1OC 961774479 GWRUULKNXSCNIG-SANMLTNESA-N 596.360 6.256 50 1 KKGF CCCC[C@H]1C(C#N)=C(C)NC2=C1[C@@]1(CC(C)(C)C2)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962569198 JTCGCIIZOSTEJX-CYGYVBPTSA-N 642.800 7.819 50 1 KKGF CC(=O)Oc1ccccc1[C@]1(CCCCCl)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963043046 TVLRWWYXKIWUTN-PZSMLTKBSA-N 660.113 7.803 50 1 KKGF CCCCOc1c(B(O)O)cc(C)cc1[C@@H]1c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085223 YSXWHEXBLFZDJP-PVXQIPPMSA-N 791.599 6.900 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(OC(F)F)cc1)([C@@H](Cl)C(=O)c1ccc(OC(F)F)cc1)N(C(=O)c1ccccc1N)CC2 963142490 PSJGANBPAXTORZ-NHZFLZHXSA-N 673.059 6.921 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(N1)c1cc(Br)ccc1OCC[C@H]2Br 963191225 OOFBBEYHRIMFJA-ZBQZNYHESA-N 569.599 5.510 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CCCCCCCl)(c2cccc(I)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963222372 YRMGBSWRBYYRKX-WOGQQFDQSA-N 826.040 8.507 50 1 KKGF Cc1cc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1C(=O)O 1857537200 ZTCYNGXERAOUIU-UHFFFAOYSA-O 595.784 9.357 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 1857770526 FKWMPDGEFCDOLC-HWBZZXBSSA-N 567.638 8.444 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356318262 CDIVCRXMRMAMGC-ZLDPGFKASA-N 703.971 7.592 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356351696 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CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356639549 UYQCRDHVFRXUDK-IRZSFNNRSA-N 699.895 6.507 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356655174 ZIPHEWXHWGGITJ-PGDQWGPFSA-N 819.055 7.182 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@@H]([C@](C)(O)C1CCCC1)C3 2356656862 MOALTLJMJPQLAL-IAMSQYCOSA-N 655.744 5.612 50 1 KKGF CO[C@H]1[C@@H](C)[C@@H](CC(=O)OO)O[C@@H]([C@@H](C)[C@H]2O[C@@]3(CC[C@](C)([C@@H]4CC[C@](C)([C@@H]5O[C@H]([C@@H]6O[C@](C)(O)[C@H](C)[C@H](OC)[C@@H]6C)[C@H](OC)[C@@H]5C)O4)O3)C[C@@H](OC)[C@@H]2C)[C@H]1C 2356703997 DHYSCHSUXDLLKZ-MPMMVCRLSA-N 815.051 5.540 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@@]45C[C@@H](CSSC[C@@H](CC[C@@H]3O)[C@H](C)CC[C@H]4NCCO2)C2(CCCC2)C5)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356770791 ICQBAGXTIMPJGZ-WFMSBBTQSA-N 992.354 6.424 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356815026 CNUUQSXYBLYNQO-TXWBTOMWSA-N 784.141 10.326 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356823280 GKQYISHVHHQLHR-ZLSGPNLLSA-N 799.117 5.965 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ncn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC 27643295 JGFIJAQSZJWIAK-IBGZPJMESA-N 649.060 5.720 50 1 KKGF O=C(CI)Nc1ccccc1Cn1c2c(c3ccccc31)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5 28764176 YIHYNCPOLFRJAB-JJVQHPENSA-N 687.578 5.468 50 1 KKGF O=C(NNC(=O)c1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1)Nc1ccc(Oc2ccccc2)cc1 49605612 DGOPXEADQZUAHN-UHFFFAOYSA-N 731.747 8.241 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53226767 HOSSTDYQJSAZTA-FCHUYYIVSA-N 523.843 6.152 50 1 KKGF COc1cc(/C=C2\CCC/C(=C\c3ccc(OC(=O)CCCC[C@@H]4CCSS4)c(OC)c3)C2=O)ccc1OC(=O)CCCC[C@H]1CCSS1 82196787 MXHCYEXTUGNNNW-ZZXADRAQSA-N 743.047 10.163 50 1 KKGF CC(C)=CCCC(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 85544690 BEZCYMDSTHRDBG-OIGHUYBASA-N 554.812 6.675 50 1 KKGF biogenic,in-vitro C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1ccccc1 85549365 QQQVNLHZIGNJSW-OBTCXOODSA-N 597.891 5.140 50 1 KKGF biogenic,in-vitro COc1ccc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc1OC 101815685 QFTOXVSPDOVNSK-ODMIMOIFSA-N 594.701 6.203 50 1 KKGF COCO[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@@H](CN=[N+]=[N-])c1ccc2c(c1)OCO2 195185878 GFBWWCPTWVETOS-GUGJDKNPSA-N 509.676 5.340 50 1 KKGF CN(C)c1ccc(O[Si](Oc2ccc(N(C)C)cc2)(Oc2ccc(N(C)C)cc2)Oc2ccc(N(C)C)cc2)cc1 195514352 JZKQPIGPLMMLPV-UHFFFAOYSA-N 572.782 6.002 50 1 KKGF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](Cl)[C@]4(O)C[C@@H](O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255195044 AMYSIWTVVYSJPA-XXCOKQKUSA-N 629.319 5.261 50 1 KKGF CC(C)=CCC[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 586905117 YRJQZFJSQLEJRC-TWFBCFLKSA-N 586.865 8.107 50 1 KKGF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587113544 NAWRAANFMGQIAW-LBPRGKRZSA-N 510.248 7.244 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCC3=O)cc2)[C@@H]1c1ccc(F)cc1 587322163 LMNFJFADVFRQSK-AOYPEHQESA-N 510.359 5.307 50 1 KKGF Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl 587323778 MQMZPBCNDZCNTI-KNQAVFIVSA-N 531.194 5.916 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 587372638 FSGUTHVLMDKCDN-QUCCMNQESA-N 512.194 6.005 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23F)N1 587717732 MGJACKSQQJEOIO-HEFHTWCZSA-N 624.994 5.904 50 1 KKGF COc1ccc(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)c(OC)c1 653804941 XCSILPPNRJHYQB-SEBMTOOBSA-N 631.705 6.602 50 1 KKGF C[C@@H]1C(C=O)=CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1[C@H]1N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971361 ICLUPOSULWKABM-VVZWYNPZSA-N 654.151 5.582 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(C)cc1C)N(C(=O)c1ccccc1N)CC2 963146240 XGLNQFBTCRIZGC-HHHXNRCGSA-N 509.444 5.240 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C(=O)Cc2cccc4c2OC(=O)N[C@@H]4N)CC[C@@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356349808 OLHDJKUWQGXYIS-VLLNPGFESA-N 789.073 7.188 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@]31CC[C@H]([C@H](O)[C@@H](O)C4)[C@]15C 2356357237 QXOHGBWUEARJIL-WIYAWFCWSA-N 850.197 7.389 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@@H](C)O)C2)Cc2cccc(c2)C1 2356360615 JUUFJROMHPGSHV-DKCBHUGRSA-N 972.362 5.858 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)CCCC3(CCCC3)C1)CC[C@@H](O)CC(=O)CC2 2356366121 ALRMSWXQPBEGOC-PJSUBUEUSA-N 885.206 6.788 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@H](O)CC[C@]4(C)[C@@H]5CCC[C@@H]5NN[C@@]5(C[C@@](C)(C#CC[C@@]6(C[C@H](Cc7ccccc7)CC[C@@H]6CSSC[C@H](Cc6ccccc6)C1)C(=O)O5)[C@]2(O)CCC1=CC(=O)OC1)[C@@H]34 2356575553 RROLLMKSHDNECO-XXYGEZQBSA-N 951.349 9.144 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356776528 UPCALCNATWKCQI-GXDCZOHMSA-N 958.389 8.109 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C[C@H]4SS[C@]5(CCCC6(CCCC6)C5)[C@@H](CC[C@H](C)CCC[C@H](O)[C@@]4(O1)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@@H]4[C@@]3(O)[C@@H]1O)NCCO2 2356778559 XZGZGGPHDYXXHG-IJNMPGIXSA-N 940.231 6.276 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@]1(C)O[C@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4N=CC=C4C3)[nH]c(=N)c1CSS2 2356838616 MBPNUQLSPWWVDJ-KBXHXZBBSA-N 804.951 5.916 50 1 KKGF CC(=O)Oc1ccc2c(c1)c(C(=O)Nc1ccccc1)c(SSc1c(C(=O)Nc3ccccc3)c3cc(OC(C)=O)ccc3n1C)n2C 26161005 DQTFQGFYHRMPLB-UHFFFAOYSA-N 678.792 7.825 50 1 KKGF CCN(Cc1cccc(OCc2cc(-c3cccs3)cs2)c1)c1ccc(C(=O)c2ccc(CCl)cc2)cc1 26280022 AFDOANFANWELCA-UHFFFAOYSA-N 558.168 9.052 50 1 KKGF CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(NC(=O)CBr)cc1 28353476 UFMAHSHKVARXBP-DEOSSOPVSA-N 647.441 6.556 50 1 KKGF CCc1nnc(/N=C(O)/C(C#N)=C/c2ccc(OCc3cc(C(F)(F)F)ccc3C(F)(F)F)c(OC)c2)s1 43990441 QDDSYOHKEBGYQJ-RIYZIHGNSA-N 556.488 6.921 50 1 KKGF CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC2([C@H](C)O)CCCC2)c(CO)c1 85597319 BSRKCMWHVSVPDX-YCLBXRQWSA-N 791.045 7.756 50 1 KKGF biogenic,in-vitro COc1ccc([C@H]2C[C@H]2NNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 95606632 HTASPJMRRZBYOC-XRKRLSELSA-N 749.817 6.508 50 1 KKGF COc1ccc(CCn2c(C(=O)NNCCc3c[nH]c4ccccc34)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC 95612284 GUKTYKAHFJADOZ-UHFFFAOYSA-N 746.817 6.667 50 1 KKGF COc1cc2c(OCCCBr)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 98084780 OOBXLNDIDJCBOD-UHFFFAOYSA-N 501.329 5.087 50 1 KKGF COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 197399555 WBXYUFMFVHCXRR-KRILQTMBSA-N 683.882 6.083 50 1 KKGF CCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C=C(\C)CCC=C(C)C)O[C@H]2O 238750782 YTKIDWSBNOYJSZ-KLYKYLRBSA-N 612.892 8.636 50 1 KKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(C(F)(F)F)cc3)c2C)ccc1O 473090275 NWVQGOFRGUFMFB-JJKQSNDFSA-N 563.363 6.651 50 1 KKGF O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1Br 473153271 ZPSZTAGDELOFFG-IIXSRDTASA-N 607.481 7.097 50 1 KKGF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl 586963306 GXNDPXQWWHTOJD-UHFFFAOYSA-N 602.836 7.768 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058424 YVUWFKNZIYUANC-AUWJEWJLSA-N 570.196 8.003 50 1 KKGF O=C(N[C@@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 587224171 PZHIKAKNOYSQSX-MHZLTWQESA-N 571.571 8.848 50 1 KKGF COc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] 587320537 FPYSDKXCJYTIDC-RDPSFJRHSA-N 550.764 6.059 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1 587326798 NCALSOZYMCXHGR-QLWXXVCSSA-N 542.006 6.618 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 587333405 VUCYORFITANEDR-LITSAYRRSA-N 541.953 7.033 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587340717 YXJUTPIGTXHMLT-HTCHUFIESA-N 632.270 7.964 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2[C@@]2(c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 962638228 KTGJWUNUHLAUAY-PCFBBNLSSA-N 716.999 7.766 50 1 KKGF COc1ccc2[nH]c(C)c([C@]3(CCl)c4c(ccc(OC)c4OC)CCN3C(=O)c3ccc(C(F)(F)F)cc3)c2c1 962674858 IYQBJPLGDLDWGB-GDLZYMKVSA-N 573.011 6.702 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1ccccc1 962958738 OUKLVNDAFGYLBR-CCLHPLFOSA-N 503.008 6.635 50 1 KKGF Cc1c(F)cc([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1I 963007937 COKIGUWIQIPODB-HOFKKMOUSA-N 681.727 6.664 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(Cl)c(Cl)c2Cl)N1C(=O)c1ccc(Cl)cc1 963010383 NJDVWBJVQCCWKA-FNZWTVRRSA-N 627.149 7.572 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2ccc(C#N)cc2)N1 963173164 PDUFKCZRRIEUPO-MSEJLTFDSA-N 643.585 6.477 50 1 KKGF Cc1cc([C@@]2([C@@H](C)Cl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C)n1-c1ccccc1 963583993 RXVXWUKQHITVJT-GRMGDBHTSA-N 631.098 7.636 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCCCl)(c1ccccc1C(F)(F)F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963780354 YELUGPQHEKDBAY-HKBQPEDESA-N 599.049 7.124 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1ccc([N+](=O)[O-])cc1)c1ccccc12 1772573639 CPARMFFNVYTQLY-BHVANESWSA-N 643.623 5.344 50 1 KKGF CCCCCCCC[Si](C)(C)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O[Si](C)(C)CCCCCCCC)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857534921 IOWAWVUOZUVBSJ-XEFWTBMLSA-N 811.350 12.533 50 1 KKGF CCC[C@@H]1C[C@@H](Cc2cn([C@@H](Cc3ccccc3)c3nc(C(=O)OC)co3)nn2)C[C@H](O[Si](C)(C)C(C)(C)C)C1 1857621102 KLTZSMBVSFJMKE-YPTUDWLLSA-N 566.819 7.034 50 1 KKGF C[C@H](CCc1ccccc1)C[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356292150 MGODVHWOIFEIAW-XBECMLOPSA-N 934.281 11.455 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)CSSCCC[C@@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@H](N[C@@H]1CCC[C@@H](CCO)C1)CSSC2 2356320389 CQUAMQAGDKSUGH-PTBGFYCBSA-N 898.244 9.258 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356644336 BKOJBYQIPKBGCK-XFGAIXIPSA-N 896.318 7.335 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@@H]2O)O3)-c2ccc(O)cc25)c1O 2356708168 GEWBSZYKQBTSJN-WVLYICEMSA-N 738.965 8.011 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356768187 NEWUWPKROOQGSB-FJFCFEQDSA-N 787.095 5.946 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CCC6(CCCC6)[C@@H]5O)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@@H]2O 2356779534 VGORGWHFVNVLNK-RDQKBNRSSA-N 972.273 5.718 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C[C@H](CO)CC[C@@H](O)CCC(C)C)c(=O)oc5cc1O2)[C@H]43 2356813527 CHSIZPIMAKEFHI-IHVGXGQLSA-N 931.231 5.897 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@]12O)[C@@]3(C)[C@@]12C[C@@H]3Cc5cccc(c5)N[C@H]5[C@H](CCC[C@H]5O)SSC[C@@H]3[C@H]1CC[C@H]4C2 2356847148 OUCLSZGZFLLDDT-PIZSHYPZSA-N 623.925 6.368 50 1 KKGF COc1cc(NS(C)(=O)=O)ccc1Nc1ccc(C(=O)NCCCc2ccc(N(CCCl)CCCl)cc2)c2nc3ccccc3cc12 26500029 HIHIOCOHZWYPRJ-UHFFFAOYSA-N 694.685 7.158 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@@H](Cc3cccc(CO)c3)[C@H](C/C=C\[C@H](O)[C@H](O)C3CCC(O)CC3)C2)[C@@H]1CC(=O)O 85505454 VAAPPBOJWYZWOU-SRYSXBJSSA-N 724.042 6.559 50 1 KKGF biogenic,in-vitro C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C 85544509 PHUVQXFPKGYDKS-REHSUZGMSA-N 557.816 5.604 50 1 KKGF biogenic,in-vitro CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](CI)C4=C(CC[C@H](O)C4)[C@@H]3CC[C@@]12C 253634925 QJHZPCLORSPENH-FOALKKSMSA-N 512.560 7.804 50 1 KKGF CCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24OO3 253680252 BVDCSUCKQJSEMS-SHZOWBATSA-N 618.764 6.104 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 299848730 WESCDBGGMVOYJU-PSDSAYOISA-N 634.807 6.585 50 1 KKGF FC(F)(F)c1cc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(C(F)(F)F)c1 587111106 OIYLGONUYFGTPT-UHFFFAOYSA-N 563.230 8.806 50 1 KKGF COc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] 587320536 FPYSDKXCJYTIDC-HYBUGGRVSA-N 550.764 6.059 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@H](Br)[C@H](Br)c1ccc(F)cc1)CC2=O 587467876 TWKUSZUJYQWQDU-LGPLSSKUSA-N 580.263 7.383 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587508875 FTACEGBNCHCFFQ-VTIYRKAUSA-N 502.614 6.102 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531761 JHRVQLYHRAJQNA-YTMVLYRLSA-N 524.082 5.406 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537589 IISWBWCDDDAYFZ-GBXCKJPGSA-N 514.328 5.123 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538750 RNRQIVKFCIFZFF-LEAFIULHSA-N 599.264 6.938 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 587685295 PKRFOZGBAULXQY-CRYYWNKWSA-N 527.865 6.198 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587685595 AATZTEQKBPHIFI-ZBSNKRKSSA-N 572.866 5.056 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587690045 YYWSEFJZEKWBSK-CIICLBFASA-N 527.821 5.525 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587712516 BCEHPRWPULOFTN-KFHYURDBSA-N 681.058 6.865 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 587840912 OFYBPVWKFHPTPA-OYHNWAKOSA-N 511.844 5.033 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCCl)(c1ccc(Br)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676257 HODTZDZJHJUZAV-MUUNZHRXSA-N 610.898 7.836 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@@]6(CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc16 962950991 FKSSXJOCDHCBIB-YWGWPVGPSA-N 696.222 6.886 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)Cc1ccccc1Br 962988458 OICDULJOVWKLBS-MUUNZHRXSA-N 591.329 6.454 50 1 KKGF COc1ccc2c(c1)[C@]1(CC(C)(C)CC3=C1[C@H](c1cccc4ccccc14)C(C#N)=C(C)N3)N[C@H]1CC[C@H]21 962998773 VWBUSWDNGZYBBF-FCGSNBBZSA-N 501.674 7.152 50 1 KKGF Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC[C@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)n1 963080017 SYEAACMRUXNWPV-DHJZLKEGSA-N 996.388 7.851 50 1 KKGF S=C(SSC(=S)N1CCCO[C@@H](COc2ccccc2)C1)N1CCCO[C@@H](COc2ccccc2)C1 1772621091 QAKIIERVLLFPRB-DNQXCXABSA-N 564.820 5.277 50 1 KKGF COc1cc(/C=C/c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(OC)c1 1857537762 XRWZTUPDNNSGAE-QZQOTICOSA-N 573.693 8.027 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCOC(=O)/C=C(\C#N)c5ccc(C(F)(F)F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857571641 IRZZWAHFMQSSOZ-URUXSBGHSA-N 745.879 10.106 50 1 KKGF C[C@@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857574369 SIJFKEWHPRGGIM-MRXNPFEDSA-N 510.359 6.040 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356294865 RTCUQKJLIZGMBT-HYSAGDLFSA-N 849.177 7.471 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@]3(OC[C@@H](OO3)[C@@]3(C)[C@@]4(C)CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@@]4(C)CC[C@]32C)C1(C)C 2356333369 RAPGDEKELRZXMW-DPWLWLIQSA-N 544.817 8.247 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCc4ccccc4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356350108 UYIPQQHFQLTYCY-ZBLNETKUSA-N 986.443 9.164 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](OCNCCCCO)CC(=O)CC2 2356369958 VZLVEYRSYOBGHC-SANMLTNESA-N 599.815 6.589 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)OC[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356385629 SMBRCTKINONITE-ZAXXIDHWSA-N 815.115 6.453 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC)C3)c2O)C12CCCC2 2356408312 BEERVUVFHSNLLS-ONBSIXOKSA-N 867.232 9.101 50 1 KKGF CC1=C[C@H](OC(=O)c2cccnc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@@]2(C)O[C@@H]2CC1 2356541061 FDAHWIIHUAQTGL-TWPQRDRWSA-N 682.770 6.573 50 1 KKGF CO[C@@H]1C=CC=C(C)C[C@H](C)[C@H](O)[C@H](C)C=C(C)C=C(C)C(=O)O[C@@H]1[C@H](C)[C@H](O)[C@H](C)[C@]1(O)C[C@H](OC(=O)C=CC2=CC(=O)OC2=O)[C@H](C)[C@H](C(C)C)O1 2356716453 NCGWSFZKZKXDRF-QBTHKSTOSA-N 756.930 5.226 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3C=CC[C@@H](CC[C@H]4Cc5c(c(OC)cc6c5[C@H]1[C@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 2356753951 QZYOKYZZNZSPPP-CKLGRGLVSA-N 670.849 7.447 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC5=C(CC[C@@H]6CC7(CCCC7)C[C@]56C[C@]5(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]5O)CN4)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356846975 OSJSKVRDAMGAEU-JONSPUDFSA-N 871.087 5.158 50 1 KKGF N#Cc1c(C#N)c(SSc2c(C#N)c(C#N)c(N)n2-c2cccc3ccccc23)n(-c2cccc3ccccc23)c1N 1655797 UPNIFNIOQOKMKL-UHFFFAOYSA-N 578.686 7.025 50 1 KKGF COc1ccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2OC)cc1 5596232 MNEFCAVMJFMBBU-HEXIMOTKSA-N 523.597 5.521 50 1 KKGF Clc1ccc2c(NCCNC3CCC4(CC3)OO[C@]3(c5ccccc5)CC(c5ccccc5)=C[C@H]3O4)ccnc2c1 14140319 HDZDLBNQQBBREK-ZWUAOOEKSA-N 568.117 7.258 50 1 KKGF COc1ccc([C@](C#N)(CCCCCN2Cc3cc(OC)c(OCCCl)cc3C2)Sc2ccc(C)cc2)cc1OC 26251972 YDTIRKUHMBTUAS-MGBGTMOVSA-N 595.205 7.726 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CC(=O)O)C(=O)O)c2)cc1 27762313 CCLWDTMZDZRMLS-QEMZJVQQSA-N 591.686 5.180 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(C(=O)O)c1)C(=O)Nc1ccc(C)cc1-2 44053131 RHEZKUOKUQRFOV-HWKJUCOASA-N 551.263 6.568 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]2O)c(O)c(OC)c1O 85567687 YHKHYVBCLUKDQR-NGUFYDPCSA-N 686.845 5.811 50 1 KKGF biogenic,in-vitro COc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1C(=O)NNC(=O)C(=O)NNC(=O)c1c(OC)cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c12 150605564 QSCYZIMMPMLFHW-UHFFFAOYSA-N 828.882 7.574 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3cccc(C#CCCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309795 DTMALESYWURLBA-OKLLLVCPSA-N 746.938 7.619 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H]3CC[C@H](O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169357848 MGJIRTKAVNMUAQ-MQSZLKDQSA-N 648.834 6.747 50 1 KKGF CCO[C@H]1[C@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(/C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 257445353 IKFKEJSONUWRCD-RSKZLJMRSA-N 590.713 5.722 50 1 KKGF endogenous,in-man COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299831790 RWPJHYYGAGYJMG-LDTVWOOLSA-N 846.465 6.345 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCC(=O)NCCS[C@H]1CCO[P@](=O)(NCCCl)N1CCCl 299858234 DLYDHXFWSSMGFM-KJAVYNQBSA-N 732.884 11.102 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3c(Br)ccc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057912 XWTWIMWUGYXWHZ-NTEUORMPSA-N 565.096 7.866 50 1 KKGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319191 ANTPWRXUJTVMOL-NNBLJZJSSA-N 507.359 5.517 50 1 KKGF O=C1C[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587510061 WCVKMHQZIHBFSG-HXUWFJFHSA-N 518.167 6.602 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl 587544325 NRRIUFHRNPMMDZ-SHQCIBLASA-N 528.819 7.202 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(F)(F)F)cc1 587546242 IPGOZGLMJUTMFT-IGKIAQTJSA-N 527.926 6.914 50 1 KKGF CC1=C([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 587720715 UGRAIKGROBWRGL-QWBSFEKESA-N 606.979 6.854 50 1 KKGF Cc1onc(-c2ccc(Br)cc2)c1[C@]1(CBr)c2cccc(F)c2CCN1[C@@H]1CCSC1 962713375 RDUKPEZXFLHRMS-KOSHJBKYSA-N 566.334 6.554 50 1 KKGF C[C@]1([C@@H](Br)[C@H](Br)c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903403 XAVFJXGYCLMSCX-ZMMAXQRCSA-N 505.609 5.193 50 1 KKGF CC(C)(C)c1ccc(-c2[nH]c3ccccc3c2[C@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963032093 BXSMTTXXNWSXCE-YWZTWLIPSA-N 731.239 10.153 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CBr)(c2ccc3cc(OC)ccc3c2)N1C(C)=O 963317450 QJOJLLTYAWMDAB-CXUZTKPISA-N 832.726 6.290 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1ccc2c(c1)OC(F)(F)O2 963915329 MDRRFBMFADPOMF-MZNJEOGPSA-N 554.384 5.592 50 1 KKGF CC(C)=CC/C=C(\C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](Br)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]3CC[C@]12C 1772645995 FPOVVWBGHOROIZ-VXVXNHNRSA-N 626.558 9.654 50 1 KKGF COc1ccc(-c2cc(-c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)[nH]n2)c(OC)c1 1857773230 SPILUJYIGSTJQO-UBCDDCCNSA-N 562.663 6.348 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCCO)CCCCC6)c(=O)oc5cc1O2)[C@H]43 2356313642 PIHJOTODNOHHKJ-UBZIMRTJSA-N 927.199 6.179 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H]([C@H](CCc3ccccc3)SSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 2356419268 LVEXCXWMPTZWQP-GHLSBOQCSA-N 749.096 7.611 50 1 KKGF CCCCCCCCCCCCC[C@H](C)CC(=O)OC(=O)C[C@H](C)CCCCCCCCCCCCC 2356496013 BNNALAXBAYADRW-MEKGRNQZSA-N 522.899 11.511 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356543213 IIXNSKYSPHYGGM-XZDFZPMESA-N 901.239 5.838 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356673038 GBRNLMZUGJLBJN-DAJNKXPLSA-N 931.227 8.593 50 1 KKGF CO[C@H]1[C@@H](C)[C@@H](CC(=O)OO)O[C@@H]([C@@H](C)[C@H]2O[C@@]3(CC[C@](C)([C@@H]4CC[C@](C)([C@@H]5O[C@H]([C@@H]6O[C@](C)(O)[C@H](C)[C@H](OC)[C@@H]6C)[C@H](OC)[C@@H]5C)O4)O3)C[C@@H](OC)[C@@H]2C)[C@@H]1C 2356703996 DHYSCHSUXDLLKZ-ISJALGCVSA-N 815.051 5.540 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OCCC(C)C)c1O 2356768227 LAHZAMUNMXIZPN-AUSZPPGZSA-N 666.902 8.626 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN[C@H](CCc2ccccc2)C1)C3 2356770892 KOKCMPXWYOVPLN-JYJXOPCRSA-N 774.911 6.423 50 1 KKGF CC(C)(O)[C@H](O)CC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@H]([C@]3(C)CC[C@]4(C)OC(C)(C)[C@H](Br)CC[C@@]4(C)O3)O2)O1 2356799168 UBZUCFVOKWMNDV-HNUKFUBBSA-N 619.678 5.574 50 1 KKGF CN(C)CCNC(=O)c1ccc(NCCCc2ccc(N(CCCl)CCCl)cc2)c2cc3ccccc3nc12 26497751 LCIQCGUCRKNNDP-UHFFFAOYSA-N 566.577 6.008 50 1 KKGF O=C(c1ccccc1C(F)(F)F)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br 72177340 XWKVBRXAACFNQL-CYYJNZCTSA-N 617.132 7.393 50 1 KKGF CC1(CCC(=O)NCc2cccc(CNC(=O)CCC3(C)OOC4(CCCCC4)OO3)c2)OOC2(CCCCC2)OO1 103239202 OBAFLFQKVYJHLD-UHFFFAOYSA-N 592.686 5.053 50 1 KKGF CC(C)(C)N(C(=O)c1ccccc1)N(SSN(C(=O)c1ccccc1)N(C(=O)c1ccccc1)C(C)(C)C)C(=O)c1ccccc1 150572455 AMJJFNMBZXOVPY-UHFFFAOYSA-N 654.858 8.194 50 1 KKGF COc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1C(=O)C(=O)NNC(=O)C(=O)c1c(OC)cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c12 150605576 KJOVHBAMVGDCPK-UHFFFAOYSA-N 798.852 8.565 50 1 KKGF CCCC[C@@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372815 ZYVYKCLKFGRXRO-VESHUERGSA-N 604.737 5.714 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](C)[C@H](CC(C[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169615555 CRSJHIRCVZDTHB-RVUNRCORSA-N 832.066 7.556 50 1 KKGF 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758.228 5.555 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587327391 FWCOAJNDXCMHID-WNJJXGMVSA-N 576.398 7.687 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OCc2ccccc2)c1 587538347 PGQFZPHXHSAETQ-LSYYVWMOSA-N 517.375 6.223 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587552486 AEUGHZHTHDBWSC-JBFPKKRJSA-N 691.192 7.239 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 587739467 HCNQSOQBOUTIIL-KKDJZPIXSA-N 719.780 9.141 50 1 KKGF Nc1c(Br)cccc1SSc1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1N 587895338 CQCFQAHCPFWZIR-UHFFFAOYSA-N 567.361 6.430 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12C(C=O)=COc1ccc(Br)cc12 961772220 BUBMDXJCGSACPL-AREMUKBSSA-N 511.416 5.319 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CBr)(c2cncc(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962565757 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775.874 9.393 50 1 KKGF O=C1N(Cc2cccc3ccccc23)[C@H]([C@@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc2ccccc12 169300884 ULCDVWDXJDWVKK-KQQMQGIYSA-N 669.663 8.778 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169354494 LTLNAIFGVAUBEJ-CSNQIPOLSA-N 826.475 6.085 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195484877 STPFNZPGQPDBNI-XBYSBRQOSA-N 586.011 6.526 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2n1 587617579 KJXYBJSKAFGTSO-RXFWQSSRSA-N 508.983 5.673 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685597 ACFSLXZECFRESS-HWRSSNJWSA-N 519.842 5.799 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 587710459 GLMGFYXUUPURKY-WNWIJWBNSA-N 550.015 7.087 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 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C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 963162719 YOIFLLKAANMXFO-ZSFNYQMMSA-N 695.219 8.024 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCOC(=O)CCCC[C@H]4CCSS4)c4ccccc34)[C@@H]21 1857749421 WEPZDWYDGRJANV-WTYVLRPYSA-N 535.735 6.046 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncccc2c1 1857764067 MKJDZRIQMPOGFS-AREMUKBSSA-N 602.739 6.330 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356291943 HUEMZWCZVCMVSA-VNBLENSISA-N 771.063 5.905 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356299418 CSOVFIRORFSVQM-BEBZAPMNSA-N 952.296 10.815 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356321634 GQZGNRFZYWIVHF-YIJWBAPTSA-N 700.020 6.537 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCCO)(CSSCO4)[C@@H]85)C[C@]4(CCCC45CCCC5)C[C@@H]7NN6)[C@H](O)[C@@H]3O)c2c1O 2356355100 BWECGMPYEBPKNN-GBIZOOKBSA-N 943.191 5.708 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)CN[C@H](C)Cc1ccccc1 2356356013 JVDXWLWUNKJCTG-OBUKSRPMSA-N 686.978 5.783 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@@H](SSC4)[C@@H](C3)C[C@H]12 2356363655 LEDBRCQWCQYGTC-RTEVEGMRSA-N 696.123 11.687 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@@H]2CSSC[C@@]3(NC(=N)NCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356369613 RZLVWQARDAHDBP-PKPQZHGRSA-N 782.982 5.392 50 1 KKGF CC(C)=CCC[C@H](C)[C@@H]1[C@@H](O)CC(C)=CCC=C(C=O)[C@H]1[C@@H](O)[C@@H]1OC(=O)C2=C1[C@@H]1C[C@@H]1[C@H](C)C[C@H](O)[C@@H]2[C@@H](C)CCC=C(C)C 2356557272 IEWUYJSHCSXBOC-OONRHQEZSA-N 636.914 7.446 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5[C@H](C[C@@]67CCC[C@@H]6[C@@H]5CC[C@@H]7[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356600236 FLXDJURQBXYETA-LUHRYISXSA-N 998.321 8.562 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@H]6C[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC7=CC[C@H]6C[C@H]7SS4)[C@H]5[C@@H]2O)O3)c1O 2356677827 JZVZKBRBOAYSOT-WSJBHHBMSA-N 909.223 9.162 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCCC[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356776075 DCYLWSXAPCXWNL-GDBBNXIYSA-N 922.260 6.624 50 1 KKGF CCC1=CC2=C(C#CCc3c(CNC)c(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OC)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@H]2O4)C3)N[C@H]1N 2356816609 DDDHUVIPEYAIHK-JJGMJZALSA-N 957.272 8.982 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1C=C[C@H]4CC1 2356824137 GSWKIRPBJKKPDT-AYRCVFCZSA-N 849.048 6.002 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356828061 IRWPIYKCKOBIQT-CKPRSBTQSA-N 941.270 7.604 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356841291 NGQAJNKLKGSRKW-LUWYUZSYSA-N 799.117 5.747 50 1 KKGF COc1cc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1 44419257 XKQNQDNVLFMYGM-UHFFFAOYSA-N 575.496 8.035 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3cccc(F)c3)c2c1 72176261 WCEIRAJZMGDDRR-UHFFFAOYSA-N 513.404 6.441 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]1[C@H](CC[C@H]3[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]31)SSC21CCCCC1 85597156 FZZRIEDNTMQDOE-OPJIGZRCSA-N 847.113 8.121 50 1 KKGF biogenic,in-vitro CC(=N/NC(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1)/C(Cl)=N\Nc1ccc(F)cc1 103293963 FOFDLERTUOHBBN-HNOFFMSZSA-N 509.372 6.102 50 1 KKGF CCCCCCCC[C@H](OS(=O)(=O)O)[C@@H](Cl)CCCCCCCCCCCCOS(=O)(=O)O 169621802 IENDHJUGFNARNE-VXKWHMMOSA-N 537.181 6.643 50 1 KKGF CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=C(Oc3cccc(O[Si](C)(C)C(C)(C)C)c3N2)/C(=N/C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O 169748479 CRYHGQHDLPBRAY-CGRNWXITSA-N 915.122 7.972 50 1 KKGF investigational CCCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O 231928864 FPZCWGAMOFPTED-XYFKFFRISA-N 620.935 8.589 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCC(C)CC1)OO5 254136631 ABAPNRUCCZDZNU-PGALZREESA-N 675.904 7.184 50 1 KKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)NN=Cc1cn(Cc2ccccc2)c2ccccc12 299816827 UBVSJPYQWSTXIQ-UHFFFAOYSA-N 529.669 6.482 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299841649 ZMYCLKSPUUAQFN-BDRXUDNBSA-N 945.072 7.011 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 587009782 SDKBOAVMQBAYPS-QFIPXVFZSA-N 557.935 6.093 50 1 KKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537431 FKXJYYVTBULQBL-RRMNDIELSA-N 522.233 5.689 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 587712161 OENUOBFZKYTGLO-XLFHBGCDSA-N 560.021 6.542 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 587717432 WZPDPWQUUCSYMY-ILLFQZMFSA-N 612.440 7.975 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@]2(CCCC(=O)[C@@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 962573314 QZUSMGDDUWUQAB-APJNYFBKSA-N 561.432 5.054 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1-c1ccc(Br)cc1 962759170 BJBVSQLISPTSFJ-JTHBVZDNSA-N 525.796 5.985 50 1 KKGF Cn1cc(C(=O)CCl)cc1[C@@]1(C(Cl)(Cl)Cl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963095261 MVOLUWSSWGFBCN-SVXHESJVSA-N 692.470 8.364 50 1 KKGF Cc1ccc([C@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 963095282 NCKQHSJXJFSAFE-YBZKQSBQSA-N 572.148 8.089 50 1 KKGF Cc1cc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)ccc1Cl 1772584936 HUJQZGIRUYGBOO-QFIPXVFZSA-N 516.869 6.625 50 1 KKGF O=C1C(=O)N(CCn2cc(COCCOc3ccc(/C(=C(/CCCl)c4ccccc4)c4ccccc4)cc3)nn2)c2c(Br)cc(Br)cc21 1857581645 IVLUDSZLUWHDNP-NMSHJFGGSA-N 790.940 8.216 50 1 KKGF Cc1cc(=O)oc2cc(OCCCCCn3cc(CNC(=O)CCCC[C@H]4CCSS4)nn3)ccc12 1857748143 ILTTWMGZXYOROO-QFIPXVFZSA-N 530.716 5.273 50 1 KKGF C[C@H]1N[C@@H](C(=O)NNC(=O)c2ccc(Nc3ccnc4cc(Cl)ccc34)cc2)Cc2c1[nH]c1ccccc21 1911573066 RZLARPMCBCQXDA-AKJBCIBTSA-N 525.012 5.150 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O6)C4)C1)C2 2356300007 JPVODEHOYIZATK-GLUBUMCQSA-N 884.133 8.792 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@]([C@@H]4C=C[C@@H]5CCC[C@]5(C[C@H](O)CO)C4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356301817 YPJNVFUAPXFXJI-ULPHHIFHSA-N 958.256 8.092 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 2356307104 XJNZVDMVCHYTDM-CBQGXLKCSA-N 689.725 6.325 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H]2c3cc(OC)c(O)cc3CC[C@H]2SSC[C@H]1c1cc[nH]c1 2356352991 FQMLXFFUEJOKFX-LDDPPBQKSA-N 531.740 6.394 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2C[C@@H]([C@H](C)[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC24CCCC4)[C@]1(CO)C[C@H]3CNC(=N)N[C@@H](C)O 2356358766 WKHZISBXNZWOQY-VZIANDACSA-N 995.451 6.893 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@H](O)CC[C@]4(C)[C@@H]5CCC[C@@H]5N5CC#CO[C@@]2(CCC2=CC(=O)OC2)[C@@]2(C)C#CC[C@@]6(C[C@H](Cc7ccccc7)CC[C@@H]6CSSC[C@@H](Cc6ccccc6)C1)C(=O)O[C@@](C2)(N5)[C@@H]34 2356364781 YNFURLHUBWKBPM-XEPWRGFOSA-N 987.382 9.855 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1ccccc1 2356499064 QQQVNLHZIGNJSW-YJCIVHESSA-N 597.891 5.350 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSSC[C@@H](C3)C[C@H]12 2356755825 WWLDPNJTPFHBHX-LCBZHUOTSA-N 724.177 12.325 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCO)c3ccccc43)[nH]c2c(OC)c1OC 3994196 FOBKHNCNHLHIFA-JOCHJYFZSA-N 719.147 6.748 50 1 KKGF N=C(N)N(CCCCCCNCc1ccc2ccccc2c1)CCSSCCN(CCCCCCNCc1ccc2ccccc2c1)C(=N)N 26378008 GUZOVXZGEMFFFN-UHFFFAOYSA-N 715.094 7.766 50 1 KKGF COC(=O)c1c(C)[nH]c2c1[C@H]1C(=C[C@H]2OC(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)/C=C/c2ccc(OC)cc2)C[C@H]1CBr 28108946 LSAHHCLHCBLVPW-PWJCSOFNSA-N 695.655 5.794 50 1 KKGF CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/NC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)C=C(C)[C@]4(C)[C@H]3CC[C@]12C 82175390 IXKSTPXHJUWVSN-CRNMEYLBSA-N 649.876 8.858 50 1 KKGF Cc1ccc(NC(=O)c2ccc(CN(CCCl)CCCl)cc2)cc1Nc1nccc(-c2cccnc2)n1 84375262 KHUZCOTZBCNBNZ-UHFFFAOYSA-N 535.479 6.123 50 1 KKGF COc1ccc2c3c1O[C@@H]1[C@]34CCN(COOC(C)(C)C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H]([C@](C)(O)C(C)(C)C)C2 95541860 VPMKSGYBBBNUDA-KYMPJLGUSA-N 529.718 5.011 50 1 KKGF CCOC(=O)c1cc(Cl)ccc1/N=C(/S)OC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 103195942 NLNPZGSCUUWMKR-NHWHJPKBSA-N 526.051 5.455 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccccc2O)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586955 BVGVNHKJQROPOL-ZFEZZJPFSA-N 746.876 9.190 50 1 KKGF C=CCCCC[C@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC 257569248 VOGBKCAANIAXCI-ZQWQDMLBSA-N 626.963 10.319 50 1 KKGF CC(=O)Oc1c(OC(C)=O)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c2c(c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1)OC(OC(C)=O)O2 299834901 VUSUWMQIHXYSSU-UHFFFAOYSA-N 708.953 9.257 50 1 KKGF O[C@H](c1ccc(Br)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586996617 IEKDOZPFNUNWAF-CYBMUJFWSA-N 508.104 6.827 50 1 KKGF CCCn1cnc2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc(Br)c21 587002877 FCBAXQIHTQUNTF-UHFFFAOYSA-N 560.184 8.172 50 1 KKGF O=C(O)[C@@H]1[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 587012761 YYPSOODNZCQNRR-ZLWXWRSGSA-N 587.008 7.850 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)[C@H]1c1ccc(F)cc1 587323741 STQFDBQVLJNJNZ-XCZPVHLTSA-N 572.257 8.036 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329616 YRNPLMIZCQIRSG-FIBWVYCGSA-N 562.380 6.209 50 1 KKGF COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(F)F 587332354 SBRNRJDXSMPURE-ZJSXRUAMSA-N 523.301 5.791 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)C1 587340874 WBUCMYFWSYTXNT-PKRZSYMLSA-N 684.586 7.939 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)CC2=O 587470419 MUUXNLJPJVDNKR-XLJNKUFUSA-N 506.602 5.881 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Br)ccc(Cl)c1F 587559140 WFBYBJKRONSXMR-LAUBAEHRSA-N 542.582 6.199 50 1 KKGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587674655 YMNJUWBEWJBLML-XTZNXHDOSA-N 522.050 5.532 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N1 587683347 GOYRABUILYMPBR-CAASOKRLSA-N 545.880 6.094 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)([C@@H](Cl)C(=O)c2cccc(Br)c2)N1 587684732 ZYJZGYGWVBLJJM-YQQIJLMBSA-N 630.577 7.381 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)ccc(Br)c2F)N1 587720991 UYBVANFEJVCQEG-CQLKUDPESA-N 544.459 6.316 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587940884 QEUHDQNJRKEZGA-KHHHOAIKSA-N 813.386 5.001 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587960014 NLWXNWWBBBATPE-XSCOUVMYSA-N 528.675 11.075 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 962411103 ZEQAMVKSKRTDFQ-ZLHGTEGGSA-N 720.575 8.904 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CCCCCl)(c2cccc(OC(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962470363 BSNUZKVZULQDCH-KAODMTDESA-N 651.081 7.893 50 1 KKGF COc1ccc2c(c1)c([C@]1(CCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N13)c(C)n2Cc1ccccc1 962671780 SRZYZKKSDACHDU-SAIUNTKASA-N 554.090 6.136 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1ccc(N(C)C=O)cc1 962989900 HGZXLFYDINMQEY-LJAQVGFWSA-N 555.458 5.090 50 1 KKGF CC(C)c1ccc([C@@]2([C@H](C)Cl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C(C)C)c1 963579886 JRJRCQZQPNJUKQ-RIPCNWKXSA-N 622.131 8.476 50 1 KKGF CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1)OC(=O)N(CCCl)CCCl 1857533673 PHMVJSWULBLUSV-JALQGNODSA-N 835.139 14.872 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)C5CCCC5)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356291956 IHACHMRSQJEUHX-UPDMHGMUSA-N 944.273 9.488 50 1 KKGF C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356299627 GFIVDFQIOVMQEW-ODQBEPGASA-N 950.280 10.425 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCCO)CSSCO4)[C@H](O)[C@@H]3O)cc(C(=O)O)cc2c1O 2356499497 FAASLSIQZYQJSZ-LSKQLUDASA-N 816.988 5.211 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](c3cc[nH]c3)[C@H](C[C@@H]3C=CC=C[C@H]3C)[C@H](OC(C)=O)CC(=O)C2)ccc1O 2356600528 OVJHSTQBRSXMIY-QAQOMWBISA-N 555.762 6.657 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356744000 UNUFSKHKVCUJRA-CIQJSQKASA-N 808.079 9.322 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)CCC=C(C)CCCC(C)C 2356772983 NNKZUSAFPLLGKI-XKENXYKYSA-N 599.897 6.366 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356773490 AMXAZBUZAVHELZ-ANHMSFMUSA-N 891.247 8.120 50 1 KKGF O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@@H]5CC#CCCCc6ccccc6C=CC5)CNC[C@@]34O)ccc21 2356831085 JLYWXVQVAJSZCX-KEPCDNNHSA-N 866.047 6.075 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCC(C)C)[C@@H]3C 2356838087 LPYBAHHQHXNAFO-LGNJFUFOSA-N 871.176 12.753 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1C1=CCN=C1 2356863093 VDPAVXGYFSSAIB-HEYHSHSKSA-N 846.013 5.245 50 1 KKGF O=C(NCc1nc2ccccc2[nH]1)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8019035 HYCRWMLICWPLRA-BRWNIOCJSA-N 520.573 5.075 50 1 KKGF CC(C)(Oc1cccc(CCCN(CCOC(=O)c2ccc(N=C=O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)C(=O)O 26747391 JUVSFLKQLLWIKQ-UHFFFAOYSA-N 652.588 7.225 50 1 KKGF CCCN(CCC)C(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145553 SRSFZOYALRVOOJ-RTNVRIMGSA-N 574.850 7.855 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCN(C)C)c3ccccc43)[nH]c2c(OC)c1OC 95543925 IYTDXOSZYKVEJD-XMMPIXPASA-N 746.217 7.317 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@H](CCCCO)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344151 DMLLRSNOEOFTQQ-XRSKQBTRSA-N 871.135 7.201 50 1 KKGF biogenic,in-vitro NC(N)c1cc2c3cc1CSSC[C@H]1C[C@](CCCC[C@H](O)CO)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@@H]1O 150349121 IBRNCTMJAXUTHS-RLJBCTESSA-N 879.134 6.686 50 1 KKGF biogenic,in-vitro O=C(CCC(=O)Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2)NNC(=O)CCC(=O)Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2 169301617 RPKDUSNTVQLLLU-NLBJKKAISA-N 841.066 5.387 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCCCCCCNC(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299815079 SECRIXJVMRDEKZ-JBNZGOJVSA-N 877.082 6.622 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299833465 YCOIJPSIDUQDNN-ZRYKTYFYSA-N 812.448 5.694 50 1 KKGF CNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@@H]1C)OO2 299846938 AADWWXGOTIQUPE-CPFNPTGESA-N 647.850 6.404 50 1 KKGF O=C(Nc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1)c1ccc(Br)cc1 586983402 CEHGNXVQFOTXTL-UHFFFAOYSA-N 597.201 8.665 50 1 KKGF C[C@H](Br)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322541 NDTJQDWDGWZPLU-YZCBWUASSA-N 520.192 6.332 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)[C@H]1c1ccc(F)cc1 587324160 WQAHIAFEYPSKDQ-YTMVLYRLSA-N 515.378 6.752 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326675 MKIPGPLVIVEGGP-BKMJKUGQSA-N 515.921 5.061 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335746 ORUPJPGZGMRLBQ-ODGPQVTHSA-N 503.295 5.163 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 587536271 TYPGLWNGVGUHSG-LJAQVGFWSA-N 506.067 6.592 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 587670466 KPPQVVZILKHNBR-XLFHBGCDSA-N 537.021 5.390 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 587684986 NJWQPUVRLKVIII-BSEYFRJRSA-N 522.245 6.245 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 587803311 OWENRKRPCMYNOX-ABZZXUASSA-N 518.386 5.866 50 1 KKGF CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCBr 653887501 JDKAXHLDRKZDKM-XAPODPEKSA-N 923.209 10.468 50 1 KKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 963613798 VZTJOSFOAMCBTK-NSPYISDASA-N 512.288 5.914 50 1 KKGF COc1cccc(-c2cc(C(=O)Nc3ccc(-c4ccc(OCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)cc4)cc3)ccc2OC)c1 1857559009 UDEWXQTXSNESMB-UHFFFAOYSA-O 728.849 10.053 50 1 KKGF CCCCCCCCOc1c(OC)cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857564795 ODMWMNDXPJWEJB-BOZSRJCUSA-N 613.715 6.754 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc5c(cn4)CC[C@@H]4CC6(CCCC6)C[C@@]54C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356299774 GTMQNVSRHDCCQA-UVTHYNNUSA-N 869.071 5.738 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(C)O)CCC=C(C)C 2356349699 LWSGUNGOUFKFAD-IMDIYHSTSA-N 538.769 6.036 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@@H]2O)c1ccc(NCC(C)=O)c(CO)c1 2356354808 AYTRAUIWGRWFQG-DRRXRQFHSA-N 760.975 7.040 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356364619 ZNFDPSHWAGMTAU-XYPAQWJYSA-N 931.227 8.420 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356366790 QLPSZCYQVIFFAX-QJVLXVLPSA-N 789.161 8.260 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@H](O)C1 2356609435 AFQCFHZNGHTGNS-SZLHCGJSSA-N 869.122 7.348 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOC4CCCCC4)C3)c2)N1 2356769546 HRCPUEHXNPZSSC-CXJZQXGZSA-N 795.125 8.410 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356815362 CQICSDPGELOJQB-UPTYPDBVSA-N 985.415 9.916 50 1 KKGF O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@H]5CC#CCCCc6ccccc6C=CC5)CNC[C@@]34O)ccc21 2356831083 JLYWXVQVAJSZCX-BOPDRWNLSA-N 866.047 6.075 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CCC[C@@H]1C=Cc1cncn13)C1=CC2=CN[C@@H]1N 2356850898 QBNGJSQFJPSVQP-RCBCPUMKSA-N 670.901 6.652 50 1 KKGF N[C@@H](Cc1c(SSc2[nH]c3ccccc3c2C[C@@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 27429602 MCNYLFAPBYIPPD-RNPORBBMSA-N 648.858 5.821 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3CC(=O)O)c2)cc1 27769106 SBKRXRBSYULDPT-RBJSKKJNSA-N 533.650 5.337 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@H]3CCl 82182207 OPQNJWHDOOQHIJ-YADHBBJMSA-N 735.665 7.918 50 1 KKGF CC(=O)OCC/C1=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC(C)=O)SS1 84759546 YIMGKWDGPUQNDH-JTFGNLGHSA-N 570.818 6.569 50 1 KKGF COCC/C(SC(=O)OCCF)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)OCCBr 95539437 BDPSFGOAAYRYTD-ZUELCTOOSA-N 757.826 8.444 50 1 KKGF CC[S@@](=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@H](OCCCl)C(Cl)(Cl)Cl 103219035 SWIRPNBNJSQCLP-CAROCFPZSA-N 607.096 6.561 50 1 KKGF CO[C@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@@]5(C[C@H]6CSSC[C@@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@]3(C)[C@](C)(C4)[C@@]12O 103575176 YFAAPHSWUTXVSI-SBBSCZBTSA-N 571.849 6.072 50 1 KKGF biogenic,in-vitro CNC(=O)CCCSSC(C)(C)CCC(=O)N(C)[C@@H](C)C(=O)O[C@@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C/C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@]21C 238730517 MNGBJGFSOBSOSR-FMHAZONJSA-N 911.581 5.981 50 1 KKGF investigational CCOc1ccc(/C=C\c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 587003787 SQRQFZFZWFAIHO-CLTKARDFSA-N 675.315 10.530 50 1 KKGF Cn1c(-c2ccccc2)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587328450 UMQXGYADGKZXBP-JTSJOTPCSA-N 511.980 7.183 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cccc([N+](=O)[O-])c12 587644999 UDQZUUUWUMSEKF-VAVVLIBISA-N 573.473 6.076 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587672107 XTRSFLSDBZUAHQ-BUNUKWNGSA-N 577.288 6.030 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587689522 TZKLNPQWZGZNJE-ASHKIFAZSA-N 577.878 5.586 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 587689791 WHHSZPROKHWSQR-RKNYENMMSA-N 505.815 5.741 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962629117 RKCYQTMWOLHJOU-MMXHANLZSA-N 617.089 7.015 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCl)(c2ccc(Cc3ncc(C(F)(F)F)cc3Cl)s2)N1 962716702 XFZNCAASWPNWBF-NQIIRXRSSA-N 587.344 6.645 50 1 KKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2cccc3ccccc23)(c2cn(CCCCCBr)c3ccccc23)N1 962949598 PYXLECNQTHZQQV-RGJYROARSA-N 590.609 9.057 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc(Br)sc2Br)N1C(=O)c1ccc(Cl)cc1 963002697 DIPBXVDFVIELFZ-HOYKHHGWSA-N 643.184 7.042 50 1 KKGF COc1cccc2cc3c(nc12)[C@@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)NNc2ccccc2)c1)NCC3 963050034 CLZLQMKUMQWXFE-SSEXGKCCSA-N 524.024 5.419 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857540308 UGOWTMYHXHCESE-QYEHROKOSA-N 533.591 7.671 50 1 KKGF COc1ccc2c(c1)C(=NNC(=O)c1ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc1)C(=O)N2 1857554879 MXJNFYPZUFWINI-UHFFFAOYSA-N 531.878 5.098 50 1 KKGF C[C@@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857595797 WGRWGZGAFAYEGT-MRXNPFEDSA-N 549.427 7.863 50 1 KKGF N#CC1=C(N)OC(c2ccc(Cl)cc2)=C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 1857597193 NPOAKDNVUFRFCB-LJAQVGFWSA-N 557.053 7.620 50 1 KKGF COc1c(OCCCCBr)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4 1857599096 LJQMGDMQRCTCJR-UHFFFAOYSA-N 543.454 6.907 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](Cc2ccccc2)SSC1 2356321963 JKAJGSVUUBCEFD-BGOLNKOXSA-N 576.784 6.996 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3ccc(O)cc3)=C3CC[C@](C)(O)[C@@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C 2356351798 GEILXPDUBWISAU-WWYZFTNCSA-N 682.989 7.280 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3C=CC[C@@H](CC[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)C3 2356353299 LGWOLFWIBUZOPJ-YJJXMPEBSA-N 730.901 6.343 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@]1(C=C[C@@]2(CCO)CC[C@@]35CCN(CCCOC)C[C@H]3C=C[C@H]2[C@@]15O)C4 2356365553 NWSJYOISIOIEJL-FLOKKBEQSA-N 975.145 5.179 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)C[C@@H](O)[C@H]1CCN 2356380387 DBZVUZYQGKMFLI-CCMHNRCESA-N 760.072 5.115 50 1 KKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO[C@@H]5CC[C@]6(C)C(=CC=C7[C@@H]6CC[C@]6(C)[C@@H]7CC[C@@H]6[C@H](C)C=C[C@H](C)C(C)C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C 2356404214 HIRVNRFYRHBEHL-YTLXHKLZSA-N 791.302 15.639 50 1 KKGF CNCc1cc(O)cc([C@H](NCCCCO)O[C@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356485931 YWPCUBHEXSXCRR-BNBKYNNMSA-N 750.980 6.726 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@](NC(=N)NCCCO)(CSS[C@H]3CC[C@H]12)C4 2356519931 SRNRVCAGKPCSRQ-VGTWTPAISA-N 823.047 6.171 50 1 KKGF C=C1C[C@@]23C[C@@]1(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@@H]3C(=O)OC 2356673270 FIBPEYBXIIRIQW-GRERTFQVSA-N 506.788 5.058 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356739727 XZVNDTIDGQKYLY-HNUNKLNOSA-N 717.004 5.395 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356741206 UXOKFKROLQSZEM-PHYDUANHSA-N 761.101 6.994 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@]2(O)CC=C[C@@H]4CN(CCCOC)CC[C@@H]42)O3)O1 2356773427 ZBMHFLSUXAMSHG-ZPXBPBKKSA-N 881.032 5.229 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356779729 XGODFPSPLHCSCM-BGOOVGMESA-N 926.293 6.433 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356833862 KKOUMCYYXGDPCH-FNGPCBRZSA-N 933.339 8.620 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356846833 OQVOWBVIJIZBAB-MKMHBENQSA-N 967.176 6.753 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@](C4)([C@@]36C)[C@@]12O 2356876032 ZHFYTBJLENYPMG-IMCCWQDASA-N 621.909 6.288 50 1 KKGF N[C@@H](CCCCCNCCSSCCNCCCCC[C@@H](N)Cc1ccccc1)Cc1ccccc1 28221472 RUCFDPLZBRZEPR-RNPORBBMSA-N 530.892 5.808 50 1 KKGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)NNC(=O)Nc1ccccc1-c1ccccc1 28228908 HEIWTYZBVOVEMO-UHFFFAOYSA-N 537.451 5.330 50 1 KKGF Cc1ccc([P+](Cc2ccc(C(=O)c3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95551575 XGSWNMGDSUWMCL-UHFFFAOYSA-N 817.006 11.756 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 102202089 JTXHATPLRKWRIJ-ZBWUAFSASA-N 525.436 5.580 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@@H]5CNCCC#C[C@@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 150346752 BGBRAXXCZRMUGX-VZMGNTMSSA-N 858.129 5.625 50 1 KKGF biogenic,in-vitro CC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 208144366 ABLPYVIILZGPNT-OYFGVDPJSA-N 554.920 6.726 50 1 KKGF C[C@@H](CCC(=O)N[C@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299848650 UVECCUOFVSIRQV-YPYNWXCSSA-N 746.942 6.670 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054826 CFCWLRPMNZRXRC-GZTJUZNOSA-N 514.438 5.592 50 1 KKGF FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587090409 UNKDVIZIXWTSLI-UHFFFAOYSA-N 712.241 10.322 50 1 KKGF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CBr)cc21 587323200 QAYOGCQFWBQFPB-GGXMVOPNSA-N 529.361 6.273 50 1 KKGF Cn1cc([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587326894 DGQKFGSQCPGNGT-FEWFZWEYSA-N 626.581 8.395 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541485 BYTQHZNKYCOPIL-SVEHJYQDSA-N 546.362 5.673 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@@H](Br)C(=O)c2ccc(Br)cc2)cc1 587874965 LNYAPBMLQDWBBA-XMMPIXPASA-N 622.140 6.295 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(/C=C/C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653773193 LGRMQYSIAMJINI-DADGBPGOSA-N 642.715 6.654 50 1 KKGF CC[C@@H](Cl)CCn1cc([C@@]2(C3C(C)(C)C3(C)C)c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N2C(C)=O)c2ccccc21 961956018 XJEROVXOZUYIAK-ZKRLPMTFSA-N 697.320 6.666 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]12C=C1CC[C@H]3[C@H]4C[C@@H](Br)[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]1(C)CC2 962047310 URGKWLFRUMKUAA-VZJCOQIXSA-N 760.770 5.230 50 1 KKGF COc1ccc2c(c1OC)[C@]1(c3cc(Br)ccc3OCC[C@H]1Br)N(C)[C@H](C)C2 962632439 ROFOMMLULZAZEY-NHLCRCCNSA-N 511.254 5.132 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@H]1c1ccc(OCCBr)c(Cl)c1 963000540 XYWGFVYETFQWDE-MUUNZHRXSA-N 607.328 6.531 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2ccc(C(F)(F)F)c(I)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963082996 NHMFXTVXIALDKX-VWMWMKPNSA-N 948.463 9.905 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1cc(Cl)ccc1Cl)c1ccccc12 1772604180 KEGMFKGFQRKPDT-PSXMRANNSA-N 667.516 6.743 50 1 KKGF CC(C)c1ccc(NC(=O)CO/N=C2\CC[C@@H]3[C@]2(C)CC[C@@H]2[C@]34C=C[C@]3(C[C@@H](O)CC[C@]23C)OO4)cc1 1772630088 DDLIJHSYZKQZOT-UWVFFLFGSA-N 508.659 5.508 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCCCC(=O)O)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 1857545441 LWDANWYLPNCHQM-LICLKQGHSA-N 544.448 5.590 50 1 KKGF COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(C#N)cc2)c2ccc(Cl)cc2Cl)CC1 1857609421 LWBLFKWXBXEZMX-UHFFFAOYSA-N 567.521 5.307 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCCC[C@H](O)C4CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356292507 RFJGUVCEQFBYDL-MTZPNJCMSA-N 918.235 9.098 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356295483 ZSDQGZXIJCXAIX-QIHVXQKPSA-N 741.976 7.534 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@H]43 2356296764 NUTXGWYFYFLIEG-LHMLFBIQSA-N 727.905 5.284 50 1 KKGF 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CC1(C)O[C@@]2(C)CC[C@@](C)([C@H]3CC[C@@H]([C@@]4(C)CC[C@@H]([C@@](C)(O)CC[C@@H](O)C(C)(C)O)O4)O3)O[C@]2(C)CC[C@@H]1Br 2356799169 UBZUCFVOKWMNDV-SQMDKHDASA-N 619.678 5.574 50 1 KKGF C=C1[C@@H](CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)C(C)(C)[C@H]2CC[C@](C)(O)[C@@H]2C[C@H]1OO 2356800264 PWINAHBZPRMJKO-QAQSWXEASA-N 508.740 5.490 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356859287 SSYIRYVDDDPCOP-MVKCUJCRSA-N 924.063 5.952 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356865531 MAYYKYZWGZLBPC-FBHGAZRBSA-N 822.131 6.282 50 1 KKGF COc1cc(O[Si](C)(C)C(C)(C)C)c(B2OC(C)(C)C(C)(C)O2)c2ccn(S(=O)(=O)c3ccccc3)c12 205359113 JSIVVAWHYWQKJK-UHFFFAOYSA-N 543.567 5.570 50 3 KKGF C=C(CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@]3(C)CC[C@@H](Br)C(C)(C)O[C@H]3CC[C@]2(C)O1 28257480 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CC1(C)Oc2ccc3cc(CBr)c(=O)oc3c2[C@@H](OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 150549581 OSKOMDXPCLXILM-AAWZTCHBSA-N 715.590 5.599 50 1 KKGF C=C(OO)N(Cc1c(C)c([C@@]2(c3cc(C(C)C)c(O)c(CN(CC(=O)O)CC(=O)O)c3C)OC(=O)c3ccccc32)cc(C(C)C)c1O)C(=C)OO 150659949 PKQSKZVHFDBFQB-KXQOOQHDSA-N 720.772 6.119 50 1 KKGF CCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253991709 QDLRLYPWXMVZLU-ZEFAQLQCSA-N 577.501 5.830 50 1 KKGF CC1(C)C(O)=C(C=O)C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 299807158 FRDYBUXTGDPYDL-FUNQTLRXSA-N 500.720 5.726 50 1 KKGF Cc1cc(Br)ccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586981098 KPUKWIFYIGMBFY-UHFFFAOYSA-N 522.131 7.633 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587499955 WXWQFMCWGMPALI-WDUQMZBXSA-N 693.664 7.583 50 1 KKGF 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Cc1cc([C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)on1 963241592 WABWGAFQNAFIBY-YUDQIZAISA-N 634.985 5.248 50 1 KKGF COc1nc(O)c([C@@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(O)c1OC 963863434 WIQRUESADDZDBK-JPOTXEGOSA-N 641.589 6.207 50 1 KKGF CC[C@H](Br)[C@]1(c2ccccn2)c2ccccc2C[C@@H](C(=O)NC)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963928889 QAXVSLCLYLIHOK-DDFVOHJRSA-N 687.726 5.636 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](c2ccccc2)CC[C@]32C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356366599 MSJXOGJMFUVSRA-BKKNWONNSA-N 951.353 10.317 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]([C@@H]1C[C@@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC21CCCCC1 2356469415 MCRMZNCCXDVDOM-YNTNEJHNSA-N 821.075 7.732 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356521304 RHVUWCOPIAXOFJ-AUZYXSGWSA-N 565.746 10.076 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356638331 ZVUXZIIHUFVJDO-PIYPMDTGSA-N 817.121 5.307 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@@H]3CC[C@@]2(C)[C@@H](Br)CC1 2356774865 FAZRQMPAZJJPQF-XECDHFFRSA-N 584.389 7.245 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356812274 BSPLOVWBPFJBAV-QTYBJYCFSA-N 853.028 7.284 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCCC4)c(=O)oc3cc1O2 2356812402 BJJVHDUAUCIUFI-LJYCIQFISA-N 861.140 5.405 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356815620 CTSKRUZQJMPNLL-ZASHGOSFSA-N 834.117 8.617 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356826856 HKUMPBZKBNEBMN-CJHWZIDASA-N 900.041 5.471 50 1 KKGF C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(CCCC4)OO3)c2)cc1)[C@H]1COC2(CCCC2)OO1 42852492 BMSMGNRTIVOHFL-IZLXSDGUSA-N 506.595 6.740 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)NCCCN(CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49780593 GXXLHASEPPTDDK-LQYHIAJLSA-N 653.858 5.675 50 1 KKGF C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](Br)C(C)(C)OC(=O)c3ccc(O)c(c3)C[C@H]12 49917538 REIKJJVRPXQDAV-UVFQQSMRSA-N 665.301 7.458 50 1 KKGF Oc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(O)c(O)c2)cc1O 169330313 QIFVVUCSMMAGMC-UHFFFAOYSA-N 594.888 5.070 50 1 KKGF CCOC(=O)C[C@@H]1[C@@H](CN=[N+]=[N-])O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@@H]1O[Si](C)(C)C(C)(C)C 195446026 JFFMXZJZPQXQFP-XMRFLYQSSA-N 595.737 5.638 50 1 KKGF O=C1[C@H]2C[C@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl 195500960 BCRRQTMYMQMOAZ-VZXVHDRGSA-N 833.172 8.276 50 1 KKGF C[C@H](C[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)C(C)(C)O[Si](C)(C)C)C1=C2C[C@H](O[Si](C)(C)C)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 253681932 HXXQDDLWIFWVCO-ALJOFJSXSA-N 779.457 12.231 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299805969 KVAJQTDLSYOZKU-OPRFGOTJSA-N 535.607 7.751 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 299828352 QWZRHATYSBQMPY-BOABNOFISA-N 638.662 7.141 50 1 KKGF C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@@H]3[C@H]1C[C@@H]1[C@@H]3CC(Cl)(Cl)[C@@H]3C[C@H](Cl)CC[C@]13C)[C@]2(C)O 504098380 SJFDHZXYUNDKRM-MSNYSFQJSA-N 502.998 6.738 50 1 KKGF biogenic CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586938961 YHNMJFQJXIZNDT-AWEZNQCLSA-N 632.880 6.091 50 1 KKGF COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 586953928 SVBLZRNTMHKQIL-CMDGGOBGSA-N 738.555 7.281 50 1 KKGF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 586955774 VFWJVXOOAKRVRA-UHFFFAOYSA-N 560.408 6.860 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(Br)c2)[C@H]1c1ccc(F)cc1 587338559 XNLSMOAQPHQDRN-UNMCSNQZSA-N 524.155 6.082 50 1 KKGF COc1cc2c3c(c1)O[C@](CCl)([C@@]1(OC(=O)c4ccco4)[C@H](C)C[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](O)C[C@@]41C)[C@@H](C2)C3=O 587424334 ZCMJFNAVHLHMTQ-HGWSYORPSA-N 681.609 6.495 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c1C)CC2=O 587462306 XOXBYZVFJKDHBL-GDLZYMKVSA-N 540.012 5.425 50 1 KKGF COc1ccc2c(c1)[C@](CC(C)C)([C@@H](Br)[C@@H](Br)c1ccccc1)N(C(C)C)CC2 962095723 ZUKIGZJQQCFTCK-CCDWMCETSA-N 523.353 7.103 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962572446 OXCSOMQMOCJOPA-OJYCPUHHSA-N 703.198 8.148 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)NCCc4cccc(-c5ccccc5)c43)c2C)ccc1Br 962673517 YYJSPSFDPGNESZ-GDLZYMKVSA-N 519.914 7.460 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1nc3ccccc3s1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808593 RWELYPAWFWKDSV-GDLZYMKVSA-N 546.048 5.545 50 1 KKGF CC(C)(C)OC(=O)/C(C#N)=C/c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1 1857559911 JRWHPCKXNUXBCO-YYDJUVGSSA-N 560.744 9.862 50 1 KKGF O=C(CCl)Nc1ccc(-n2[nH]c(=NCc3cn(-c4ccccc4)nn3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857750821 RSEIXRMYUPFBFB-UHFFFAOYSA-N 553.841 5.033 50 1 KKGF CC(C)Cc1cccc([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@@H]24)c1 2356470714 DUOQAXQZZWOCAC-WAGMHJMBSA-N 678.021 6.885 50 1 KKGF CC(C=CC1=C(C)CC[C@H](C)C1(C)C)=C[C@@H]1C[C@@]2([C@@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@H](O)O1 2356583486 VKLHLMJHQATABJ-SPJNKSISSA-N 500.720 5.804 50 1 KKGF C=CC(=C)[C@H](C[C@]1(C)[C@H](C)C[C@H](O)[C@]23C(=C[C@H](OC(=O)C=CC=CCCCCC)C[C@H]12)[C@@H](OC(C)=O)O[C@@H]3OC(C)=O)OO 2356765004 HXZWRWDSAJYAQI-FKSQHSJJSA-N 616.748 5.730 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@@]3(C=CC[C@@H](C)C3)C2)CC12CCCC2 2356773140 RVXSNDIXXZOGLL-IGKWKKRYSA-N 713.154 10.600 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@H](C2(n3ccnc3)CCCC2)SSC1 2356837801 LNDRVMBNKUXLKJ-GSTAKYNCSA-N 648.895 6.624 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC1(CCCCC1)[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(=O)C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@H]1C2 2356855690 RSJBKCBUDBGVHD-PMKASJGESA-N 668.022 7.855 50 1 KKGF C=C/C=C\CC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CC/C=C(C)/C(C)=C/C=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@H]2CC[C@]1(C)O 257456653 JPBOABGEVHVPNM-ILPSSZAISA-N 656.901 6.476 50 3 KKGF CC(=O)OC(C)(C)[C@H]1CC[C@](C)([C@@H](O)CC[C@](C)(O)[C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 36175859 CFIPFJIKZAGWFH-WMYXADBDSA-N 647.688 5.754 50 1 KKGF COc1cc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2cc(Cl)ccc2C)cc(OC)c1OC 49768159 OZZIYUZPRJCAIE-XKJRVUDJSA-N 522.911 5.596 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](OCNCCc1cccc(O)c1)CC(=O)CC2 85597399 VRSWPWYYYXPLHI-XZWHSSHBSA-N 663.858 6.735 50 1 KKGF biogenic,in-vitro C[C@H](COC(=O)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NC1=NS(=O)(=O)c2cc(Cl)ccc2N1 96939913 HFMTUYSBQJIBLF-XMMPIXPASA-N 621.119 5.106 50 1 KKGF CCc1ccccc1/C=C/C[C@H](C)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@H]1C1=C[CH+]N=C1 150344023 ZLYWOZVNBXAXAW-PWHAEAPWSA-O 871.023 5.579 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)OCC[C@@]1(CO[Si](C)(C)C(C)(C)C)OS(=O)(=O)C=C1NC(=O)NC(=O)c1ccccc1 195308162 YXVQERXKQCZKFP-SANMLTNESA-N 584.884 5.500 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4Cl)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 205444542 NTUUJPGDTCDBSV-CHSHITCJSA-N 638.115 7.624 50 1 KKGF CC(=O)O[C@@H](/C=C/[C@@H](C)CCC=C(C)C)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238731595 HLWDNSYLWSVZSK-NIPZDKAFSA-N 516.763 7.039 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3cc21 586974470 WRNLEKRIHFPWPJ-QHCPKHFHSA-N 679.659 8.870 50 1 KKGF COc1cccc(/C=C\c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 587003161 OYSPSYUXDRVNOA-ALCCZGGFSA-N 582.392 9.377 50 1 KKGF O=S(=O)(Nc1ccc(F)cc1)c1ccsc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587167236 IXLZPTIHYGGAFS-UHFFFAOYSA-N 578.379 7.651 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4ccccc4)[nH]c3cc21 587187827 LSBFBEBQYIYMOT-BWAHOGKJSA-N 609.730 7.887 50 1 KKGF Oc1ccc(Nc2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 587242195 IQOFTVGCYCGGJC-UHFFFAOYSA-N 506.294 8.099 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325941 IDIUEJPMYANCDS-ZEZDXWPOSA-N 526.004 6.209 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587620533 ZOSAPYHMMUPEAB-ISCCJPILSA-N 604.124 7.060 50 1 KKGF O=C1c2ccccc2C(=O)N1Cc1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626968 YWQWJSZMIITMTK-UHFFFAOYSA-N 505.212 5.897 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 587672252 YQXHXBCOOMVURM-ABCOOTEDSA-N 550.060 5.367 50 1 KKGF COc1ccc2c(c1)c([C@@]1(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)c(C)n2Cc1ccccc1 962982182 WJSQXHTWFLXVFK-RBISFHTESA-N 545.413 6.020 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)NC[C@H]2CC(=O)N(C)c3cccc1c32 963030394 QRYSTYMPNOXLFO-ZSOKXDGFSA-N 536.226 6.333 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCC3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041996 PVSZWSKEGKHGNE-ILFWFZRHSA-N 614.088 7.586 50 1 KKGF CC(C)c1ccc(OC[C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963214759 MEGWSKCWYTVMSK-RYWJPUDZSA-N 702.116 7.106 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(C=C(CCl)N(C)C=C1OCc1ccccc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963816643 GJBPIXPPGOFASR-UUWRZZSWSA-N 598.099 5.774 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1OC 1772624654 MBKXDHRXJVGZBV-HSZRJFAPSA-N 528.449 5.680 50 1 KKGF N#CC1=C(c2ccc(Cl)c(Cl)c2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772652143 VBTAHGPSAOULOI-NRFANRHFSA-N 537.287 6.970 50 1 KKGF CC[N@+](C)(CCCCCN[P@](=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl)Cc1ccccc1 1857537936 VFRFRVULRVEXCZ-JJQXXVEZSA-N 578.502 5.159 50 1 KKGF C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(C(=O)N/N=C/c4cccc(O)c4)CC3)cc2)O1 1857563768 PBLLAPXVVXCNMU-LVVPFNMCSA-N 585.488 5.232 50 1 KKGF Cc1cccc(N2C(=O)/C(=C/c3ccc(F)cc3)S/C2=N\NC(=O)c2cc3ccccc3oc2=O)c1C 1857567116 AMJSLKQJCIXBBD-ICEIDMMXSA-N 513.550 5.371 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H](/C=C/[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](O)[C@@H]1CC=NNC(=O)c1ccncc1)CCc1ccccc1 1857594195 DZGWZBYHOLIISP-GVBYMKSZSA-N 652.041 8.154 50 1 KKGF O=C(CCl)Nc1ccc(-n2nc(OCCCOc3ccc(Cl)cc3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857750946 DQPTZWVQMYJURA-UHFFFAOYSA-N 566.272 6.920 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 2356634480 IBSGZOIVJBTMKX-NXNFSMPISA-N 629.342 8.252 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356635448 YREKSGXKWCWKDS-ZDKVKLDLSA-N 759.085 6.484 50 1 KKGF C[C@]12CCC(=NNC(=O)c3ccncc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(=O)c3ccncc3)CC[C@H]12 2356688770 LTANJFVUAIWDNA-YDSYDOTCSA-N 526.685 5.391 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 2356768832 SEBSEOICOUMMTK-ALVDWBEDSA-N 795.081 5.472 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNC7=CC(=CCN7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356837529 LKFQXFGFMJXHPB-LREFWMGBSA-N 648.891 6.915 50 1 KKGF CCCCCc1nc(-c2[nH]c(C=O)cc(=O)c2SSc2c(-c3coc(CCCCC)n3)[nH]c(C=O)cc2=O)co1 14299626 XGYVRFWCPUXVES-UHFFFAOYSA-N 582.704 6.263 50 1 KKGF biogenic CCCCCCCCCCC[C@H](C[C@@H]1[C@@H](CCCCCC)C(=O)N1OCc1ccccc1)O[Si](C)(C)C(C)(C)C 169870092 MQPVFNRUMDNXDR-WRVRXEDSSA-N 573.979 10.617 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCCC[C@@H]4C(=O)O[C@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253648190 WNTGRHJTKAHRDX-YVTHWTPBSA-N 913.111 8.643 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587257373 IQXXCSLQJDZGCU-WTEZFPHBSA-N 982.898 8.973 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(F)cc1 587728338 AKXHVEMAIGSCKQ-ODCWNRFASA-N 507.850 6.405 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2I)N1 587737693 GLVHTQYFBOSMIV-VVVCHXIZSA-N 617.920 6.128 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 587812068 PEDYNUJIHLGHLP-RAYTVRLGSA-N 716.685 5.601 50 1 KKGF CC(C)(C)c1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccc(OCc3ccccc3)cc2)cc1 653786525 MIAUXSUODLASLJ-UHFFFAOYSA-N 530.646 6.780 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962567357 GCBKAZUBOSDIAH-UKPGIYTDSA-N 659.405 6.676 50 1 KKGF Cc1cc([C@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1cccc(Cl)c1 962948726 BCZAWOJKDWVSSN-AREMUKBSSA-N 523.426 6.900 50 1 KKGF O=C(Nc1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1Cc2ccccc2[C@]2(CCCC[C@H]2CNCCBr)N1 963020931 ODSKGUIDXDGYCU-NIFJZCPNSA-N 573.535 5.204 50 1 KKGF CC[C@H](Cl)CCn1cc([C@@]2(C3C(C)(C)C3(C)C)NCCc3c(OC)ccc(Cl)c32)c2ccccc21 963259010 QFEWXFVNJPUKAB-WWOZWPLTSA-N 513.553 7.782 50 1 KKGF Cc1ccc2sc([C@]3(CBr)N[C@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)Cc4ccccc43)c(C)c2c1 963666782 LMUDTZMACWRVIP-SAGWHXFDSA-N 593.543 5.189 50 1 KKGF Cc1cccc2c1[C@@H](c1ccc(N(CCCl)CCCl)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963853966 KSDITOIYKPQDRU-RCZVLFRGSA-N 521.485 6.005 50 1 KKGF COc1c(OCCCCCBr)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4 1857542791 SOSXCNZVYXZKAZ-UHFFFAOYSA-N 557.481 7.297 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CC[C@@H]5C=C[C@@H]6CCCC7=C1[C@@H](C4=C5[C@@H]76)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356360981 SBROLDLEVCLCCV-IAFCFBJRSA-N 813.183 8.282 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356362786 HOBVUZFRWOWIKQ-HSODEIABSA-N 873.185 5.058 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)C[C@H]([C@](C)(O)CCCCO)O3)O1 2356367842 JCKXELRGRPODGL-IKSPVARBSA-N 629.706 5.093 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSS[C@H]3C=Cc4c(ccnc4N3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356403325 GCZLSRBIXDVHDI-ZASHGOSFSA-N 832.101 9.718 50 1 KKGF CNCc1cccc([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@@H]24)c1 2356445939 UAGDOPPOQNCNBA-KQJMIKIPSA-N 666.998 5.630 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356448751 NNFNEBPSFBHKPS-MUJJXZGGSA-N 971.292 9.514 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C3CCCCC3)[C@@H]21 2356733886 DFAJESZZTCQKIT-YZSXCNDESA-N 972.416 8.499 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@@]1(O)[C@H]2CCN(CCCOC)[C@H](CC)[C@H]2C=C[C@H]1CCCO)C4 2356758986 XKGCLTAKPDPXGK-XPGJWRIXSA-N 953.139 5.257 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC)[C@@H]2CCC[C@](C)(O)[C@@H]2O3)O1 2356762487 ADZDLZKCSHINGR-JKRFGTDDSA-N 627.690 5.147 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356817075 DHDUIYFPPVNIEY-KVQWDKQCSA-N 912.052 5.702 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H]([C@@]1(N3C=CNC3)CCC3(CCCC3)C1)c1cc2cnc1N 2356870691 XTSZEWNQWYMCOJ-YYUUFKENSA-N 700.971 8.049 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SS[C@H]7C=CC8=C(NCC=C8[C@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356876076 ZUXXBSHODFMEBI-FPFHARAMSA-N 908.196 7.934 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 44418989 PPTRYJFBJYZPSW-WBVHZDCISA-N 514.423 5.003 50 1 KKGF Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(CC(=O)N/N=c3/scc(-c4ccc([N+](=O)[O-])cc4)n3-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C 95543690 PQQMHJNFTBYQGG-CHJNDSEFSA-N 748.225 5.136 50 1 KKGF Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)[C@H](F)Br)cc2)cc1Cl 103204368 YCYBGBNKJQXOJT-FQEVSTJZSA-N 581.216 7.986 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@H](Cc5ccc(N)nc5C#CCc5c(CNC6CCC(=O)CC6)c(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O6)C4)C1)C2 150343152 DTXPLLQYKJSSNJ-KVGWQNCMSA-N 1009.300 9.563 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@H]2[C@H](CSCCSC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169325456 PAJLLRUDJBTVAE-MJUXHIJTSA-N 654.844 5.230 50 1 KKGF CCCCCN(C(=O)CCCCBr)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 169366023 HMRMTWUTVVIJSI-XWDJPMTQSA-N 537.627 6.802 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055147 KFPJXOWRAUJXKD-CPNJWEJPSA-N 514.416 7.716 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)[C@@H]1c1ccc(F)cc1 587320215 FBHPINPGRGPADC-ILBGXUMGSA-N 563.206 7.142 50 1 KKGF Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2)cc1 587369429 HSKVTDCJROKTKC-BDYUSTAISA-N 525.985 5.371 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587500853 YMDYRTXXXUDHHE-PQHLKRTFSA-N 509.528 8.039 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)OCc1ccccc1 587502363 CBSSGGWOABMSPM-FIBWVYCGSA-N 522.016 6.185 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 587546746 XKVDJRCFBKOYAB-WNJJXGMVSA-N 517.965 5.667 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546752 XLLATVFZJFYELW-FOQVDPGRSA-N 714.215 5.516 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 587687002 YKLOQAXUXKOKDX-BDJFWFNGSA-N 528.293 6.138 50 1 KKGF N#CC1=COc2ccc(F)cc2[C@@]12c1ccccc1C[C@@H](C(=O)O)N2C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962713980 QDBZPJOIKKRJQH-OCZFFWILSA-N 650.657 5.986 50 1 KKGF Cc1c(N/C=C(/C#N)[C@]2(C(C)(C)C)c3ccsc3CCN2Cc2cccnc2)c(=O)n(-c2ccccc2)n1C 963013045 QEFHUJGMOHFOHG-NITRKBDNSA-N 538.721 5.760 50 1 KKGF COc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857542913 WCNFOBSNVPXNBH-JGICCPCNSA-N 618.045 6.209 50 1 KKGF CCC=CCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC=CCC=CCCCCC)CO[C@H]1O[C@H](CO)[C@H](OO)[C@@H](O)[C@@H]1O 2356285038 ZOXXEOPHAYLXLA-RQSIIUAKSA-N 793.092 9.158 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@@H]1CSSC3 2356291693 BBOSEXNOMQBJHY-KRKLLXTMSA-N 957.268 9.891 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CC[C@]5(CCC[C@@H]5CCO)C4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356300689 ORAGVSHRFNUSCK-DGAYMKKISA-N 887.086 5.174 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356355348 TWSLQAZHPDXUBG-XGRMFJBFSA-N 787.057 9.383 50 1 KKGF C=C1C[C@]2(CC[C@H]([C@@H]3CC[C@@H]4CC[C@H](O)C[C@]4(O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@H]2CSSCc3ccccc3CC[C@@H](c3cccc4cocc34)CNC(=N)N2)C1 2356360304 CRULUGJYGFUFIZ-JECRWBOYSA-N 906.356 11.962 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356373385 YTOVLUFKVNKJON-GQOIXJJZSA-N 889.282 9.753 50 1 KKGF C=CCc1cc(BC)ccc1C(C)(C)c1ccc(Bc2ccc(-c3ccc(Bc4ccc(S(=O)(=O)c5ccc(C)c(SOO)c5)cc4S(=O)(=O)O)c(SOO)c3)cc2S(=O)(=O)O)cc1CC=C 2356509677 XUNXVQHKSXSRKO-UHFFFAOYSA-N 996.652 5.649 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4Nc5nccc6c5C5=C4CC=C5[C@@H]4CCC[C@]64C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356567125 HWPCPVHAJCTSBL-ZQUBOVEVSA-N 848.996 5.101 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@]1(C)CC=C1[C@@]23C=C[C@]2(OO3)C(C)(C)[C@H](OC(=O)CO)CC[C@]12C)C(C)C 2356722616 LMEMBPKCZMYYLN-MCHCIZOASA-N 572.739 5.143 50 1 KKGF C[C@@]12CCSSC[C@]34NC(=N)NC[C@@H]3[C@H](c3ccccc3)CC[C@@H]4CCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356768747 UWCFAEXKYVXXIZ-WSGKPRSCSA-N 623.929 5.911 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356777608 ZYZGTQBQNISGID-CIGCNPHJSA-N 817.165 6.828 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@]23CC4(CCCC4)C[C@H]2C=CC2=CNCN23)SSC1 2356806239 AFSKUKXMASAGAJ-QYWGXMRSSA-N 700.971 7.736 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356835207 KPLZWJFGPDIUIZ-WRTFWJFVSA-N 943.334 8.089 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@](CCO)(CCc4ccccc4)C[C@H](NC[C@@H](C)O)CC[C@H]3O)C=C12 2356857084 SGKMBNRXXKIBFE-DCZWCTSWSA-N 997.378 6.259 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356870306 XPPSCLXYRHEQEI-HGTOMNAVSA-N 900.129 7.173 50 1 KKGF CCCCCCCCCCCCCC[C@@H](O)[C@H](O)CC[C@H](O)[C@@H]1CC[C@@H](CCCCC[C@H](Cl)CC2=C[C@H](C)OC2=O)O1 42835327 CUEJIUWACFUTHJ-ZPXZMNBGSA-N 615.336 8.308 50 1 KKGF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)COP(=O)(c1ccccc1)c1ccccc1 43242518 UWWPUKQORDDFMH-JHOUSYSJSA-N 626.690 5.570 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCCCl)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103295744 DZZYKCJDLIGXJS-RBNDYAJOSA-N 549.236 7.292 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@H]5C3)O4)CN3C[C@@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 150348607 XLPURHFSQODTOD-NYLYMOBDSA-N 957.361 9.616 50 1 KKGF biogenic,in-vitro CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c2c1CSSC[C@@H]1CN[C@@H](N)c3ccc4c(c31)CC1=CN=C3C=[N+](C=C13)[C@H](CC#C[C@@H]4O)O2 150349028 AMJCKRFHROXOIG-XHVXMSGOSA-O 713.946 5.472 50 1 KKGF biogenic,in-vitro O=C(OCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 219019089 WRSRUESCMWIIRI-UHFFFAOYSA-O 571.674 7.075 50 1 KKGF CCCCCCC[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928805 XCQVIBNYJYFVME-XSDIEEQYSA-N 674.961 7.861 50 1 KKGF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586939797 FUZGJKNCNDAEGF-KRWDZBQOSA-N 603.433 5.933 50 1 KKGF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)(C)C 587205341 PUWHVOQLEHLBNB-CYBMUJFWSA-N 522.378 7.465 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325553 YRGFAEQYAOXEIX-KGPYPHOUSA-N 564.868 7.082 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587715322 HJLPIDOVOYDSBA-SLVOPZCJSA-N 681.058 6.865 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2F)N1 587719143 PBEFNAQEIZVRHO-HUTHGQBESA-N 510.014 5.663 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(F)cc1 587735456 PXZHRHANUGDGGE-BZQUYTCOSA-N 507.850 6.405 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCCCCl)(c2cccc(I)c2)N1 962715772 PIVVVJRNUOVRHI-ICSRJNTNSA-N 555.737 5.701 50 1 KKGF CCC(=O)N1CCc2cc([C@@]3(CCl)c4c(ccc(F)c4F)C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)ccc21 963033385 DRRIAVKEOLQVHO-XLNFBEDTSA-N 657.113 7.007 50 1 KKGF COC(=O)c1c([C@@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n(C(C)C)c1C 963214675 LVNKOYQJPIYNIC-AIJWEMPKSA-N 747.157 6.737 50 1 KKGF BrCC[C@]1(c2ccc3c(c2)CCC3)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817189 LIJCBJDETFNZCC-GDLZYMKVSA-N 501.468 6.410 50 1 KKGF COc1ccc(C(=O)[C@@H](Cl)[C@]2(c3ccc(OC)cc3)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963915985 QOXZGSPCISMFNA-CPBHLAHYSA-N 632.548 6.580 50 1 KKGF BrCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCBr)s4)s3)s2)s1 1772579725 DFESZDAMAFQHKT-UHFFFAOYSA-N 600.532 10.369 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C(N)=O)cc3)CC2)nc2ccsc12 1772590309 FSUTULJLVZNXGA-ONEGZZNKSA-N 538.677 5.813 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@H]21 1772644590 MKEYQIARNWKWGK-UMSFTDKQSA-N 633.620 6.638 50 1 KKGF O=C(NCc1cccnc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5cccnc5)cnc34)cccc2c1 1772656554 IECYCFVBSXMNAZ-UHFFFAOYSA-N 588.718 6.232 50 1 KKGF C=C1CC[C@@H]2[C@H](c3c(cc(CCCCC)cc3OS(=O)(=O)c3ccc(C)cc3)OC2(C)C)[C@@H]1OO 1857653418 JINNENRMQGYHIT-AVPJRLCVSA-N 500.657 6.574 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)COC(C)=O)[C@@H]1C/C=C1/C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C 1857745597 NHWQFTKOJGNBBM-HMPHPEQUSA-N 548.793 6.134 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C2CCCCC2)Cc2cccc(c2)C1 2356367763 DRXFNYMIVPIAHR-MLWKCEDXSA-N 759.085 6.422 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356372046 WNFHXGVPGGNTOH-OVJOCZJWSA-N 748.913 5.015 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356493345 PCDHKDBACXMISM-CTEYXFMESA-N 910.257 5.331 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSS[C@H]7CC[C@H](CO)C(=C75)C6)[C@H]4[C@@H]2O)O3)c1O 2356693247 DMIOJGCXYNMWOP-NDTGAKMLSA-N 953.276 8.913 50 1 KKGF c1ccc2c(CNCCCCCCNCCSSCCNCCCCCCNCc3ccnc4ccccc34)ccnc2c1 29394227 BGYBUZGYAFCJMC-UHFFFAOYSA-N 632.988 7.344 50 1 KKGF CCCCCCCC[C@@H](Br)[C@H](Br)CCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C 43022036 RUUABZPZVNLUHZ-DHIUTWEWSA-O 594.430 7.835 50 1 KKGF CCCC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 49938245 XDKQQEPZSYBZBY-ULLXOPIZSA-N 646.862 7.781 50 1 KKGF NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)CC2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 85505500 DSSHVYMOFNQHCC-DKHBIINNSA-N 668.022 8.595 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)OC[C@H]([C@@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 85626445 RLHVXUAPDBHMFB-QAPZHQHASA-N 779.082 5.944 50 1 KKGF biogenic,in-vitro O=C(Nc1cc(-c2ccc(O[C@H]3CCCCO3)cc2)cc(-c2ccc(O[C@@H]3CCCCO3)cc2)c1)C(Cl)Cl 95563708 DWHHYIRNBAFNEO-HNRBIFIRSA-N 556.486 7.574 50 1 KKGF C#CCCCC(=O)NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl 95872932 ITAKJWQFIKDXAW-XIFFEERXSA-N 688.674 5.405 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccc(N(C)C)cc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 103011671 NMZAJJKXYKHVET-BCFXMHJWSA-N 548.499 6.646 50 1 KKGF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@@H](N)CSSC[C@H](N)C(=O)N[C@H]1CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc31)CC2 150537743 CDYBDRXSYCFASQ-YDPTYEFTSA-N 951.224 6.180 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)[C@@H]2CCCCN2)C1 169852216 JEJIRIPSVOBZDX-RKKSCDLMSA-N 517.915 7.929 50 1 KKGF C/C1=C/CC/C(C)=C/CC/C(C=O)=C\[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C1 195343077 XJBILGKCOVAJTM-YYNCWFFUSA-N 527.573 7.137 50 1 KKGF CCCCCCC/C=C/[C@H](CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C)OO 223073511 PZGLXPVJRAJRPD-BSNIJKOMSA-O 793.097 11.268 50 1 KKGF in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3cccc(-c4ccc(F)cc4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473123244 UOPGPMPQRAIPTA-HFGBOEAGSA-N 506.614 6.459 50 1 KKGF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 586931307 QKOIPYMKPASZJR-UHFFFAOYSA-N 503.518 7.021 50 1 KKGF COC(=O)c1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c(F)c1Nc1ccccc1 587057690 WMBBAKUEODOFTP-CPNJWEJPSA-N 574.443 8.011 50 1 KKGF FC(F)(F)Oc1ccc(/C=C/c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 587123640 SFVNYRZQUAUVNM-ORCRQEGFSA-N 715.258 11.030 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Br)C1 587321733 DYASETSXHGHWJW-REHUZNOOSA-N 506.368 5.033 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537405 DXXWHFGXMPSFCT-NOXFTYBFSA-N 548.183 5.250 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 587710154 FPLYTCCLDKLNEE-HUTHGQBESA-N 549.122 6.799 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 587714102 URJVNCRKHSERJA-XYZCENFISA-N 515.570 6.433 50 1 KKGF CC(=O)Oc1ccccc1[C@@]1(CCCCCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963450377 TUOKNCCUCIPWAD-HVNZXBJASA-N 545.035 5.898 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCl)c1cc(C)n(-c2cc(Cl)cc(Cl)c2)c1C 963841263 KOOABQFTBABVBO-AYWVHJORSA-N 591.963 7.828 50 1 KKGF Cc1cccc2c1[C@@](CCl)(c1ccc3c(c1)NC(=O)CS3)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863022 MHBIDZYBIGHTBE-WXTAPIANSA-N 517.047 5.158 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]34CC[C@@H](C)C[C@@H]4Br)nc(Cl)nc21 963916509 SWZLUBSAZINHES-ZPBXOSQXSA-N 504.860 5.608 50 1 KKGF Cc1cccc2c1[C@](C)([C@@H]1C=C[C@H](c3ccccc3)[C@H]3C(=O)OC(=O)[C@@H]31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963918034 XKCBHUASULCFRR-TUMOPERGSA-N 545.632 5.132 50 1 KKGF Cc1cccc([C@]2(CCCCCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)c1 963927525 AWXKWTIPIVUTPE-MUUNZHRXSA-N 524.496 6.790 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@@H](O[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O)c1cc(O)c([C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 1857644566 SOQDHIOFRVNKJC-BBKSSRHYSA-N 795.451 8.775 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@@]3(CNc3ccccc3)CC[C@@H]2[C@]1(C)CO[Si](C)(C)C(C)(C)C 1857645326 JUIBXXZJTKIZLH-VXHFMZPISA-N 597.869 6.896 50 1 KKGF Cc1ccc(S(=O)(=O)Oc2cccc(/C=C(\C#N)C(=O)Nc3nnc(-c4ccccc4Cl)s3)c2)cc1 1911575776 BIBBLKGZZPXWTA-QGOAFFKASA-N 537.022 5.480 50 1 KKGF CNC1(c2cc(O)cc([C@H](Cc3ccc(O)c4c3CSSC[C@](C)(O)CNCO4)C(=O)C[C@@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCCC1 2356299811 HJPVVQBYYCEBCV-FPEXVTNDSA-N 960.272 9.583 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C3CCCCC3)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N[C@H](C)O 2356355543 GDWMPZLNNABWEH-KJXDSQLNSA-N 993.479 8.169 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356358847 YNSRVGHCCFJBII-LITYZCBUSA-N 934.279 5.353 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356492022 VBPKTZGJWVBPSM-FWAHCUGOSA-N 523.851 5.704 50 1 KKGF CC1=CC[C@H](Br)[C@]2(C)CC[C@H](Br)[C@](C)(O)CC[C@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12 2356531432 YWILZCJCOZQWNP-YOTWSEIZSA-N 665.301 7.458 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@@H](C)O)SS[C@H]7C=Cc8c(ccnc8N7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356536877 SVVCLGAAKCQWQY-UQQJTGSDSA-N 727.993 7.988 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@@]21O 2356642736 SDTYTGWVHDTFPD-CMOBKPPJSA-N 857.280 9.821 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@H]2CSSC[C@@]3(NC(=N)NCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356662163 FAVWPUDGBCKLJQ-SDTCUECCSA-N 797.009 5.782 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C(=O)Cc2cccc4c2CC(=O)N[C@@H]4N)CC[C@]3(C)O)CO[C@H]2C#CCC(=CC[C@H]1NCC)CCSSC2 2356671956 QKKJNHHSYPGFDU-BGSIEYBKSA-N 830.170 6.346 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC[C@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356686283 ZEKFLLPOZYIVOM-ROWZVZMSSA-N 597.799 7.871 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccccc1Nc1ccccc1C(=O)N/N=C/c1ccc(Cl)cc1 1860629 SOUMGTVQSYVYIM-LTTYKRRRSA-N 530.415 6.265 50 1 KKGF C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C 85544663 CNPTXJXEBUDWNW-MRACTBPOSA-N 599.897 6.509 50 1 KKGF biogenic,in-vitro Cc1cc(C)nc(NS(=O)(=O)c2ccc(NNC(=O)c3cccc4c(NNc5ccc(S(=O)(=O)Nc6nc(C)cc(C)n6)cc5)c5ccccc5nc34)cc2)n1 95550442 WEWOJNVNZYVRNU-UHFFFAOYSA-N 789.904 5.999 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348715 MVXNDHSRIFXHJF-DMSCILCCSA-N 875.215 7.724 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#Cc3ccc(-c4ccc(C#CCO[C@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@]86OO7)cc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309803 CUBVVDUVPFUEAL-SUZWQYNJSA-N 794.982 8.506 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC3(C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)COC4(CCN(C(=O)c5ccccc5)CC4)O3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169365809 IAILTZQUAAFWPD-OPFYFSGSSA-N 808.022 7.686 50 1 KKGF CCCCCC[C@@H](Cl)C[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621817 OWZXJAFOLNMCCO-NCYKPQTJSA-N 674.961 7.861 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)c2ccncc2)C1 169851916 OJZNTJDEURTIGT-NDFRJTBYSA-N 511.867 8.338 50 1 KKGF Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CNC(=O)C[C@]3(C)C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(O)nc1=O 261185791 XKPREZASYVOYQM-ITKMDKGQSA-N 835.204 6.786 50 1 KKGF CC(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NNC(=O)Cn1c(=O)c(Cc2ccccc2)nc2ccccc21 299857037 DPEMEDBZIPYRRM-YTTGMZPUSA-N 643.744 5.088 50 1 KKGF CSCC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586939238 ZMDRRQGXLIPHQN-MRXNPFEDSA-N 515.595 6.610 50 1 KKGF O=S(=O)(c1cc(Br)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1F)N1CCOCC1 587139630 MNZNMVIMBCSQND-UHFFFAOYSA-N 645.239 6.572 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587325889 HKFFKFRIUYPZHH-POURPWNDSA-N 562.380 6.209 50 1 KKGF CCOC(=O)CCOCCCOCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587568871 OKCUUJUNUMODNQ-UHFFFAOYSA-N 525.334 5.902 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 587714218 OTEVHXCQHDQPHY-WLRWDXFRSA-N 503.725 5.204 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccc(F)cc1 587730380 FRINOEZLERQXHL-BUIOKNEJSA-N 508.838 5.972 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)CCl)n2)cc1 587921220 XXTAABIRKUVMNO-OAQYLSRUSA-N 501.435 5.623 50 1 KKGF C[C@@]1(c2ccc(O)c(CCl)c2)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962406464 SDVBWPANQZOKAI-WXGMZPBLSA-N 555.030 6.050 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1C(=O)OCC1c2ccccc2-c2ccccc21 962572735 QIUKPYAOSIPRNL-PJTQZDKOSA-N 620.105 6.431 50 1 KKGF FC(F)(F)c1ccc([C@]2(CCCCCCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962962477 VUHMKHNAVAQPLD-DEOSSOPVSA-N 519.957 7.418 50 1 KKGF Cc1sc2c(c1C)CCN[C@@]21C=C2[C@@](C)(CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)[C@]2(C)CC[C@@]3(C(=O)O)CCC(C)(C)C[C@H]3[C@@H]12 963019673 IADZKSJISUQAPI-REICSHSASA-N 628.923 8.441 50 1 KKGF CC1(C)CCC[C@@H](Cl)[C@@]12c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963087458 AGBAZBKPBYAAOP-YDZJUXTKSA-N 550.142 8.003 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccccc1)[C@]1(CCC2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963098433 PYMXKSVXNIUEKV-XYUFCGFGSA-N 655.798 8.131 50 1 KKGF N#C[C@@H](c1nnc2n1CCCCC2)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963103121 YOYDPYQUEBEUCA-PMJNZQNSSA-N 642.203 7.049 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@]1(C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963474524 VRHZVWODKYHMKR-LQPMPXIYSA-N 701.955 6.189 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCCCl)(c1ccc(OC(F)(F)F)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963807124 IXFNHFCKJLZHLS-YTTGMZPUSA-N 629.075 7.394 50 1 KKGF O=C(N/N=C/c1c(-c2cc3ccc(Br)cc3oc2=O)[nH]c2ccccc12)c1cccc(Br)c1 1772592661 QWRYPTACBVYMJV-XODNFHPESA-N 565.221 6.230 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](CI)C4=C(CC[C@H](O)C4)[C@H]3CC[C@]12C 1857535998 QJHZPCLORSPENH-COZBCKPXSA-N 512.560 7.804 50 1 KKGF COCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857560794 BQRMSQJXAYZAON-KSPURTDZSA-N 593.500 5.067 50 1 KKGF O=C(N/N=C/c1ccc(Oc2nc(Oc3ccc(/C=N/NC(=O)c4ccncc4)cc3)nc(Oc3ccc(/C=N/NC(=O)c4ccncc4)cc3)n2)cc1)c1ccncc1 1857586745 XPSWOVUDIDPYKG-IBLHGWQZSA-N 798.780 5.725 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)c1O 2356355971 XGWSZTGXCWXFHU-NSYRGHTPSA-N 742.953 7.228 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C=O)[C@H](CCCO)C[C@]3(C)O)COCC#CCC(C)=CCC1 2356371528 LDQNLPZZUAQZKQ-BBLLYCLMSA-N 580.806 5.380 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C[C@H](NC(=N)N)CSSC4)O[C@H]21 2356444948 PEERDASTVYCOSA-OPLZJJHGSA-N 706.887 5.721 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356543251 MVYQDRXIUYDZFI-YIFBFYJGSA-N 894.294 8.805 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356604070 RGUMEEDKDBZLDJ-QYJDBDNCSA-N 885.240 6.867 50 1 KKGF CC(C=O)=C[C@@H]1OC(C)(C)O[C@H](C[C@H](CCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@]1(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 2356700803 ZGPNFPJEJZDCQU-IUVMEITHSA-N 879.258 8.169 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356776914 KGCLYVWUGJQKCO-ILOPYHIUSA-N 755.060 7.097 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356858197 SXDSRTWPELZSGX-WRTFWJFVSA-N 941.318 8.170 50 1 KKGF COc1ccc2c(c1)c(C(=O)Nc1ccccc1)c(SSc1c(C(=O)Nc3ccccc3)c3cc(OC)ccc3n1C)n2C 14944325 ACEXKVMSZJJLTI-UHFFFAOYSA-N 622.772 7.991 50 1 KKGF Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2s1 26475051 MVVSYJGXECFSDD-GOSISDBHSA-N 557.027 7.643 50 1 KKGF O=C(Cc1csc2nc(-c3ccc(Br)cc3)cn12)N/N=C/c1ccc(Cl)cc1Cl 28708101 OZXYGHZNGFJKNT-PGGKNCGUSA-N 508.228 5.825 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 43260642 HYVIYZLGCOJNSV-COEVOGDMSA-N 531.556 5.613 50 1 KKGF N=C(N)c1ccc([C@H](NC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@@H]32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 163031463 HFTCHVWOKABTBT-QBJMMZQLSA-N 842.019 5.556 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H](c1ccco1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195181688 QHPKUAWSKSIHPM-FIBWVYCGSA-N 561.880 10.464 50 1 KKGF COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@]2(Cl)[C@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 195517835 DZSXSEOBPROUOW-MYSJAJEPSA-N 636.098 5.941 50 1 KKGF Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CNC(=O)C[C@]3(C)C[C@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O 198122124 XKPREZASYVOYQM-BWEJEJFHSA-N 835.204 6.374 50 1 KKGF CCCCCCCCC[C@@](C)(OC[Si](C)(C)C)[C@H](CC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 238731408 SOTYPNYMOXVXKT-AKUVXLQWSA-N 868.700 11.797 50 1 KKGF C/C(=C\C[C@@H](O)[C@]1(C)CC[C@@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1 238743597 JJTXYVOUNQSSNW-JMCJOWSESA-N 587.636 5.989 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@]14[C@H](C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 238754906 ORNMPVMTDJIPQS-MYZURPEXSA-N 546.660 5.707 50 1 KKGF CC1(C)C(=O)[C@H](Br)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H]([C@](C)(Br)CBr)CC[C@]3(C(=O)O)CC[C@]21C 299805957 IPLNOHYKFZGNFG-MRMSUQJKSA-N 693.399 8.644 50 1 KKGF CC[C@@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 299838682 QTQLGNQQJRBIBI-XGCWNURASA-N 524.617 6.433 50 1 KKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587323590 RWSFGFDBTPQWCO-GMAHTHKFSA-N 502.292 5.097 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(Cl)cc1 587326635 MDZBIDMRGKXDKN-PQHLKRTFSA-N 538.446 7.339 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)O2 587414851 OZNRGGNFZRCQFI-PMERELPUSA-N 537.125 6.901 50 1 KKGF CCCc1c(O)ccc2c1O[C@](COC(=O)CC)([C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C)CC2=O 587470133 DPJIZZYMYXHGPE-RTHNOPTJSA-N 701.228 6.140 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 587673114 KLAZYLFAYMAUCC-PUAOIOHZSA-N 562.277 6.510 50 1 KKGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F 587716424 ZYWRZOZQBDTJFH-XTZNXHDOSA-N 511.151 5.788 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCCCCCl)(c1ccc(Cl)c(Cl)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962625361 HNMXCSKNMZMZQX-CUBQBAPOSA-N 568.925 7.485 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962628291 LUGQYLAQTXHQJU-DCABOPQKSA-N 555.269 7.173 50 1 KKGF COC1=COC(CCl)=C[C@]12c1cc(OC)c(OC)cc1CCN2C(=O)c1ccc(C(F)(F)F)cc1 962674089 MRODHCYMMCJACB-DEOSSOPVSA-N 509.908 5.257 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045270 YMIWGINWPSJBON-CDTKPYNKSA-N 656.003 7.473 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCCl)(c2cccc(OC(F)(F)F)c2)N1 963192121 YHTWELLLJWPJCX-UNMCSNQZSA-N 558.346 7.289 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2ccc(N3CCOCC3)cc2)(C(Br)Br)N1 963197146 MTQBUABXSAXWAZ-HRAATJIYSA-N 612.668 5.154 50 1 KKGF CCS(=O)(=O)N1CCc2cc([C@]3(CCl)c4ccoc4C[C@@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)ccc21 963199049 OSDZVVINOAERFJ-BFGHFXMOSA-N 647.149 5.735 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CBr)(c2ccccc2[N+](=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 963237337 OECIZAQVCVPNSG-XYFQYJLHSA-N 719.457 6.016 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(c2cnc(N3CCCCC3)s2)N1C(C)=O 963318337 UCXGOOCEIZCULQ-ABCZBHHISA-N 798.340 5.419 50 1 KKGF Cc1ccccc1[C@@]1(CCCCCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963448320 NWNOPZQOTFQKDU-YZNIXAGQSA-N 501.026 6.281 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)OCC#CCOC(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857752072 LBWWAXCXBKRJKR-QUUKLHCASA-N 818.910 5.139 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356352469 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2356866496 VNRNFOCGCYBIDR-ADEWMFNDSA-N 884.174 7.626 50 1 KKGF CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](C[C@@H](I)[C@@H]3O)[C@@H]21 29397060 RVINDJSSZOSLHM-FTAPQOLWSA-N 651.714 8.408 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccs2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 42765278 VHUICZOJPGXDGF-XOMIGCEESA-N 579.542 5.909 50 1 KKGF C[C@@H](NC(=O)Cc1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49780020 WOEHRBWYHDNVSH-WRJZCPMKSA-N 718.188 7.353 50 1 KKGF O=C(CCNCCSSCCNCCC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 66252368 XIFYSMNBLWZBPR-UHFFFAOYSA-N 516.732 6.399 50 1 KKGF CCCCCCCOc1c(C(=O)N/N=C/[C@H]2C[C@@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCCCCCC 95536684 NIPQZZZUZUCLPI-YGBNCWGTSA-N 789.193 11.337 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@H](O)O4)CCC[C@H](C3(c4cccc(O)c4)CCCCC3)C1)CC[C@@H](O)CC(=O)CC2 150348342 DLARFNLOWDBBLS-RUDPNROKSA-N 1005.360 8.242 50 1 KKGF biogenic,in-vitro NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@H](O)C4CCCC4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C1 150349170 DXTURFCWLPBQIC-ARIZYBGFSA-N 901.228 9.913 50 1 KKGF biogenic,in-vitro C/C(=C(\CCOP(=O)(O)O)SSCc1ccccc1)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOP(=O)(O)O)SSCc1ccccc1 150534446 OTVOYROBKVAPPV-ZHTVLWRQSA-N 893.102 10.429 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2c1OCCO2 150576762 DZEMXIFNKZKKTR-MJWVAZLDSA-N 937.630 8.207 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586889 MOJBOJSSQKFLBQ-UZNNEEJFSA-N 775.874 9.393 50 1 KKGF O=C(Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccnn2-c2ccccc2)cc1 150628091 QYZCXJVTDGJYDF-UHFFFAOYSA-N 899.074 8.964 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(C(=O)O)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169366175 ZICISAPTXRLDEV-JINPPLABSA-N 790.969 6.171 50 1 KKGF CCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 253795349 ZYVYKCLKFGRXRO-BNIOXDGQSA-N 604.737 5.714 50 1 KKGF CC(=O)c1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 586880594 ORLPKXRUGMKALZ-UHFFFAOYSA-N 517.317 8.519 50 1 KKGF O=C1c2ccc(O)cc2OC(C(Br)Br)(C(Br)Br)[C@@H]1c1ccc(F)cc1 587319465 BVEZMQXYDLDMIO-CYBMUJFWSA-N 601.886 5.861 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)[C@@H]1c1ccc(F)cc1 587335433 QXODESBXJZKHIQ-VGSWGCGISA-N 593.045 7.348 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(CBr)cc1 587537245 CAJSFTPAWZIGOR-DENIHFKCSA-N 504.174 5.539 50 1 KKGF CCCCCCCC[C@@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772618510 IWIZOMWAHIZTOM-AAXFXJCOSA-N 675.819 9.352 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCC(NC(=O)OC(C)(C)C)CC3)cc2)n1 1857579938 CKQJSHXHIDILAZ-VOTSOKGWSA-N 554.695 6.655 50 1 KKGF COc1cc2nc(SCC(=O)Nc3cccc(S(N)(=O)=O)c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857601435 VBHRIKXBYWSMBE-SNAWJCMRSA-N 645.550 5.034 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@@H]3SSC[C@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC 2356357999 WIIXGSGMSBRKDZ-KTEBTVBHSA-N 976.271 8.598 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)CC1 2356370012 LAPDGCGEEVPYAY-YIWNKINFSA-N 829.101 8.112 50 1 KKGF C[C@@H]1N[C@H](CCCCCCCCCCCC=C(C=O)CCCCCCCCCC[C@@H]2CC[C@H](O)[C@@H](C)N2)CC[C@H]1O 2356478204 VQQFMYFBGVBDNZ-VQBLNHCYSA-N 576.951 8.307 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@H](O)C5 2356727706 PGBGECXYHSPSPK-CEZLSQGWSA-N 878.251 8.169 50 1 KKGF CNCc1ccc(CO)c([C@@H]2C=C[C@@H]3C[C@H]4CSSC[C@H](CCO)[C@@H]5[C@H](CO)C[C@H]6CC7=C4C(=O)C[C@]75[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@H]24)c1 2356780047 JRGLPKVAFBBFGN-DGQHPGCISA-N 785.180 5.746 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356808809 AKIWOIGNNPHLBZ-CIQJSQKASA-N 810.095 8.309 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356814441 SDXUJXWYQCXLQF-KWLQSANCSA-N 773.010 6.513 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@@H]1[C@H]2CC[C@@]4(C5=CC[C@H](C)CSSCNC6=CC(=CCN6)CC2=C4C(=O)O5)[C@H]31 2356841264 NGKIDWYCCUOEDD-UJRHWECTSA-N 604.838 6.817 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356850807 QAPGVGCCRNWUHP-CAEKGIKCSA-N 839.093 6.353 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@H](O)C[C@@H]([C@H](CO)Cc4ccccc4)C#C[C@@H]3C=C12 2356856345 RZXFDRXWIPWZPC-CKRROYQSSA-N 926.255 5.747 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(CC)cc1)C(=O)Nc1ccc(C)cc1-2 101408192 GEDRXCHKRWDGSX-YMRWSMOXSA-N 535.308 7.432 50 1 KKGF C/C(=C\C[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 238766311 JJTXYVOUNQSSNW-URNFXHFVSA-N 587.636 5.989 50 1 KKGF O=[N+]([O-])c1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1 473159165 WVEOSRKEXVCBTQ-UHFFFAOYSA-N 608.752 7.920 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br 587322043 LFZJVCVICJLGCO-RCCIUAMOSA-N 538.251 6.224 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)[C@@H](C2)C3=O 587427902 LIVVAOYCDMMWAJ-DFBJGRDBSA-N 559.787 5.413 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)cc(C(F)(F)F)cc1Cl 587542674 AVSRVXFQCKQYGC-GHTZIAJQSA-N 548.138 6.970 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 587673111 KLAZYLFAYMAUCC-CPJLOUKISA-N 562.277 6.510 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N1 587683349 GOYRABUILYMPBR-IKKGAQDJSA-N 545.880 6.094 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 587687509 HBJMRCQXHUMEEY-DLUDVSRJSA-N 519.842 5.784 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 587941200 RWDQMRKZLMRYNS-LCUNQHKMSA-N 813.386 5.216 50 1 KKGF CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C/C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O 587941927 ZCDJASNBFPQDCD-TZUJHNHESA-N 768.348 7.827 50 1 KKGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)O[C@H]2CCC[C@]4(C2)OCC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 621476364 HPLFYRRXWYSKLS-BOOYAOHNSA-N 697.272 8.660 50 1 KKGF COc1cccc2cc3c(nc12)[C@@H](c1ccccc1P(c1ccc(C)cc1)c1ccc(C)cc1)NCC3 963049064 ALVVJTHSCUZHMT-MGBGTMOVSA-N 502.598 5.854 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(c1ccc([N+](=O)[O-])cc1)[C@@H](Cl)C(=O)Nc1ccccc1 963205140 NHLBFSHPIFQMNF-HZFRXHCASA-N 537.019 6.207 50 1 KKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 963288417 ANACQKBWYTUETQ-MHZLTWQESA-N 519.280 7.473 50 1 KKGF COc1ccc([C@@H]2CC(c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)=NN2C(C)=O)c(OC)c1 1857654663 YSLQUOZMZPGNIT-ABEAQNHSSA-N 606.716 5.988 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356356436 BGRQVEMXMUXFCH-XYRKYPHESA-N 983.303 9.468 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356451597 LDBVZEVQQMRLJX-LFNHGODJSA-N 990.298 8.510 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@H](OC)c2nc(C(C)=O)cs2)[C@@H]1C 2356508620 KVAGQEMNZHLCBY-BKBNVYOJSA-N 674.342 7.163 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356709306 YADGZZKEMOAYDU-ZFNWMXCGSA-N 843.159 5.841 50 1 KKGF CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)NC(=NC)NCSSC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@@H](CCCCC)C32CCCC2)C1 2356777702 BTAPTQCIYNXGJT-KUSRUFRXSA-N 937.367 11.052 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)CCC(C)C)c(=O)oc3cc1O2 2356810690 BAONDWVZEZWXJH-LJQRDTFJSA-N 955.253 6.205 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356827286 HPCJTLWCZGIYFX-ILYCUOSOSA-N 883.190 7.605 50 1 KKGF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)CC(C)([C@H](C)I)C2 49802238 JAHZIXROXGDIMP-ZDUSSCGKSA-N 542.410 5.334 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(NCCCCNC(=O)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c2c1 49899422 WVYZMAGTDCQDLV-RDDKVSGWSA-N 638.205 6.999 50 1 KKGF C[C@H]1CC=C[C@](C)([C@H]2C[C@H]3CSSC[C@@H]([C@H]4C=c5ccccc5=CC4)CCc4ccccc4Cc4cc(O)cc(c4)C[C@H](C3)C2)C1 85543520 ZJXCALIRMZXQTI-XPFGNUJJSA-N 649.022 9.775 50 1 KKGF biogenic,in-vitro COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 85595561 HRDNAMNKTPWRTQ-CYKTZSPMSA-N 844.146 6.529 50 1 KKGF biogenic,in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@]3(C)C/C(=N/NC(=S)NC4CCCC4)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C 96900444 NATOEGKEDTYVJX-YWEZQXABSA-N 576.379 9.478 50 1 KKGF CCc1ccc2ccccc2c1[C@H]1C=C[C@H]([C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 150349747 MJHYIKLTXDZAHS-ZGRQDAQESA-N 969.259 9.413 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc(OC)c1OC 150589870 QCGPPOVPSUTVKQ-QZCRLSDHSA-N 820.955 9.511 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](Cl)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169372150 YNMLUPLDAJOVTM-VHBXZUDISA-N 605.212 5.778 50 1 KKGF C[C@@H]1[C@H](CC(C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169615532 CRSJHIRCVZDTHB-ZFVGUCBTSA-N 832.066 7.556 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055160 KFPJXOWRAUJXKD-UYRXBGFRSA-N 514.416 7.716 50 1 KKGF COc1cncc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587189593 DHKHVQHWGHWTFY-WVZVKJAQSA-N 592.781 5.998 50 1 KKGF COc1ccc(Br)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319543 CALYIVSYMGFCDX-GMAHTHKFSA-N 536.191 5.952 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)O2 587375073 BXRYVLPFBPFZPJ-WHZKSSEWSA-N 512.488 6.187 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(CC(=O)c4ccc(O)c(CCC)c4O3)C[C@@]21C 587464882 CKRWXSVYGWSIGR-NCKVOZTESA-N 655.203 7.195 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537426 FJFDUYSOKPMZCD-IFVHXUSFSA-N 531.402 6.612 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544665 OSBKEJSVXLPMLY-PZFKOMAXSA-N 529.932 5.224 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(CBr)cc2)N1 587674131 TUEWYUFIDOPYNQ-VOJFVSQTSA-N 506.051 5.656 50 1 KKGF CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587682833 DSXFEDGVCCJDAF-LSJFYSJGSA-N 681.039 6.679 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc12 587690047 YYWSEFJZEKWBSK-UPINHGDLSA-N 527.821 5.525 50 1 KKGF COc1cc(/C=N/NC(=O)OCc2ccccc2)cc(Oc2cc(/C=N/NC(=O)OCc3ccccc3)cc(OC)c2O)c1O 653900917 DLFUVLANBCMIRW-WMFSDKRHSA-N 614.611 5.428 50 1 KKGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(Br)c(F)c2CBr)N1 962695995 FEERZEBPTNDMNO-HOCLYGCPSA-N 529.097 5.329 50 1 KKGF Cc1cc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(C)cc1Br 963024423 RBFSQHPCYJNXSQ-CUBQBAPOSA-N 586.313 6.835 50 1 KKGF COc1ccc(C)cc1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963034088 YGSONWZWGFEKGM-NEKDWFFYSA-N 567.867 5.929 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2OC(CO)=C[C@]32c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 963083565 CVLVJEDDFBAJDW-KJIWAIOASA-N 715.806 6.820 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)[C@H]1CC=C[C@]21c2ccc(F)cc2C[C@@H]2CCCN21 963103736 OASUUHPODZHSQG-APBKZOGWSA-N 643.876 7.444 50 1 KKGF C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5C(=O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 1857768532 INWYRENLHDWCGG-CPNWZTESSA-N 646.608 5.261 50 1 KKGF N=c1[nH]ccc2c1CSSC[C@H](CO)[C@H](O)[C@H](Oc1cc3c(cc1O)CCC1=C[C@@H]4C#C[C@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C[C@H]13)C[C@@H]2Cc1ccc[nH]1 2356291085 JVWBMVMUHWKKSG-PAMCMWJTSA-N 790.061 5.446 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SS[C@H]7C=Cc8c(ccnc8N7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356300220 MDSAGAGARKKCKK-WNBCJADBSA-N 670.897 8.010 50 1 KKGF CC1(CC[C@@]23C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]4CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc54)CSSC[C@@H](CC2)C3)CCCC1 2356307577 CZVQQCKXUHOLSC-BJWBWZPBSA-N 858.183 10.376 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](Cc5ccccc5)c5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356349575 IEYJSBNYTVVFAT-HYABDGBYSA-N 778.188 8.255 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1Cc2cccc(c2)C[C@](C)(CCOC)NCC2=C[C@H]1CCC2 2356357102 GMUFOTUUBLCECS-MLWKCEDXSA-N 759.085 6.340 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356374362 UOBZPJNIAIHBCP-CXVUGCHSSA-N 639.968 7.775 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@H](C)N[C@@H](O)C2=C[C@H]1CCC2 2356721334 AYRRJTYHHGZBLF-JSHXNIDTSA-N 741.026 5.273 50 1 KKGF CC1(C)[C@H](CC[C@]2(C)O[C@@](C)([C@H](O)CCl)CC[C@@H]2Br)[C@H](O)CC[C@H]1Br 2356725303 CXSYXYOPYBYQCA-VRIDECTMSA-N 504.731 5.018 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@@H](O)CCC(C)C)c(=O)oc3cc1O2 2356810688 BAONDWVZEZWXJH-BCLDXISZSA-N 955.253 6.205 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@@H]1C)N43 2356812315 BTJSBAQZMGAJQV-FIAGBOGBSA-N 710.059 9.300 50 1 KKGF COc1ccc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2c(C)cccc12 44358294 MUXDTSNURGUAQQ-UHFFFAOYSA-N 589.523 8.344 50 1 KKGF CC(C)N(NC(=O)c1cc(F)cc(C(F)(F)F)c1)C(=O)N[C@H](C)c1ncc(C(=O)N2[C@@H](C)CC[C@H]2C)cc1F 49767461 ZYJSNZWPWHEHFL-OWCLPIDISA-N 555.548 5.218 50 1 KKGF BrCCCCCOc1ccc(-c2c3ccccc3c(-c3ccc(OCCCCCBr)cc3)c3ccccc23)cc1 82170572 IQKXIXAHZYRQIC-UHFFFAOYSA-N 660.490 11.215 50 1 KKGF CC[C@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@@H]2C[C@H](CSSC1)C[C@H]([C@@]1(C)C=CC[C@H](C)C1)C2 85543527 WFDNBKYCWFAFGP-KUGKCWONSA-N 548.902 9.904 50 1 KKGF biogenic,in-vitro COc1ccc(OOc2ccc(OC)c3cc4c(cc23)[C@@]2(C)CCC(=O)c3coc(c32)C4=O)c2cc3c(cc12)[C@@]1(C)CCC(=O)c2coc(c21)C3=O 85965357 KHLKCFBACLAIBI-NCRNUEESSA-N 694.692 8.223 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3cnc4ccccc4c3)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 95603289 SDZTYLZDEULSPD-PHIYZGLKSA-N 697.877 6.423 50 1 KKGF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)CC2)cc1 586955505 PXCLKFDNKWWPAT-UHFFFAOYSA-N 588.462 7.675 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587320906 HNUNBLVOWNMFOK-XCZPVHLTSA-N 519.366 6.973 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 587333478 KNSPRGUYGAQOPV-ZSHLJQPHSA-N 522.979 6.284 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 587678916 KZNVPXJLULCNCR-WVDJIFEKSA-N 515.604 5.343 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 587688681 NBFYVVBVNBZXIQ-JCQPUDPBSA-N 506.803 5.921 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 587737501 FPMNUFGFXVKYGK-DEIDBIQASA-N 670.445 7.627 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 587740344 JMSWCHLTJFZDCV-ZOKDDAQRSA-N 557.467 6.517 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1ccc(F)cc1C(F)(F)F 961774487 GXJIKVGRJHLNEX-XMMPIXPASA-N 543.399 6.634 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc(CCNC(C)=O)cc1)([C@@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672973 FLLRVZVJWAXGSU-HZAQMHFWSA-N 589.054 5.971 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](c2ccccc2)(c2ccc(B(O)O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963083425 WRUASWWOSCCNNK-BUZXVGNNSA-N 781.563 6.615 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963087795 BPMJJOGZVINDID-XNLCPIGASA-N 658.091 8.377 50 1 KKGF N#C[C@@H](c1nnc2n1CCCCC2)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963103117 YOYDPYQUEBEUCA-IKTYWIPASA-N 642.203 7.049 50 1 KKGF Fc1ccc([C@@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Br 963832073 KOQAOOYYNLVQFW-RUZDIDTESA-N 544.262 6.433 50 1 KKGF N[P@@](=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl 1772583792 KKNXUMNCAJWDKL-PGUFJCEWSA-N 605.257 5.685 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccc(/C=N/NC(=O)c5ccc(F)cc5)cc4Sc4ccc(C(F)(F)F)cc43)nn2)cc1 1857552092 CKJGXTXKJOANIB-AIMOZCANSA-N 627.627 6.923 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4cccnc4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4cccnc4)cc23)cc1 1857641029 BBNMJHWVPABWOI-PFUSVQNESA-N 630.712 6.456 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)Nc3ccccc3NC(=O)[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857766595 AFYMKANFXXHYSM-UTDFQMDNSA-N 668.784 5.573 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)CC2CCCCC2)[C@@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356308571 DSSHVYMOFNQHCC-TXTSNRKZSA-N 668.022 8.595 50 1 KKGF CCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1 2356334668 LJLORIMRLLORHA-WMYKPJGBSA-N 647.765 8.571 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@@H](O)C1 2356354259 XFTCXYAYOKSOOZ-ATFKRSAJSA-N 941.358 10.702 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOC)C3)c2)N1 2356355575 GSZWBAPHWVGDJI-PZJCKJKHSA-N 751.028 6.871 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@@](C4)([C@@]21O)[C@@]36C 2356360782 NYDLYIMZZWFMTA-ZOZSRIFXSA-N 595.871 6.238 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356362776 DVRJWEBPVJJDRP-PZKQTSINSA-N 741.026 5.417 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356365145 GDMACCFXIAJTKG-AOJDPMDCSA-N 653.999 6.548 50 1 KKGF CNCc1cccc([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@H]24)c1 2356445937 UAGDOPPOQNCNBA-BFDYMDARSA-N 666.998 5.630 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSCC2(CCCC[C@H](O)C1)CCCC2 2356487890 PUSINBLSNZZADU-IPHVTSQHSA-N 993.434 11.965 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@H](CCCO)[C@@H](O)CC5CCCCC5)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356565504 YRSOWXYYXHAEKR-GVBYMILNSA-N 764.019 8.373 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C=O)C4CCCCC4)CC[C@]3(C)O)[C@@H]2O)COCC#CCC(C)=CCC1 2356667221 UGSPJQXPMNTZJI-ZKDLZATQSA-N 590.845 6.942 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)C 2356686699 PHUVQXFPKGYDKS-PAISCNLLSA-N 557.816 5.604 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1 2356687547 SNZCABRUTZVTFC-LWBHJCGFSA-N 689.846 9.742 50 1 KKGF COc1cccc2c1cc(-n1oo1)c1c(C(=O)O[C@H]3CC=C(C=O)CCC=C(C)CCC=C3C)cc3c(c12)OCO3 2356703133 NKJVKKZDOQAQNM-SANMLTNESA-N 557.599 7.214 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356711741 UHVZLINJVKMBMK-KEVCJMHSSA-N 907.246 7.438 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(CCC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356735647 ATLHDMJMMBWTEW-KEWLUYAWSA-N 912.265 8.232 50 1 KKGF C=CC(=C)[C@H](C[C@]1(C)[C@H](C)C[C@H](O)[C@]23C(=C[C@H](OC(=O)C=CC=CCCCCC)C[C@@H]21)[C@H](OC(C)=O)O[C@H]3OC(C)=O)OO 2356765006 HXZWRWDSAJYAQI-NEPWMUOSSA-N 616.748 5.730 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCC3CCC(CC3)[C@@H](CC1)[C@H](O)C2 2356779895 YRIQEKMXMKGEQG-WCTNMECISA-N 993.434 11.655 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(CO)=C2OC)[C@H]5CO)c1 2356843757 NPCTYBWFEWOHRC-BTHXVDOZSA-N 818.155 8.301 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc(NC(=O)CCCC[C@@H]3CCSS3)cc1)O2 27433230 CPURDDMQPRRMEV-DFHRPNOPSA-N 528.740 6.692 50 1 KKGF N#CCCO[P@](=O)(OCCCCCCCCCCCBr)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F 49841492 IEJSYXQOUMLNKP-WBCKFURZSA-N 672.512 6.721 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 58538357 YLVAANTZZJURGV-LPLMGWKJSA-N 576.771 7.043 50 1 KKGF Cc1ccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2ccc(C)c(Cl)c2)OCCN2C(=O)c3ccccc3C2=O)cc1Cl 95615707 DYINTNKUSUKZAS-MBIPSJRMSA-N 747.682 8.292 50 1 KKGF [C-]#[N+]C1(c2ccccc2)CCN(Cc2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CC1 96174096 ZHSVNUAQCSGKSK-UHFFFAOYSA-N 509.617 6.464 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SS[C@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344164 FAIFNMNQCZOVFT-FNQVGFDMSA-N 779.981 7.476 50 1 KKGF biogenic,in-vitro Cc1cccc(Nc2cc(C)nc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)c1 169352626 QVCPXNNSWQIQBN-UHFFFAOYSA-N 522.480 7.523 50 1 KKGF COc1ccc(C(=C(COC(C)=O)COC(C)=O)c2cc(OC)c(OC)c(OC)c2)cc1O[Si](C)(C)C(C)(C)C 195374281 PLRBEFZIYVTJMK-UHFFFAOYSA-N 574.743 6.033 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CF 253862531 FEJQUBQBRRMWJR-CCVUQYLESA-N 523.428 5.846 50 1 KKGF COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc(OC)c1OC 299831316 JBSDYVHXYVYFRQ-AREMUKBSSA-N 556.615 5.598 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4cn(Cc5ccc(Cl)cc5Cl)c5ccccc45)sc3c2)CC1 299863719 PRHICOIAPXWWPW-AABVJFSESA-N 605.595 7.994 50 1 KKGF CN(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587194630 WOISHCBIPDNWAI-UHFFFAOYSA-N 602.423 8.406 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)(F)F)cc1 587333619 WPWQSBGTZRYPNG-XCZPVHLTSA-N 559.943 7.331 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(CCc3ccc(OC)c(OC)c3)c1C)CC2=O 587461610 RQPPJPOEQOYJNO-LJAQVGFWSA-N 512.046 6.122 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539311 VGYZKCMPMAAAPA-PSMUNZOPSA-N 504.174 5.795 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)N1 587669861 GMRGSYYSEZJZCE-GXBQOLRHSA-N 582.149 7.266 50 1 KKGF COc1ccc([C@@]2(CBr)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cn1 962406312 RNGXHSQNNPYKFI-JOMNFKBKSA-N 600.469 5.384 50 1 KKGF COc1ccc2c(c1)CC[C@@H](Br)[C@@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962411274 ZUUZKYXZSDQVDL-PSUXHBTPSA-N 625.519 6.304 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962571707 OBQPQGXDRNKILS-VRLMBGIESA-N 678.572 7.465 50 1 KKGF Cc1ccc(S(=O)(=O)C[C@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962715293 PMOCDGVZGOANOA-DYKQPOOOSA-N 708.227 6.020 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(F)cc2F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963082799 BVAGFZJVNASALI-QWOOXDRHSA-N 580.074 7.751 50 1 KKGF CCC(CC)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)NC)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938314 LVVFIECJXATOHS-CKESKMBCSA-N 608.270 5.694 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](c2ccc(C)cc2)([C@H](Br)C(=O)c2ccc(C)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948927 ZOMPPMQPAGLAPW-IQDBPJMCSA-N 790.846 7.330 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857573557 ZBQXWQQEXMYWBL-DFRJEGKFSA-N 627.466 5.311 50 1 KKGF O=C(NNC(=S)Nc1ccc(Br)cc1)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857602755 SFPZLYYGRQAWHP-UHFFFAOYSA-N 528.819 5.451 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccoc1 1857754022 UGYIVNBCXNDXHV-HRCFTYQPSA-N 631.770 7.149 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 2356349731 MWUBNNGZDVAADV-USFNTLJASA-N 650.815 7.224 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC1)CC[C@@H](O)CC(=O)CC2 2356353247 KLZHYVAKSSLKLX-NFMASPFISA-N 817.087 5.228 50 1 KKGF C=C1C=CC=C([C@@H]2[C@H]3CCC[C@]4(O)CCC(=C(C)C=O)[C@H](CCCO)[C@@]4(C3)[C@@H]2O)COCC#CCC(C)=CCC1 2356371690 ODENFNHLXBCPNW-LYVPCDRBSA-N 548.764 5.772 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4[C@H](CNC)[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 2356372442 FJFLLHSGIKYSBZ-JIUZSXDUSA-N 688.013 5.055 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356379397 SEZXGHKDTFKCAQ-UISSDRPLSA-N 898.290 6.135 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)CC[C@@H]4CCC[C@@H]4[C@@H]5CNC[C@H](C)O)c3)cc1CO)C[C@H]2N 2356654712 HPMNOSZERCAAMO-QAEUMHOWSA-N 923.344 7.726 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)[C@H]2NC[C@@H](c3cccc(c3)C1)[C@@H](C)N2 2356774083 QICZKHKPZDWUKQ-HLWPYEKXSA-N 726.015 5.035 50 1 KKGF CN=C1NCC[C@@H]2SS[C@@H]3CC[C@@H]4[C@H](OC(C)=O)C[C@H](c5cc(O)c(O)c(OCCc6cccnc6)c5)O[C@H]4[C@@H]3Cc3ccc(O)c(c3)O[C@H]3CCC[C@@]2(C3)N1 2356775218 JRZGYMBGUXJSFT-NMKWXPQRSA-N 805.032 6.612 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@@H](O)SS[C@H]7C=CC8=C(NCC=C8CC4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356841350 NHNCZNJQLKXWRZ-DBMHLZRBSA-N 672.913 7.224 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@@H]1CO)N43 2356847987 PBJWUKPZQYQMLD-KTUZLLGMSA-N 764.063 7.154 50 1 KKGF CC1(C)[C@@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)N/N=C\C=C\c1ccc([N+](=O)[O-])o1 263590299 JTUXTPWYZXWOIB-QGTLTGTMSA-N 630.445 5.580 50 3 KKGF O=C(CCCC[C@@H]1CCSS1)NCCCCCCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101082851 NFJNQTUUSFYNDA-HSZRJFAPSA-N 567.777 5.817 50 1 KKGF C[C@H]1[C@@H]2CC[C@@H](C)[C@@H]3CC[C@]4(C)OO[C@@]23[C@H](O[C@@H]1CC(C[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]5[C@@H](C)CC[C@H]([C@H]1C)[C@@]25OO3)CS(=O)(=O)c1ccc(COC(=O)N(C)C)cc1)O4 169615561 CRSJHIRCVZDTHB-ZBLXMQINSA-N 832.066 7.556 50 1 KKGF CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1C[C@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 195478430 SWWCJTUVSXJESY-GSBZAIBZSA-N 613.874 5.956 50 1 KKGF COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 238808848 DAZIGOPASNJPCJ-OYQUPYODSA-N 787.990 7.753 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@H](Cl)C[C@]2(C)[C@]1(OC(=O)c1cccs1)C(=O)CO 253633976 PIWPKWRRHRILPF-QFAXRGCWSA-N 537.505 5.338 50 1 KKGF Cc1ccc(-c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cccc(Cl)c3n2)o1 587082741 DSMFEEMSIAYBPZ-UHFFFAOYSA-N 564.761 9.420 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)[C@@H](Br)c1ccccc1)[C@@H](C2)C3=O 587414927 PQUKJXIUVXDQNE-UGZNWAIPSA-N 528.240 6.238 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(-c3ccc(C(=O)CBr)cc3)cc1)CC2=O 587456059 JRRIDWONLNJZMB-MHZLTWQESA-N 572.293 6.845 50 1 KKGF COc1ccc(/C=C(\C#N)[C@@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587731173 HUKLQLJVXYRLEW-HWGPXQEISA-N 517.439 5.997 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845056 MNNJSIXRYFBNDH-PPNCUWOSSA-N 578.076 7.715 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](CBr)([C@H]1Cc3ccccc31)N2C(=O)OC(C)(C)C 962707971 LSVBMBZTVZDZTJ-GCCWUPBUSA-N 530.434 5.407 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963092835 XEOGRASZNRWSJA-LQJZCPKCSA-N 563.814 8.053 50 1 KKGF C[C@H](Br)[C@]1(C2CCC2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963184283 FQAFNVDWGLSLJR-KIMHHRBCSA-N 550.449 6.319 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc(Cl)nc21 963927840 GMUORKCYMDRWHD-GDLZYMKVSA-N 660.038 5.642 50 1 KKGF CCOc1cc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)ccc1O 1772592756 XHZGORBOLVICSY-BKGCSHFDSA-N 594.701 6.290 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@@H](NC(=O)C[C@H]2O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]2C)[C@]64OO5)C[C@H]1C[C@H]3OC(C)=O 1772602545 LKEAXOUPLAXYDC-QDYQBWRLSA-N 814.070 7.443 50 1 KKGF O=C(NCc1ccco1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccco5)cnc34)cccc2c1 1772655309 SJIJNXSPIGAWMR-UHFFFAOYSA-N 566.664 6.628 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)OCCC[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC(=O)CC[C@]21C 1772657550 SFAMSFLHTJLGGF-UHMIZSNWSA-N 799.055 8.288 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4C)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4C)cc23)cc1 1857635248 LVAMQERLNZXTQZ-XQPPAUJBSA-N 656.790 8.282 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1C(C#N)=C(N)N(Nc2ccccc2)C2=C1C(=O)CC(C)(C)C2 1911582143 IADIRZANVGAQOH-SSEXGKCCSA-N 574.660 6.876 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@H]2C=CC[C@@H]3O 2356448452 DOJPNPCPVHCLLA-HGKZDQGESA-N 916.264 5.452 50 1 KKGF COC[C@@H](COC(C)=O)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCC(Cl)Cl 2356455818 JBEYLLUXESVNSE-RTWAWAEBSA-N 500.935 6.281 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356543041 KICFRMDKTWYILV-ITVBMFGKSA-N 851.193 7.608 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOC)C3)c2)N1 2356711595 HOMMFWZRPGECIA-KUBCUOFPSA-N 727.006 6.707 50 1 KKGF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NN(c1ccccc1)c1ccccc1 2356732625 LJDJHYHISCPTMX-POLDFPFKSA-N 504.715 7.289 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](O)C[C@@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356816263 CZMNPIGRZOFCOO-LZYIDHGQSA-N 940.282 6.281 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@]3(C=O)OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356863259 UQIKUJWKBDKKDO-FPHRFTCQSA-N 967.132 5.542 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1C1=CCN=C1 2356875114 ZZLXRKHPVGJNJV-IAVVUNLPSA-N 929.147 5.866 50 1 KKGF COc1ccccc1/N=N/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(N(CCC#N)CCC#N)cc1C 5582813 QLQSGAWTYOFNDE-SJXRGTFUSA-N 507.598 5.821 50 1 KKGF CC(=O)OCC/C1=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(\CCOC(C)=O)SS1 169292839 YIMGKWDGPUQNDH-LMCGJEQXSA-N 570.818 6.569 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(=O)CCCCCCCC[C@H](Br)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C 169302553 DDGNEKXRGYCDNR-DTRKVEDHSA-N 872.544 13.190 50 1 KKGF CCCCCCC[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621815 XCQVIBNYJYFVME-XRXFAXGQSA-N 674.961 7.861 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CN=C4[C@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1c(C(F)(F)F)cccc1C(F)(F)F 169728718 PLXLNNOTMDSATC-HMIGNHOUSA-N 562.982 7.153 50 1 KKGF COc1ccc(C(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccccc2)cc1 195371916 WGDQOLLXOWTCGY-XOOMGGCQSA-N 871.222 8.447 50 1 KKGF C[C@H](CCCCl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@@]21C 238756687 PFDPEDJNJSTNLH-CJEGRPCNSA-N 557.171 5.286 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CC(=O)OCc2cn([Si](C)(C)C)c3ccccc23)O[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 238780091 DIMILTCIDYCFLW-OVFXHNNVSA-N 698.243 7.994 50 1 KKGF COc1ccc(COCC[C@H](C)O[C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 254076699 KEMFXFONLNFIMG-MELKGVDGSA-N 819.990 7.761 50 1 KKGF CC(C)[C@@H](Br)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586984405 LLKRUIJUFHHSFJ-RUZDIDTESA-N 501.380 6.177 50 1 KKGF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587094020 ZKYCLUHLNGCUST-UHFFFAOYSA-N 535.176 8.687 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376132 OUEFHGGNNVVXTO-GCRSFRQPSA-N 592.217 8.027 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587670461 KPJUELBWGYBWAX-BYJWKAGXSA-N 637.340 6.047 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Br)([C@@H](C)Br)N1 587670949 MVDFLUQTYLBDBU-YRUZYCQGSA-N 506.051 5.912 50 1 KKGF COC(=O)Cc1ccc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)s1 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CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](O)C3CCCCC3)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356300501 MUIWYRWCAIBLJM-UPGPJSNRSA-N 949.293 10.179 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@]21O 2356350095 UTKHPSSJUILTKY-MJJVDEHQSA-N 781.182 8.874 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)[C@@H]2CCC[C@@H]3[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC[C@H]4C[C@H]3[C@@]2(C)[C@]14O 2356357312 RQNSDUUAMGJWLJ-GGRLQZHRSA-N 951.398 6.998 50 1 KKGF CCCCC[C@]1([C@@H]2C[C@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@H]2CCC[C@@H](C2)Oc2cc(ccc2O)C1 2356368066 LWJCHJQZZVWXES-FSDYPCAHSA-N 752.008 9.114 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](C)(O)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C 2356368515 LPOOTXOHIQWMRZ-MTJHJEBASA-N 512.731 5.504 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(CCO)C6)[C@H]4[C@@H]2O)O3)c1O 2356374554 YZTMDSAWMHFVOR-RCTCUQCTSA-N 927.238 8.525 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@H](C2CCCC2)Cc2cccc(c2)C1 2356409439 JFIBJRBNUSOFDC-YKBFMMFHSA-N 745.058 6.032 50 1 KKGF CC1=C(CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]32C)[C@@H]2[C@H](C[C@@H]1OO)[C@@](C)(O)CCC2(C)C 2356431122 CXYXLYVALJRWSW-GWUJTFDRSA-N 508.740 5.634 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C=O)=C3CC[C@](C)(O)[C@@]2([C@H]3CCCO)[C@@H]1O)CCC=C(C)C 2356435564 GJNUMDKBDYSSDZ-JIAMHOQESA-N 576.865 5.961 50 1 KKGF CCCCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 2356484893 LCXIOZVDXMDUJO-UNHORJANSA-N 868.700 12.144 50 1 KKGF 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@]5(C)[C@H]4CC[C@@]32C)O[C@@]12OC[C@H](C)C[C@H]2C(Cl)Cl 2356486953 JXWFIBCMYNNVHU-URAOOPDPSA-N 513.546 5.715 50 1 KKGF CO[C@H](CO)[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@H]3C1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC5 2356489233 PORQRQHUYWTMRI-APNILNRPSA-N 975.284 5.197 50 1 KKGF C=C(C=CC=C1[C@H](O)CCC[C@@H]2C[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)[C@H](O)[C@@H]12)CCC=C(C)C 2356548798 FXONYYPUHYUIQH-UJMPUZHMSA-N 526.758 5.749 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@](C)(CCOC)NCC2=C[C@H]1CCC2 2356564366 MMORFHDQAMJRTE-ASXLKCITSA-N 813.133 6.336 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356587789 XFNVIBDEQIUJBN-VONLERNRSA-N 855.092 5.790 50 1 KKGF CCO[C@H](CC)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC 2356726399 ZSXOESDFZFOLOC-UNVSPMFBSA-N 671.001 7.609 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC[C@@H](c2cc(O)c(Oc3cccc(O)c3)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356765032 JTXNNPCWHJTCPI-MWZYUOISSA-N 613.798 7.577 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 2356773142 RVXSNDIXXZOGLL-MNNXZQSDSA-N 713.154 10.600 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@@]12O 2356774791 DNUIGXQNUPKYEE-PBSTUCDDSA-N 930.379 8.776 50 1 KKGF N[C@@H](Cc1c(SSc2[nH]c3ccccc3c2C[C@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 27429612 MCNYLFAPBYIPPD-KYJUHHDHSA-N 648.858 5.821 50 1 KKGF CNCO[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 85597430 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COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169358555 LTLNAIFGVAUBEJ-LOTCKRAHSA-N 826.475 6.085 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@H](COC(=O)c3ccncc3)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 299806443 QPNLRZTXRIDAFS-VBJSJOLRSA-N 711.893 7.136 50 1 KKGF CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587102107 QJINTCPSQXZHBD-GDLZYMKVSA-N 501.413 6.377 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl 587329204 XMSZLYILGATFQQ-IAPPQJPRSA-N 544.837 7.739 50 1 KKGF O=C1c2ccc(O)cc2O[C@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@H]1c1ccc(F)cc1 587329814 MBYAJKYGCIEADQ-XJKSGUPXSA-N 548.071 5.943 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)[C@@H](C2)C3=O 587413269 MFAXDSWVAAKMBR-UUOWRZLLSA-N 504.207 6.588 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(C)(C)C 587530230 FGNOTMFADUGAJW-VQJSHJPSSA-N 747.013 11.237 50 1 KKGF COc1cc(Br)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587537084 AJFWLXOYXCBYDN-REWPJTCUSA-N 550.199 5.424 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587546631 XALXLROQUAUDST-VAVYLYDRSA-N 517.965 5.682 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1OC 587686546 CZCJKSPIWYLAMS-JWIGPWBQSA-N 549.912 6.283 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCCCl)(c2ccc(F)c(Cl)c2)N1 963165549 VRUHJGRETSBDSR-PIZIKKFZSA-N 654.613 8.022 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2C(C(Br)Br)(C(Br)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963379410 IAXPONDDUDDHKW-QHCPKHFHSA-N 773.110 7.168 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1/C(=O)c2ccccc2[C@]12c1ccc(C)cc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963905334 WQGFARWEFXZSPA-MRBZKEMRSA-N 581.669 5.280 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)N2CCN(Cc3ccccc3)CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857602670 GRHFZPGSDKGYMB-FFUDZRLRSA-N 647.901 5.895 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@H]1C)N43 2356291793 AKWNLQFCYZEMGU-NLKVIGOJSA-N 603.847 5.542 50 1 KKGF CCCCC[C@H](C[C@H](C)O)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356306320 KUCLUCARBMVCOU-AUZKOZKXSA-N 960.316 10.124 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)CCC=C(C)CCCc1ccccc1 2356364739 XJXWSEROVOZLLF-VNACGOBZSA-N 590.845 6.973 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@](C)(O)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)C1 2356564984 KIRZKILDCHMWNV-OEHMLAALSA-N 603.679 6.052 50 1 KKGF CCCCC1=C(Br)[C@]2(OC1=O)[C@H](Br)[C@H](Br)[C@@]21OC(=O)C([C@@H](CCC)OC(C)=O)=C1Br 2356605546 KJJZJKARRMQVGU-UFWYVFBSSA-N 678.006 5.338 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c(O)c(OC)c1O 2356704458 VHXIVTKGIICTKI-IBZIERKUSA-N 656.819 6.278 50 1 KKGF CN[C@@H]1[C@H]2C=C[C@@H](C[C@H]([C@H](C[C@H](OC(=O)[C@]34CCCC[C@@H]3CCC(=O)N4)C3([C@@H]4CC[C@@H]5CCOc6c(O)ccc4c65)CCNCC3)OC(C)=O)CC[C@](C)(O)CSS2)[C@H]1O 2356734774 TWONKCAOHQJWOW-SZPVJPEXSA-N 870.188 6.014 50 1 KKGF COc1cc2c(cc1OC)C(=C(C=O)c1cc3c(cc1Cc1ccc(C[C@H]4c5cc(OC)c(OC)c(OC)c5CCN4C)c(OC)c1OC)OCO3)NCC2 2356744358 YFNGFDLAUMVQDZ-XIFFEERXSA-N 752.861 6.051 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@@H]1C)N43 2356812313 BTJSBAQZMGAJQV-ADTLBZGUSA-N 710.059 9.300 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356855477 RDWVKMRXFATWGM-STERGPOCSA-N 823.139 6.228 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356868413 XBHGSGMMYJIZBR-NSBVNTJNSA-N 817.087 5.797 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]43 85594605 NUTXGWYFYFLIEG-JMFDWOFBSA-N 727.905 5.454 50 1 KKGF biogenic,in-vitro C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 95610357 UFJUEKAJZPTZED-KPXWSOMGSA-N 780.863 5.176 50 1 KKGF OCc1c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cnc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1O 96908091 ZPNMMKSOCLDACI-UHFFFAOYSA-O 675.749 7.268 50 1 KKGF COc1cc2c3c(n(C)c(=O)c2cc1OC)-c1cc2c(cc1/C3=C/CCCCCBr)OCO2 100878457 AGMYPZSHWNZLEM-NVNXTCNLSA-N 512.400 5.652 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccccc2[N+](=O)[O-])N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586881 JCYKJXXKGWVVNG-ZFEZZJPFSA-N 775.874 9.393 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNC(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169302708 QDNYGRJDRIMPOK-RHDVBWPFSA-N 633.823 5.774 50 1 KKGF COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc1 299831350 JCSVJZYBEYWBDT-SANMLTNESA-N 524.617 6.217 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(CC)CC1)OO2 299847898 XFDCBCFZIFCDGE-CYCPRTGHSA-N 689.931 7.574 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCC(=O)NCCS[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299858233 DLYDHXFWSSMGFM-IOETWJGVSA-N 732.884 11.102 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)sc2c1 299863142 ONOSYEVZBIAFIO-WCMJOSRZSA-N 545.112 6.950 50 1 KKGF Cc1ccc(-c2cnc(N3CCSCC3)c(Cn3cc(/C=N/NC(=O)c4ccc(C(F)(F)F)cc4)nn3)c2)cc1 299867973 YZISMNMCCMGOPA-MHDJOFBISA-N 565.625 5.033 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)cc(OC(F)(F)F)c1 587555729 LUNSWLFIWAGDTN-WIYYLYMNSA-N 529.692 6.196 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 587672169 DKCIQJXFIRTBFG-RIXPTXLRSA-N 579.392 7.223 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 587673609 OQXQCFIILGQMCY-OQRWROFFSA-N 586.299 6.594 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 587674197 UKWUEJJASXPCDY-RZFZLAGVSA-N 515.220 5.854 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587688676 MZNLBTMZYOWORG-YWCGKUAGSA-N 511.866 7.390 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 587840349 KKCFADLTXZHYHJ-OYHNWAKOSA-N 511.844 5.033 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 653813145 DNUSDOMFDYZXKB-QLQYKETESA-N 630.677 6.739 50 1 KKGF Cc1cc([C@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)cc1Br 962565786 CNSBUNATHJCUDD-CYTLCNBWSA-N 631.954 7.204 50 1 KKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(CCCCCCl)c1cccc(I)c1 962703167 HVWBCOJHXNAYMY-YKSBVNFPSA-N 543.917 6.837 50 1 KKGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963038427 SOAGTBXTNULTIH-ILFWFZRHSA-N 645.102 6.686 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CC)(CCCBr)N1 963168738 DNOUZVCMRGTTHQ-BZKUTMRRSA-N 598.585 6.747 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](c2cccc(Cl)c2)([C@H](C)Cl)N1C(C)=O 963329817 UXUDLUYTQNSAJG-MKRCSTMGSA-N 756.661 6.014 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cccc(N3CCCC3=O)c2)N1C(=O)c1ccccc1 963452668 YVZBHECGGMWUHK-QCDSWUKFSA-N 572.459 5.085 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(C(C)(C)C)cc1)c1c(NC(=O)CCl)sc2c1CC[C@H](C)C2 963642608 ZANKDMCHYSLIAO-SHROTLKGSA-N 581.222 7.191 50 1 KKGF CC[C@@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963852682 DDWAQFRFLKDBMO-MBEZDYHHSA-N 559.501 6.007 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772596910 SNZCABRUTZVTFC-WYZJSBFCSA-N 689.846 9.742 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356301028 PYXYKXYKRWCPFH-LJYCIQFISA-N 859.124 5.833 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 2356352598 XCORWOQIWRVUOY-HRWYCXTESA-N 971.292 8.982 50 1 KKGF COCCC[C@@H]1CCCC[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@@H](O)CC4 2356362957 GOHRRKBBLYFFGZ-KLKAAWJBSA-N 903.221 6.270 50 1 KKGF CNC[C@@H]1SSC[C@H]([C@@H]2C[C@@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@H]1C2 2356483820 YZJNNQHPNBUBGJ-UOHNEGKGSA-N 724.942 6.751 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356588756 FXCRSCRJPGCRJB-GPDYSTJBSA-N 955.345 9.432 50 1 KKGF CC(C)Cc1cccc([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@H]24)c1 2356666420 LTPNJETVPNYTTJ-XNOJHBEKSA-N 680.037 7.109 50 1 KKGF COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C 2356688785 MBLLNIOSKJLQAZ-UHFFFAOYSA-N 580.897 11.742 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](CCCSS1)[C@H](O)CC(=O)CC2 2356773405 YMTWOTBOXWKPHH-IAIFEWERSA-N 524.704 6.806 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc3c(c2)[C@](CN2C=CNC2)(CCN3)SSC1 2356810784 BBJZBHARVQKIHK-XWLNNVKHSA-N 620.841 6.179 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@H]1C)N43 2356812316 BTJSBAQZMGAJQV-OOFJVZOPSA-N 710.059 9.300 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC21CCCC1 2356843643 NNWBGJMDPOEAPP-QYGXJLRVSA-N 856.208 7.259 50 1 KKGF COc1cc2cc(C(=O)Nc3cc(NCc4ccccc4)c4ccccc4c3CCCl)[nH]c2c(OC)c1OC 28521824 PJHZHMYLPFMGOS-UHFFFAOYSA-N 544.051 6.993 50 1 KKGF COc1ccc(/C=N/NC(=O)Cn2c(-c3ccc(O)c(OC)c3)cc(-c3ccccc3)c2-c2ccccc2)cc1 66098006 CZXICOGTXWRBEQ-KEIPNQJHSA-N 531.612 6.362 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)OC34CC5C[C@H](C3)C3(OOC6(CCCCC6)O3)[C@H](C5)C4)cccc12 102899284 CXGPKKVIHUAMBB-MMJFNSNVSA-N 513.656 5.525 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498940 QYELSLQTESGEAJ-MUUNZHRXSA-N 506.385 5.850 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539426 WJEBKWXAWFSOLN-GUDGPEQWSA-N 525.395 5.984 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1c(NC(=O)[C@@H](C)Cl)cccc12 587687424 GOZQBYVDUXIOCG-YFONVMMFSA-N 527.821 5.525 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 587840913 OFYBPVWKFHPTPA-QRQCRPRQSA-N 511.844 5.033 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21)c1ccccc1 962956003 OAXZLPFPZHEYCB-LXANVCGNSA-N 571.643 6.276 50 1 KKGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCCCCl)(c2ccc(I)cc2)N1 962959190 FCCDSGMJJJWLRM-OXJNMPFZSA-N 540.175 5.474 50 1 KKGF CC(=O)Oc1ccc(C[C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963013252 QSHLBPPVUCYCIW-ABYGYWHVSA-N 551.426 5.575 50 1 KKGF CCCCOc1ccc(B(O)O)cc1[C@@H]1c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963089249 WSEHPEFOWWLGJH-PDRJUJFWSA-N 777.572 6.591 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cc3ccccc3o1)N(C(=O)c1ccccc1N)CC2 963147481 QOUUJSQZCJXRFA-MHZLTWQESA-N 521.411 5.369 50 1 KKGF CCCC(=O)Nc1ccc([C@@]2(CCl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963158127 MSOCASSJWVVFRB-LJAQVGFWSA-N 522.045 5.206 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2[C@@]2(CCC3)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963191249 STJIZPDJWKCEKF-GXQBVHIGSA-N 655.707 6.690 50 1 KKGF BrC[C@]1(c2cc(-c3ccccc3)no2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816986 IXLPRKVYVNTLOH-MUUNZHRXSA-N 514.423 6.186 50 1 KKGF Cc1cccc2c1[C@@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862845 ICVDIHXMUQDXND-KPURRNSFSA-N 529.077 6.099 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(C(C)(C)C)cc2)nn1 1857747995 STSFTQNHSYCMAZ-ATXDPIBJSA-N 545.768 7.371 50 1 KKGF C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2c(F)cc(OC3CN(CCCCl)C3)cc2F)N1CC(C)(C)F 1911579854 SQYHHMZOJJIRII-XGCWNURASA-N 520.039 6.222 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNc2cc(ccn2)[C@H]1CCCO 2356293410 GXBUYGWJEJWZDV-QUKBYREGSA-N 634.864 7.439 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCC6)c(=O)oc5cc1O2)[C@H]43 2356299584 FENRYQKTHDWIIE-KUQGLSRUSA-N 899.145 5.399 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356301311 UXOSVHCMTLOIOH-DGKFGLAVSA-N 895.157 6.175 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356360870 QEZFPCQAONZDAC-UHIJVLBQSA-N 925.315 9.612 50 1 KKGF C=C1C=CC=C([C@@H]2[C@H]3CCC[C@]4(O)CCC(=C(C)C=O)[C@H](CCCO)[C@@]4(C3)[C@H]2O)COCC#CCC(C)=CCC1 2356371688 ODENFNHLXBCPNW-DATVRVMLSA-N 548.764 5.772 50 1 KKGF CNCc1cccc([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@@H](CCCO)[C@@H](CO)C5)c1 2356372226 AHDBGEZCBGQJDZ-PCOYPLGGSA-N 666.998 5.773 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@@]45CC[C@@H](CSSC[C@@H](CC[C@@H]3O)[C@H](C)CC[C@H]4NCCO2)C5)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356432856 OQFHKKSUYYFZJW-NCINQWDHSA-N 938.262 5.254 50 1 KKGF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)C[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356573792 AMYSIWTVVYSJPA-PFKPOIEBSA-N 629.319 5.261 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNC7=CC(=CCN7)[C@@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356814801 CLJWENGJUIOFCH-HYYYBXAMSA-N 706.971 6.914 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(O)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(O)ccc21 14944328 IWMOCSLVFAOWEJ-UHFFFAOYSA-N 594.718 7.385 50 1 KKGF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12 49672551 OWEDJIZMZBDWGA-SPWRFUBISA-N 638.782 6.814 50 1 KKGF COc1ccc(/C=C/C(=O)N(/N=N/c2cc(C(F)(F)F)ccc2Cl)c2cc(C(F)(F)F)ccc2Cl)c(OC)c1 72177952 PFCQJOVPEGKEHD-VZKVSVTQSA-N 592.323 8.794 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CBr)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 95609577 DXCPYSWTLLHPHO-MRXNPFEDSA-N 752.541 5.366 50 1 KKGF COc1ccc(CCn2c(C(=O)NNC(c3ccccc3)c3ccccc3)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC 95612489 FPUOEWHQWBPPIQ-UHFFFAOYSA-N 769.851 7.733 50 1 KKGF CCN(CC)C(=O)/C=C(\C)c1ccc2oc(C(=O)c3ccc(C#N)cc3)c(NC(=O)/C(C#N)=C(/C)O)c2c1 147432245 XNKVKPDZYYECOF-DNHURMHYSA-N 510.550 5.101 50 1 KKGF CSCC[C@H](N)CSSC[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 254133962 QXXMSEVVNUSHKJ-YTCPBCGMSA-N 582.857 5.778 50 1 KKGF COc1ccc(C(=O)c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587144993 UHSSALOVYHJJIV-UHFFFAOYSA-N 551.306 8.029 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587221184 VOBAUVPBNSGXJT-KRWDZBQOSA-N 614.431 8.072 50 1 KKGF O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCc1ccccc1 587226285 WHWVETVQRJMOGY-XZWHSSHBSA-N 701.718 7.102 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 587320486 AOECVCVBWPPSEY-IXCJQBJRSA-N 554.843 7.195 50 1 KKGF C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321836 FMVBEAJBUOADDT-UPLWYPAWSA-N 503.353 5.946 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1[C@H](C)c1ccccc1 587329982 ZDCIOBHBSHYIME-ZDRFMVIZSA-N 504.001 7.052 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587331847 KEJOMNCVRTYYGP-RQBCYIDASA-N 707.210 7.775 50 1 KKGF COc1cc2c3c(c1)O[C@@](CCl)([C@@]14OC(C)(C)O[C@@H]1C[C@H]1[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]14C)[C@@H](C2)C3=O 587421773 AOYMAZWLUWKJCY-KGXAXRNJSA-N 615.138 5.515 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 587674127 SYXYGYUYHOSDSY-YEJXKQKISA-N 520.281 5.360 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962720914 YLKDSGYGAMURSR-KVCFCBMYSA-N 872.425 7.585 50 1 KKGF Nc1ccc(S(F)(F)(F)(F)F)cc1[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186763 LFVFTPIIEBCOBQ-AVRDEDQJSA-N 572.905 7.489 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCOC(=O)NCCCCNC(=O)OCCC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772655326 SXAXRYKKMZEEPO-QKBAYODKSA-N 793.008 7.280 50 1 KKGF N#CC1=C(NCCC(=O)NCCCCCC(=O)NCCCCCCNc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O 1857535881 OTPNEQMODCNHMR-DIPNUNPCSA-N 946.925 7.031 50 1 KKGF CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCC[C@H]1CCSS1 1857562901 ZPSWYIUCRQOXDP-SFHVURJKSA-N 545.105 7.116 50 1 KKGF C[C@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857571688 GOGISOZLIRIZSU-INIZCTEOSA-N 533.359 7.150 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356292459 HMIPWTRJAHFUMS-ISVQENNVSA-N 821.123 6.558 50 1 KKGF CNCc1cc(O)cc([C@@H](NC2CCCCC2)O[C@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356352623 XMROVBDHQAOBCX-ZMEFLVBSSA-N 745.020 9.315 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1C[C@H]4CC[C@@H]6CCC[C@@]6(C4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356365707 QOJRDOLSEZLRIJ-HGRIPKMESA-N 940.374 8.386 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@]34C)[C@H](O)CC1=C1CCCCC1 2356371943 UMEJQVNUJLOCNC-GYQVKNOKSA-N 753.128 8.094 50 1 KKGF CC[C@H](C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]5O[Si](C)(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356653516 FUWBZRNBUHDSFT-XEHABBNUSA-N 863.575 13.062 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]15CCCC[C@@H]1C[C@H]([C@H](CO)OC)[C@H]1C=C[C@@]5(C#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)C1)CC[C@H](O)CC(=O)CC2 2356756154 ZIMCKGDDUXNULR-GLTVRTKGSA-N 983.307 6.043 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]12O 2356767768 HKXCLNJZDBNSBO-IKBFGYEOSA-N 908.373 9.000 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O 2356816273 CZOCSPHIKWBHMW-PFKZPUKOSA-N 931.234 7.629 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@H](O)[C@@H](CCC1)CC2 2356818934 DXPPPRVCSMNHTP-YGXKHTKDSA-N 802.116 6.089 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@H]1C)N43 2356826324 HITOLLCDOURIST-TYVSWTCNSA-N 677.973 8.038 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CC4(CCCC4)C[C@@H]1C=CC1=CNCN13)c1cc2cnc1N 2356826486 HXSVGMVEVXLZLN-CLGDHYINSA-N 724.993 8.215 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@H]([C@H](C)Cc4ccccc4)C[C@H](NC[C@H](C)O)CC[C@H]3O)C=C12 2356851692 QIRCMVNKDYLZRE-RIBAOBKISA-N 967.352 6.753 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@H]1C)OO2 72128510 XBRORBLNQLHKMJ-IPTVLQHASA-N 617.868 7.642 50 1 KKGF O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@H]1C[C@@H](Cl)c2c(Br)sc(Br)c21 89468953 MMFTXPRJSWYVPA-HIFRSBDPSA-N 565.734 5.071 50 1 KKGF Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)cc2)n1 95606183 RNMKXUUTOBIGRU-UHFFFAOYSA-N 827.008 7.406 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCCl)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103295734 IIRAWPFZHISLGG-PROZZQCMSA-N 535.209 6.902 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C(=O)O[C@@H]1[C@@H]3[C@@H]1CC[C@@H]4[C@@H](O)C1 150345620 OOXQONXFQNHNLB-FXEHLGSFSA-O 862.023 5.870 50 1 KKGF biogenic,in-vitro CC(=O)OCC/C1=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(\CCOC(C)=O)SS1 169292838 YIMGKWDGPUQNDH-VRQWBOTBSA-N 570.818 6.569 50 1 KKGF CC(C)(/C=C(/C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N1CCCC1 224310503 JPACCQDPUDOSKA-NMFWXREBSA-N 594.695 5.322 50 1 KKGF O=C1c2ccccc2[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 587053548 DATDWUNUNCRURT-LOSJGSFVSA-N 602.456 9.799 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3cc21 587055824 NIBNCNJTELFEIG-USHMODERSA-N 771.749 10.602 50 1 KKGF CCOc1ccccc1[C@](N)(c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(F)(F)F 587092969 PQXQZPQKFOKQDG-INIZCTEOSA-N 540.274 7.146 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376141 OUEFHGGNNVVXTO-XAGDYJCDSA-N 592.217 8.027 50 1 KKGF O=C(O)C[C@@H](Br)[C@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497605 DBDDBBPQNUJZPR-DENIHFKCSA-N 508.206 5.427 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 587684904 MVXKYGFJPJVXHZ-CPJLOUKISA-N 501.827 5.982 50 1 KKGF COc1cccc(C(=O)[C@H](Cl)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587688905 OIQGRYSWXUNWSY-ZQNCRGTDSA-N 532.837 5.874 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 587713883 OJGJVEPTHRGWQH-IHLFRJKRSA-N 612.440 7.975 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1c(-c3ccc(C(C)(C)C)cc3)[nH]c3ccccc13)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673578 CWCVINBQQNCHIH-QNGWXLTQSA-N 661.164 9.349 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc3c(c1)CCN3C(C)=O)([C@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674116 MYKZNIYADWGYJQ-PBYQXAPXSA-N 587.038 6.201 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(c3ccc(Cl)cc3)[C@@H](Br)c3ccccc3)c(O)c2C(=O)O1 962976207 VJXDUWLTYNKFBH-JQAIZMHJSA-N 695.393 7.332 50 1 KKGF COc1nc(O)c([C@@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c3ccsc3CCN2Cc2cccnc2)c(O)c1OC 962993505 BZLAZCKXGAUQRK-ZMLWSTMWSA-N 566.551 5.777 50 1 KKGF CN1C=C(OCc2ccccc2)[C@@]2(C=C1CCl)c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963089273 GOFXYNBDCLQLEJ-ZSFNYQMMSA-N 653.222 8.312 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 963140265 JLNPFSNBDAONHK-NLFFAJNJSA-N 530.002 5.447 50 1 KKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1 1772580673 WEAGLJADRLBDEK-KLPHOBTLSA-N 554.966 5.356 50 1 KKGF C(=C/c1ccc(OCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1 1857536874 UHWABMHZOKZEMM-WCWDXBQESA-N 513.641 8.010 50 1 KKGF C[C@@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 1857626854 UVECCUOFVSIRQV-RZRQATLRSA-N 746.942 6.670 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)c6cc[nH]c(=N)c6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CCCC1 2356295257 YDUPMVHTHJNNBW-LATHVGBQSA-N 774.062 6.474 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356357412 IRQZUYBWVYCTAW-PQQZHPSYSA-N 918.324 7.111 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356372131 YSCADLZTOOWSMJ-JAFCTARXSA-N 853.198 7.269 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@@H](C)C1(C)C)O[C@@H]2O 2356390785 CTHUSBFULVXKNC-HIDZGQEBSA-N 711.081 11.056 50 1 KKGF CC(=O)NC[C@@H](I)CC(C)=C1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@H]1C 2356490490 KGBSGBJFEOXATN-IGMGCDFHSA-N 623.616 6.746 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCO)(CSSCO4)[C@@H]85)C[C@]4(CCC[C@]45CCC4(CCCC4)C5)C[C@@H]7NN6)[C@H](O)[C@H]3O)c2c1O 2356493665 AQJIHVSILVWPLJ-DKQXAWCUSA-N 983.256 6.488 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](C1)[C@H](CCc1ccccc1)c1ccc(=N)[nH]c1C#CCc1cc(O)c5c(c1[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O5)C3)C2 2356689751 XHOWHFAZOPOEKG-LBWBFRRCSA-N 988.285 10.966 50 1 KKGF COc1ccc(OCC[C@@H]2C[C@H](C(=O)[C@H]3C[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)OC(C)(C)O3)OC(C)(C)O2)cc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c5ccccc5)C[C@H]([C@H]2[C@@H]1C)N43 2356826322 HITOLLCDOURIST-HEWVYQDRSA-N 677.973 8.038 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356864444 VUWOFLIPMKRMHJ-DRBXKNIQSA-N 733.953 5.328 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356865538 MAYYKYZWGZLBPC-RIADLSSISA-N 822.131 6.282 50 1 KKGF Cc1ccc(NC(=O)c2ccc(N(CCCl)CCCl)cc2)cc1Nc1nccc(-c2cccnc2)n1 14209578 SLVNNKYLCXGBRK-UHFFFAOYSA-N 521.452 6.127 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 27843422 SLMQCHQWMSSKIZ-BEJSXWRTSA-N 623.775 6.948 50 1 KKGF Cc1c(/N=C(O)/C(C#N)=C2\SC=C(c3ccc(Cl)cc3)N2c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C 44386285 SEKMYFKQMDWPHA-OLFWJLLRSA-N 574.493 7.366 50 1 KKGF COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OC/C=C/c2ccccc2)OCO4)cc(OC)c1OC 49679708 JEVZSEHNQPCASV-UFKGKAHUSA-N 528.557 5.042 50 1 KKGF O=C(NNc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2F)nc2ccc(N3CCCC3)cc12 49756606 YZKMWGJSQRIHKP-UHFFFAOYSA-N 581.523 7.074 50 1 KKGF CCCCCCC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 49832984 JUHDXMFVSBYYOZ-DGPALRBDSA-N 683.629 6.459 50 1 KKGF COc1ccc(C[n+]2cccc(CCCCCCCCCCCCCI)c2)cc1 84654767 BWOIVWMVVRHMBN-UHFFFAOYSA-N 508.508 7.300 50 1 KKGF C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCC3(O)CCCC3)/C(=C(\C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 103525727 NHNMGQOAZVFFMM-KWIFXHRCSA-N 540.785 6.283 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169354475 YCOIJPSIDUQDNN-NTVZNGMISA-N 812.448 5.694 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 169358778 LOXUGGFFDIDMLB-OSBSWCENSA-N 508.699 7.000 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](CSCCCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169372617 IYYRWMHGTXIFHA-ZLWXXOLGSA-N 696.925 6.400 50 1 KKGF CCCCCC[C@@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621811 PWBCODFOAWWVMF-PFAUGDHASA-N 709.406 8.079 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3c(I)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058287 XYYBDCGNAXLCGL-QPEQYQDCSA-N 568.633 6.994 50 1 KKGF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2F)c1 587143534 HKQBUMSLCYBFNE-UHFFFAOYSA-N 567.305 8.163 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)cc1 587538066 MXQSKKMOPMWYGY-LSYYVWMOSA-N 517.375 6.223 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1scc(Br)c1Br 587610460 CIODCLRJOJTAPC-LIRRHRJNSA-N 575.072 6.231 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(SC(F)(F)F)c2)N1 587721415 PZRWKKWUKIRDLM-DYZYQPBXSA-N 513.192 6.373 50 1 KKGF CCOC(=O)[C@]1(CCBr)CCC[C@@]12c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961774561 HKZVWICCHZUNQB-CLJLJLNGSA-N 521.496 5.552 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cccc(Cl)c1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962681893 XJLJKBZNGWBFTP-RUZDIDTESA-N 586.807 6.852 50 1 KKGF CC[C@@H](C)[C@@]1(CBr)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962696377 DRYNATRYTAKBLG-CMJOXMDJSA-N 514.382 6.057 50 1 KKGF CC[C@H](Br)[C@@]1(c2ccccc2)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962932110 DRSZFDXZXWXNTP-WFNBVUIQSA-N 612.904 5.716 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1CO[Si](C)(C)C(C)(C)C)c1c(F)cccc1C[C@@H]1CCCN12 963100526 BKDWMLTXAUNZTI-VPYPWEPUSA-N 504.763 6.463 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2[C@]2(CCC3)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 963102947 XNCKAESKVXNEQK-UARNVBAXSA-N 685.824 8.140 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](c2cccc(OC)c2)([C@H](Br)C(=O)c2cccc(OC)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963366315 KGQOAOWRMVLAQB-JXKPJJBDSA-N 762.653 7.648 50 1 KKGF COc1cc(N[C@@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccccc1 1857760334 GYFFJJZUDSIHFX-UCARYTSHSA-N 627.826 8.030 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OCCC(C)C)c1O 2356349555 HORAHEVKKPFNCK-PUJYOMNUSA-N 696.928 7.989 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@@H]3O)cc(C(=O)O)cc2c1O 2356364984 CSFRVPIHRLBUNR-KABVQBGOSA-N 828.999 5.211 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356366789 QLPSZCYQVIFFAX-JRXPXXBESA-N 789.161 8.260 50 1 KKGF CNCCCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356390089 PXEOIAVBWGUUPB-VAEOHDBGSA-N 889.197 8.156 50 1 KKGF CC[C@H](C)C1=C(C=O)C[C@]2(C)[C@@H](CC=C(C)C)C[C@@]3(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@H]12)C3=O 2356514979 UMWJFTBXLSDEAV-AHFFGSGBSA-N 522.726 7.063 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNc3cc(ccn3)[C@H]2CCCO)CCCC1 2356546731 QUUPMTWVIGGSFU-XFXMSDGKSA-N 688.956 8.610 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SS[C@H]5CCC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)C5)c(O)c(OC)c1O 2356614234 MASSNJHOOAPKHV-QGEOIHTASA-N 738.921 6.661 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356637002 DIPMZGXKEBWQAW-CPEPZJHESA-N 783.107 6.506 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@@H]2CC[C@H](O)Cc4cccc(c4)CC[C@H](O)CN[C@@H]4C(=O)N[C@H](N)c5cccc(c54)CC(=O)C(C)=C2CC[C@@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356686150 UPAFSYOLUKYGQO-WXMHJRFQSA-N 962.332 7.765 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C3CCCCC3)[C@@H]21 2356733885 DFAJESZZTCQKIT-SITUCZOMSA-N 972.416 8.499 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C2CCCC2)Cc2cccc(c2)C1 2356747982 KTJDIHVSYFNWSZ-HKHKWTEQSA-N 769.080 6.054 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](C4(CCCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356777224 PPPNWTQJBMXWML-QGWMEDSNSA-N 966.409 7.838 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@H](C2(n3ccnc3)CCCC2)SSC1 2356814693 CKMFDVXSSYEDOU-RZYUNOLVSA-N 622.857 5.919 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356848734 PIECKVOCJYUMMC-FDQAZRBHSA-N 875.167 5.795 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356858248 SXVMOVAOPXFNDZ-WUPRAFKFSA-N 924.283 7.310 50 1 KKGF O=C1N(Cc2ccc(CBr)cc2)[C@H](Cc2ccccc2)P(=O)(O)[C@H](Cc2ccccc2)N1Cc1ccc(CBr)cc1 3942959 FFXHPSLWFWPPON-MEKGRNQZSA-N 696.420 8.322 50 1 KKGF N[C@@H](CCCCCNCCSSCCNCCCCC[C@H](N)Cc1ccccc1)Cc1ccccc1 28221483 RUCFDPLZBRZEPR-KYJUHHDHSA-N 530.892 5.808 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc([C@@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)o3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297442 MIABXERTWXQMDZ-WUVPTWRKSA-N 600.749 7.126 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@@H](Cl)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169372148 YNMLUPLDAJOVTM-KNBVRWJSSA-N 605.212 5.778 50 1 KKGF CC(C)(C)[Si](OC[C@H]1C[C@@H](Cn2cnc3c(Cl)nc(N)nc32)c2cn(Cc3ccccc3)nc21)(c1ccccc1)c1ccccc1 195813707 VSGJCPJLOHPTAS-RRPNLBNLSA-N 648.287 6.154 50 1 KKGF O=C(CC[C@]1(CCOC(=O)N(CCCNc2ccnc3cc(Cl)ccc23)Cc2ccco2)OOC2(O1)C1CC3CC(C1)CC2C3)NCCN1CCOCC1 197912033 QYLJEUUKDRGYMG-AHJCBUPUSA-N 766.336 6.368 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CCCCCC[C@]3(C[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253691679 VFLZQZBJXDIHSH-YCFFZJDJSA-N 899.084 8.253 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 299815070 RKLDGEIKBMOFAU-KYBKXYGNSA-N 563.474 5.440 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299831792 RWPJHYYGAGYJMG-NMOJVZIWSA-N 846.465 6.345 50 1 KKGF COc1ccc(NS(=O)(=O)c2ccc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3c2)cc1 586973734 NJKQLSGPRPPVLA-OAHLLOKOSA-N 500.418 5.419 50 1 KKGF O=C(N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 587032855 DGLOOQIWPRVNLT-FQEVSTJZSA-N 734.610 10.890 50 1 KKGF O=c1cccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1CCOc1ccccc1Cl 587064532 VDZMVQLRJSKRDW-UHFFFAOYSA-N 570.765 7.544 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc3cc(Cl)ccc3o2)[C@@H]1c1ccc(F)cc1 587319471 BVLOYHBOVUQSEA-ISKFKSNPSA-N 501.735 6.580 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323575 LESDBANRJKDYEW-MOEKTUBNSA-N 541.962 5.944 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccc(Br)cc1)(C(Br)Br)[C@@H](C2)C3=O 587415144 QDSDBOCMHAVMJE-UGSOOPFHSA-N 517.011 5.217 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 587682302 LFLQWIKQHCXKEL-UGZDLDLSSA-N 546.028 5.366 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@]2(c3ccccc3OC[C@@H]2Br)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089087 QCFVRQKZHUGDGP-QXDWOSFHSA-N 616.555 7.390 50 1 KKGF CCCCCCCc1ccc([C@@H]2C(C#N)=C(C)NC3=C2[C@@]2(c4ccccc43)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963135778 COLPWPWXBSAMMH-CREXIDCTSA-N 678.877 8.650 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1c(Cl)ccc(Br)c1F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963780591 ZUVKGYSTCUXRPC-NDEPHWFRSA-N 664.753 6.646 50 1 KKGF COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2OP(O[C@H]2CSSC[C@H]2OCc2ccccc2)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1772586162 OKKQBSKAJFVDDH-KBEYEHBXSA-N 916.112 9.667 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857563762 LKSQTXAFGHDCRB-INIZCTEOSA-N 513.428 5.526 50 1 KKGF C[C@@]12CCSSC[C@H](NC(=N)N)CC[C@H]3CSSC[C@H](CCO)[C@@H]4CC[C@H]1CC1=C3C(=O)C[C@]142 2356370845 UTPKMLSOHZHCPO-UXPRZSPTSA-N 541.874 5.105 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1[C@@H]1C=C(C)CC[C@H](Cl)[C@@]3(C)CC[C@@H](O3)[C@](C)(O)C[C@@H](O)C1=C(C)C2 2356383866 BEJASAFEMXKLJK-YFNRAQDGSA-N 719.400 7.492 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NC1CCCCC1)c1ccc(NC[C@@H](C)O)c(CO)c1)CC(=O)CC2 2356384244 MKVYLPQCQMASCH-POQHROKXSA-N 789.073 9.175 50 1 KKGF CC(=O)O[C@H](CC=C(C)[C@@H](Cl)C(Br)Br)[C@](C)(Br)CCl 2356453621 DTCZNJROCVEBBU-CKYFFXLPSA-N 503.884 5.370 50 1 KKGF C=C(C=O)CC(=C)COC(=O)[C@](C)(O)C[C@@H]1CC[C@H](O)[C@]2(C=C(C)C[C@H]([C@H](C)C=C[C@@H]3CC[C@]4(CC[C@@H]5O[C@H]([C@H](O)C[C@H](C)[C@@H]6O[C@]7(CCCCO7)CC[C@@H]6C)C(=C)[C@H](O)[C@H]5O4)O3)O2)O1 2356460774 IXHIMLDLLGVXHB-HMPKRVJMSA-N 913.155 6.374 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CC[C@H](CNC)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O 2356483915 CIRPZZGIVZGOGV-JVUAWURNSA-N 945.251 5.023 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](O)C7CCCCC7)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356519703 MPDXWROKPVNXFQ-HBMUHJIDSA-N 975.331 10.569 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)CN[C@@H](C)CCOC 2356575543 RPAPKNHASJOCJU-BTGHWYPDSA-N 735.063 6.556 50 1 KKGF CN[C@H]1[C@@H](O)[C@H]2C=C[C@H]1SSC[C@@](C)(O)CC[C@@H]([C@H](C[C@H](OC(=O)[C@]13CCCC[C@@H]1CCC(=O)N3)C1([C@@H]3CC[C@@H]4c5c3ccc(O)c5OC[C@@H]4CCO)CCNCC1)OC(C)=O)C2 2356602454 ADWRXSKBDDUAQF-LHOBMIFQSA-N 914.241 5.623 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCCC[C@@H]2CNC)Cc2cccc(c2)C1 2356723374 GOIXWAYFKKSJPF-DDUGSGKJSA-N 966.358 6.665 50 1 KKGF CC1(C)[C@@H](Br)CC[C@H](O)[C@H]1CC[C@]1(C)O[C@@](C)([C@H](O)CCl)CC[C@@H]1Br 2356725304 CXSYXYOPYBYQCA-ZNYIFKHTSA-N 504.731 5.018 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 2356739363 UGOLTZRZBPOGFH-GZFCJTMPSA-N 644.944 5.610 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCNC7=CC(=CCN7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356816952 DFRSNKGURACAPS-KJLSYOGXSA-N 686.984 8.767 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356826255 HWJMMVOGPDSAIE-UAPMXPDJSA-N 829.006 6.803 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@@H]3[C@H]1OC4=O 2356837279 LIXUPVAYPKONRA-BFCCOTMESA-N 806.967 6.312 50 1 KKGF CC(C)c1ccc2c(c1)CC[C@H]1[C@@](C)(CNC(=S)NNC(=O)Cn3c(C4CCNCC4)nc4cc(Cl)c(Cl)cc43)CCC[C@]21C 28231076 YBKQGIVRWXQJJS-KGJXQKDRSA-N 669.767 7.139 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@H](C)COC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 72134964 NEMMSRWWWNYJJZ-CBNJFLNNSA-N 765.004 13.067 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2c(Br)cccc12)=N/O)/C(Cc1c[nH]c2c(Br)cccc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i](C)(C)O[C@@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1 170069470 QTTFTVPTSUAFOG-XQKNLLDYSA-N 583.805 5.796 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195464129 HJZKIBHFMSMROG-OQLXKQOESA-N 711.907 7.130 50 1 KKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C\C=C(/C)C=O 255209676 FPLASDSFNINBIY-HOQVGAFZSA-N 548.855 11.893 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323606 RYTGIUPNTZZNOQ-FJIJXJHWSA-N 564.201 5.786 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 587327819 RTISMGCJPHQNCM-BHDXBOSCSA-N 532.055 7.730 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)cc1 587333648 WROBJDVOAKHLMW-IRLDBZIGSA-N 513.256 6.339 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@](c2ccccc2Cl)(N(C)C(=O)CCl)CCC3)c1 587358793 UOKZTYVWDGZDMA-WJOKGBTCSA-N 545.466 7.587 50 1 KKGF CC(=O)O[C@]1([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587374274 HQIWDVWZKSZCCE-ZVMNKQCSSA-N 600.583 6.942 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)[C@@H](C2)C3=O 587427903 LIVVAOYCDMMWAJ-UQBPGWFLSA-N 559.787 5.413 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3)OCc1ccccc1 587499078 RRRHIHNQSNVZDJ-FIBWVYCGSA-N 504.026 6.046 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccccc3Br)c2c1 587618618 OVWWWDCSOFTXPY-UHFFFAOYSA-N 550.818 6.054 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@H](Br)CC(=O)O)N1 587669232 BRXQYXBTKKXCLC-RVSFGVKLSA-N 505.609 5.258 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 587669541 DVXVTZSBRBOWLF-XYZCENFISA-N 537.021 5.390 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 587674592 XWKQFQYLUDWVOS-YEBMWUKDSA-N 601.141 7.055 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 587712279 KJVCUXJXEHIQTM-NPMABZOXSA-N 529.803 7.031 50 1 KKGF CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCl)ccc2OC)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587896212 IOHBZRSLTKOUIW-UHFFFAOYSA-N 652.984 5.479 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CBr)(C2CCCCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962564413 AIOQDSVCWOVBCY-JOMNFKBKSA-N 575.503 6.513 50 1 KKGF CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962568872 IRNWKGNRAFWWDT-KBPOQJSISA-N 760.356 9.049 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962703423 CSVDPEQGMXMDIQ-BZXCJFESSA-N 764.667 7.693 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]12c1ccc(OC)cc1C[C@@H]2Br 962991437 IOWLEHZOXFLAJD-LMSSTIIKSA-N 584.894 5.587 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C)c1cc2c(cc1NC(=O)[C@@H](C)Cl)OCO2 962999231 UEZPFAFJGNQRTF-WTPASJBYSA-N 613.494 5.573 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@](CCCCCl)(c2ccc(Cl)nc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963192328 TYMKHQSBRBLRIH-UCGGBYDDSA-N 591.491 7.241 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(OC)c(OC)c1)[C@H](Br)C(=O)c1ccc(OC)c(OC)c1 963242023 PBDWVPPNAWAUPX-OCFVZGOTSA-N 582.535 6.268 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1C(C)=O 963318338 UCXGOOCEIZCULQ-PTVSMQAKSA-N 798.340 5.419 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C)(c2ccccc2NC(=O)[C@@H](C)Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381365 VZWTWERJSXFPAG-YBULCYHKSA-N 625.121 6.570 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@]12c1[nH]c3ccccc3c1C[C@@H](C(=O)O)N2C(=O)c1ccccc1 963413522 IOVOOMNIFGGWPR-SAGWHXFDSA-N 518.730 6.479 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(/C=C/C(=O)c4ccc(OCCO[C@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@]86OO7)cc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772592697 QUOJYJLTEIFACP-NBVGGZBESA-N 861.038 8.790 50 1 KKGF CC[Si](CC)(CC)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857577563 JJWQTVOMUMUXHH-NDFBFGNASA-N 582.854 6.591 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@@H]2CCCO)CCCC1 2356301297 UKYNYCCCAVHXDH-PUYWQEPPSA-N 762.051 7.906 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@H](CCCO)[C@]42CC3=O 2356350353 AQTFHYRYBXDDQP-CFFFZLKRSA-N 519.821 5.961 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c3c(c2)O[C@]2(CNC)C[C@@H](C[C@H](O)OC)[C@H](CC#CO3)C2)N1 2356363689 LPSIYRVPKJUBGM-OSOZXZFESA-N 833.130 7.559 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC13CCCC3)CC[C@@H](O)CC(=O)CC2 2356450479 WFILRGLFQMGLLF-MQEDSAEMSA-N 871.179 6.398 50 1 KKGF CC[C@@H]1C=C[C@]2(c3cc[nH]c3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@H]2C1 2356487388 ZHDVLZJLBGWCMY-NWRHNEBHSA-N 529.724 6.029 50 1 KKGF CO[C@H](CO)[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@@H]3C1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC5 2356489235 PORQRQHUYWTMRI-WTIGOBGGSA-N 975.284 5.197 50 1 KKGF CCCCC[C@@H]1[C@H]2CC(=O)N1Cc1cc(cc(OC)c1O)CC[C@H](OC(C)=O)C[C@H](O)CCCCCCSSC[C@H](NC(=N)N)C2 2356727279 LTEXJOXQAWZFCM-HRLYRCPASA-N 680.978 5.901 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@@H]4[C@H](C(C)C)CC[C@@]4(C)CC[C@]23C)C1(C)C 2356873562 ZFSNVDPFIMUXQN-LNZKCTQJSA-N 500.764 8.064 50 1 KKGF O=C1[C@H](Cl)[C@@]2(CC(/C=C/c3ccccc3Cl)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009717 YHXJVMSHLXOLLX-SXOVMZTOSA-N 585.494 5.826 50 1 KKGF O=C1[C@H](Cl)[C@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009721 AWPPQDWOZLAEGU-LSCLZPPHSA-N 557.078 5.235 50 1 KKGF CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCI)c1=O 29209534 ZZQGCBGAVCHNBM-UHFFFAOYSA-N 513.162 5.522 50 1 KKGF COc1ccc2cc([C@H](C)C(=O)OCC/C(SSCc3ccccc3)=C(\C)N(C)C=O)ccc2c1 73168734 NLWLNTUIJHCUQM-HPOSPOPRSA-N 509.693 6.787 50 1 KKGF O=C(Nc1ccc2c(c1)[C@@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 73198796 KILSXFIWEZXBMF-WQFCLJTNSA-N 617.787 5.491 50 1 KKGF N=C(N)c1ccc([C@H](NC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 95546274 HFTCHVWOKABTBT-KIVGIPMJSA-N 842.019 5.556 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C=O)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 169370162 RRXNGBYVIKSJGO-LDYLTCARSA-N 662.911 8.865 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 253635164 CUIGPZVXPKTCJE-GSMCXXRNSA-N 537.623 7.543 50 1 KKGF O=S(=O)(c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl)N1CCc2ccccc21 586956543 NNKYUJBNQHIADS-UHFFFAOYSA-N 614.843 8.055 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cc(Br)c4c(c3)OCCO4)nc2c1 587000696 JVCALWINZVHJHB-UPHRSURJSA-N 562.152 7.687 50 1 KKGF CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 587318666 JDNOHBNKGBWRDS-XWAAYZLDSA-N 806.330 5.255 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)ccc1Br 587320663 GGVRJNNDLVZOCU-LMSSTIIKSA-N 568.870 7.503 50 1 KKGF O=C(CCl)NCc1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587325348 XQXSTQRIZKPCLI-XCZPVHLTSA-N 584.825 6.045 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327672 QUEUMQUXQXMNLX-OFSOJUDTSA-N 527.935 5.556 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@@H]1c1ccc(F)cc1 587327770 HIINPKNVNMUCHH-ZEQKJWHPSA-N 533.905 5.472 50 1 KKGF O=C1C[C@@](CBr)(c2c(F)ccc(Br)c2Cl)Oc2c1ccc1c2CCCC1 587502290 DLXCWBUYOQMICS-HXUWFJFHSA-N 502.605 6.376 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2Br 587537184 BPBMSVXSVKAKBL-MZWFTGKCSA-N 522.233 5.687 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587671869 VLEWYWXIIPXCHP-CXAHNHKCSA-N 545.290 6.629 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23F)N1 587722410 YKCFFGMSCYLCCG-BRWSEWSVSA-N 624.994 5.904 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3Cc3nc4ccccc4n3Cc3cccc(F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587946797 XWESDQVAYTYLRL-JUXNFZQRSA-N 603.691 6.366 50 1 KKGF CC(C)[C@@H](Br)[C@@H]1c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962574894 QHIRMIHEKJWZQN-DGWZTRNLSA-N 535.438 5.803 50 1 KKGF CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)[C@]1(CCl)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963080076 RTYFXTNTHLHTRO-LEOJTTOYSA-N 944.419 6.061 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 963159749 RKFBYGJZWMNYGW-DTKZEWQESA-N 663.140 5.954 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1cc(Cl)c(C)cc1OC)N(C(=O)c1ccccc1N)CC2 963160780 TWBUHUJAHBOVCQ-MHZLTWQESA-N 559.888 5.593 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963841201 JKPPBUNMOPCCPZ-LHQXSENYSA-N 800.361 6.918 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5ccc(O)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 1772602362 ALJJHJFYOQGVOH-GTQRKIQBSA-N 573.734 5.678 50 1 KKGF O=C(O)c1ccc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1F 1857537945 WUQKPMADHDJIHI-UHFFFAOYSA-O 599.747 9.188 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)/C(C#N)=C/c5ccc(F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857573014 NFKWNWCCDHIODP-PYZHFFOYSA-N 681.845 8.836 50 1 KKGF C[C@@H](c1ccc(Cl)cc1)n1nnc2c1NC(=O)C[C@]21C(=O)N(CCCCCCCCBr)c2ccc(Cl)cc21 1857587174 SEOYLKVAZIJOJM-XDBZFTIUSA-N 619.391 6.905 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@@]21O 2356354693 OVOIZBXALGFDPS-YLVXIOHUSA-N 928.363 8.530 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(CCO)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)C5)c1O 2356356927 OKYYCYDLMBRMFX-XWIWBOPMSA-N 837.066 7.606 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@H]2O)O3)c1O 2356359536 MYXJGAGPAMHZKR-RYUDCZMJSA-N 781.002 7.831 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356361323 YVNFBYLROPRONE-AEFFXJELSA-N 873.147 8.668 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@H](O)CC[C@]4(C)[C@@H]5CCC[C@@H]5N5CC#CO[C@@]2(CCC2=CC(=O)OC2)[C@@]2(C)C#CC[C@@]6(C[C@H](Cc7ccccc7)CC[C@H]6CSSC[C@@H](Cc6ccccc6)C1)C(=O)O[C@@](C2)(N5)[C@@H]34 2356364782 YNFURLHUBWKBPM-YHKGEWCMSA-N 987.382 9.855 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](OCNCCCCO)CC(=O)CC2 2356389793 HOCYRXZLDCGFAN-FTJBHMTQSA-N 615.814 5.559 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356735798 ROXMFOMYRUUOPK-LDLPPCSGSA-N 917.336 10.751 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356769634 KATCNOIIRBNKPJ-UJDKTDDQSA-N 913.304 10.234 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1C1=CCN=C1 2356850958 QCIXJWUZQRCQNY-KSFPMNRTSA-N 901.137 6.297 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@@H](c2cccc(O)c2)SSC1 2356863637 VHHUEMMKDJEWCT-XZLWTWHHSA-N 580.772 5.831 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@@H](C2(c3ccccc3)CCCC2)SSC1 2356865380 WBSOPPUAHAQJRU-LYORWDPXSA-N 632.892 7.265 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](C1(n3ccnc3)CCCCC1)C1=CC2=CN[C@H]1N 2356867845 WWTAHCFPXHQMID-JZGAFALISA-N 660.906 6.789 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3cccc(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 26750571 LVNIVSXQDMREEM-KBUIRQJMSA-N 719.703 5.633 50 1 KKGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 72136418 KALZEDJUTMMCFB-WMLGBCHHSA-N 721.766 8.268 50 1 KKGF CN(C)c1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 98082871 MUESLDZSZOZVGG-WXMRUBEISA-N 546.647 5.194 50 1 KKGF COc1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 98082874 SJXCQVXZMWPZOE-GMBQTMSGSA-N 533.604 5.136 50 1 KKGF CCc1ccccc1/C=C/C[C@H](C)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@H]1C1=C[CH+]N=C1 150344279 TTWXBQBCGOAQOL-SIRJGTKISA-O 827.998 6.480 50 1 KKGF biogenic,in-vitro CCCNC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 299848720 VYOJHIHCFZNRRM-IRXVNADNSA-N 661.877 6.938 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C[C@@H]1COc2ccccc2O1 587328637 VHJGEXWUQMXDMS-PHPNVNJTSA-N 548.010 6.283 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 587538890 HBZYQFAVCNFJOA-IGKIAQTJSA-N 538.825 6.658 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544222 MQRBKWXPWRFWDY-GAAFNFKESA-N 733.641 7.406 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686596 DDETUWUSBWZOMQ-BUNUKWNGSA-N 532.837 5.874 50 1 KKGF COc1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1O 587787201 RLEIKOORLAUSOD-UHFFFAOYSA-N 521.305 8.031 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CCl)(c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962579046 ZOZWWPIAOJGKSB-MVSFAKPFSA-N 525.004 5.824 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962642010 OXINQDICYNICLY-PWGFHUTJSA-N 618.199 6.388 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(Cl)c1Cl 962675470 XBFGOMIHTIBUMV-DNQXCXABSA-N 586.335 5.072 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CCCCCCl)(c2cccnc2Cl)N1 962915719 AYGDGZQJOWAQHZ-OZXSUGGESA-N 501.410 5.875 50 1 KKGF COC(C)(C)[C@@]1(CCl)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963063990 AOXVJIYDCRXQNM-PZSMLTKBSA-N 706.128 7.502 50 1 KKGF O=C(OCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O 1772620237 JPJLINVFNXFPHW-UHFFFAOYSA-O 611.783 8.930 50 1 KKGF CCn1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21 1911584255 XPHLOCCIHAJNPE-AMVVHIIESA-N 529.666 5.509 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CC[C@@H]5C=C[C@@H]6CCCC7=C1[C@@H](C4=C5[C@@H]76)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356364522 XUEYWSMJYNTHHT-WOQFGXQASA-N 884.266 6.991 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCO)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356365793 RXYOMWGCEABMTL-FIMCAKNOSA-N 946.279 6.278 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@](NC(=N)NCCO)(CSS[C@@H]3CC[C@H]12)C4 2356374377 UUXFDLVJUADWSM-IZWFMUINSA-N 809.020 5.781 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)C[C@H](O)[C@H]1CCN 2356380389 DBZVUZYQGKMFLI-YDIIKLKBSA-N 760.072 5.115 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)CSSCCC[C@@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@H](NC1CCCCC1)CSSC2 2356602600 GEFOEAVVPZSQDR-PXOOTQBRSA-N 854.191 9.649 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@@]35C 2356778411 UNVLLHPALOESCX-MEHIALJMSA-N 848.181 7.165 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSC2(CCCCC2)C2=C(N)NCC=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@]2(C)C(=O)O[C@@H]1C3 2356827079 HNCGYBBFPHBQOW-IDNGJCNNSA-N 734.941 5.236 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@]1(C)O[C@H]1CCC1=C[C@@H](NC(N)=C1)C1=C[C@H](Cn3cc4cc[nH]c4c3)NC(N)=C1CSS2 2356829418 IYFAXPIGOVAGTL-DWEIYRMXSA-N 808.983 5.194 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCC3CC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145577 OELALEVVTMRZNB-HLUURGJWSA-N 545.764 7.159 50 1 KKGF OCc1cc(O)cc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)c1 43531842 IIDYACZCJXPIMQ-UHFFFAOYSA-N 528.480 6.268 50 1 KKGF c1ccc2c(c1)CN(CCCCCCNCCSSCCNCCCCCCN1CNc3ccccc3C1)CN2 44182296 GTCCNEDVZJXFAS-UHFFFAOYSA-N 584.944 6.438 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2cc(F)cc(F)c2)cc1)C(C)(C)C 49722785 QLAREOLVXSXWGS-IBHRRMRLSA-N 728.837 5.374 50 1 KKGF CCCCC[C@@H](C[C@@H](CCc1cc(OC)c(O)c2c1CSSCNc1cc(ccn1)C2)OC(C)=O)OC(C)=O 85629467 PHDUFYZRSJDTLI-BJKOFHAPSA-N 576.781 6.417 50 1 KKGF biogenic,in-vitro CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 96085353 JTJHSEFMUWUYLU-KXSKSBKOSA-N 584.389 7.114 50 1 KKGF in-vitro COc1ccccc1OC(=O)[C@@H](C)Oc1ccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 103181955 ZYFZPYIXAPQMBK-KBPGCEHWSA-N 554.636 5.655 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@H](CCCO)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 150347680 IIFXRPBICSMTJQ-AMIJRARESA-N 903.173 7.983 50 1 KKGF biogenic,in-vitro COc1cc(/C=C\c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2O[Si](C)(C)C(C)(C)C)cc2c1OCO2 194822080 QQEGUSVVLAJKRD-YPKPFQOOSA-N 544.837 8.371 50 1 KKGF COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CC[C@@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 195461241 UTSZXQPSRBHBFS-MOHBIOJGSA-N 713.054 10.448 50 1 KKGF C=CCO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 195505879 BDKQSXIIYZQXSP-XJZSZEIDSA-N 604.860 7.692 50 1 KKGF CC(C)(C)N1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 207730734 QMASBPPNEAZIMQ-LODUGJCVSA-N 665.818 5.815 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2scc(Br)c2Br)[C@@H]1c1ccc(F)cc1 587376151 OUEQGRWXKYGNPV-UZLBHIALSA-N 591.090 6.767 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 587541857 DNOYOTKYAHYDLF-IGKIAQTJSA-N 528.819 7.202 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)[C@H](Br)c2ccccc2)N1 587669867 GMRGSYYSEZJZCE-SQIKNUFHSA-N 582.149 7.266 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)c(C)c3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1C 962938480 WRRYWTQOEBRWEW-NJQSJPASSA-N 745.066 7.422 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)NC[C@H]2CC(=O)N(C)c3cccc1c32 963030388 QRYSTYMPNOXLFO-IXLXJOPFSA-N 536.226 6.333 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 963613778 VZTJOSFOAMCBTK-JEOXALJRSA-N 512.288 5.914 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCn3nncc3-c3ccc(Br)c(Br)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772644478 TYQLVWOOPWVZBJ-GKGXRZOMSA-N 613.347 5.695 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@H](C)NC(=O)[C@@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911584345 IIBUOWGJBQBGCM-YHAMSUFESA-N 631.540 5.006 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C6CCCCC6)CSSCNc6cc(ccn6)[C@@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356321357 ISUZQWDVJDGTAT-OBEHEZJFSA-N 753.987 8.152 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356375665 HXDBAEKDDTZJNV-GDWGLVHGSA-N 825.235 8.625 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]21O)[C@@]3(C)[C@@]12C[C@@H]3Cc5cccc(c5)N[C@H]5[C@H](CCC[C@H]5O)SSC[C@@H]3[C@@H]1CC[C@H]4C2 2356447411 RHYBHVMADOEPMX-JHBACPDISA-N 623.925 6.851 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@]2(C)C(=C(C)CC[C@@H]2Br)Cc2cc(ccc2O)C(=O)O1 2356657227 ZDRFGYGMJGENEX-PJTAAJMISA-N 584.389 7.005 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3CCOc4c(O)ccc2c43)CCNCC1)[C@@H]1CC[C@H](O)[C@@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 2356673101 BRFRPCHSAOUQDX-RQBCIJKUSA-N 916.301 7.656 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356772996 NVIGVSVOWJJEDT-SOMWJEEWSA-N 960.306 6.669 50 1 KKGF N#C/C(C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1\SC=C(c2ccccc2)N1c1ccccc1 49777280 VKUJUKUTNQZHLT-ZGIGEKAVSA-N 592.680 5.897 50 1 KKGF Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1NC(=O)Nc1ccc(N(CCCl)CCCl)cc1 49881480 AIXRTQCYKKRDNS-UHFFFAOYSA-N 558.513 8.368 50 1 KKGF CC[C@H]1CCC[C@]12CC[C@@H](Oc1cc3c(cc1O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc1cc(OC)c(O)c(OCO)c1)[C@H](O)C[C@@H](OCO)CC3)C2 85595589 JPQDWGWTKYSXHG-GIBPAQBYSA-N 752.989 5.620 50 1 KKGF biogenic,in-vitro CCCC[C@H]1[C@@H](OC(C)=O)CC(=O)C[C@H](c2cc(O)c(O)c(OC)c2)C2(CCCC2)SSC[C@@H]1C1=C[CH+]N=C1 85624560 HNSYDNZVOVLLNI-BGBNXGLDSA-O 574.785 6.774 50 1 KKGF biogenic,in-vitro CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@@H]4C[C@H]5[C@@H]6C(O)=C[C@@H](OC)[C@]6(O)[C@]4(C)[C@]53C)C[C@H]1C2 103575136 CDIOGMDSMNATON-JHTJOLCESA-N 599.903 6.634 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169361726 SBWFAIGFKMBQFX-QOCPYMIKSA-N 798.421 5.306 50 1 KKGF CC(C)(C)[Si](C)(C)Oc1ccc(C2=C3OCOC3=C(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)C(=O)C2=O)cc1 196992441 UTRGLMUGDWSTTH-UHFFFAOYSA-N 564.827 7.733 50 1 KKGF COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1CCC(Cl)CC1 205012918 ROJRLHPCBOZKAV-GIGWZHCTSA-N 619.141 5.074 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(OCC)c1)C(=O)Nc1ccc(C)cc1-2 253638899 AWNGMHPZGRVNBX-LJQANCHMSA-N 551.307 7.268 50 1 KKGF 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](NC(=O)CCCC[C@H]3CCSS3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 299811147 HCPJZDPBAYDCJR-NXZPYUDCSA-N 910.246 5.228 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3csc(-c4ccc5c(c4)OCCO5)n3)nc2c1 587019387 ZQITYSRCPMYMQT-UHFFFAOYSA-N 554.360 7.468 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)NN)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191138 PIYQGBQNRRQJAB-UATTUGJOSA-N 619.807 5.198 50 1 KKGF CC(=O)O[C@]1([C@@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587285073 NVZCSVXQQQUQBJ-YOBDYSHWSA-N 869.788 5.296 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(C(F)(F)F)c1F 587543500 CHTLRJNNTLJKFG-UTKZUKDTSA-N 515.228 5.941 50 1 KKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587844228 KZCDEWSCXYSJDB-SHACYNPGSA-N 507.900 6.734 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587855094 FSULGPSJWFTCPG-KUNJGFBQSA-N 577.947 6.541 50 1 KKGF Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 587944165 ZDIXWQHWRDZHHX-CDUXAGTGSA-N 597.434 5.888 50 1 KKGF COc1cc2c(cc1OC)[C@](C)(c1cccc(NC(=O)CCl)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673860 FDSDYVPVMJKCNZ-MHZLTWQESA-N 546.973 5.862 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c15 962974677 KYGUCSOLNZMYCX-WYJNDYKBSA-N 696.590 6.558 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 963169118 HAROLYIYFNKIFM-AUUYWEPGSA-N 539.263 5.040 50 1 KKGF CC[C@@H](Br)[C@@]1(c2ccccn2)c2ccccc2C[C@@H](C(=O)NC)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963928891 QAXVSLCLYLIHOK-GBWGZNRXSA-N 687.726 5.636 50 1 KKGF O=C1/C(=C/c2ccc(S(F)(F)(F)(F)F)cc2)CCC/C1=C\c1ccc(S(F)(F)(F)(F)F)cc1 1772610342 GKAZLAVJJMPWTP-UNZYHPAISA-N 526.461 10.221 50 1 KKGF CCCCOC(=O)[C@H](NC(=O)OC(C)(C)C)c1cn(Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N(CCCl)CCCl)c2ccccc12 1857589134 TYUYGVLMVBJGAM-WJOKGBTCSA-N 702.529 7.182 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)CBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857763585 ZHRAIXRCSCHOKT-QOMFFSOSSA-N 684.594 8.889 50 1 KKGF COc1ccc(-c2cc(-c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)n[nH]2)cc1 1857764306 MJJPWGQHMXLESE-CVJZVHELSA-N 532.637 6.339 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)c2c(c1O)Cc1cccc(c1)[C@H]1NCCC[C@@H]1SSC2 2356291737 CVVMCWXOZAPTBD-LTAJIUESSA-N 934.236 11.061 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCO)CSSCO4)[C@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356352826 CEDKDQGGHXWARL-LUDOYRDQSA-N 786.962 5.115 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C6CC[C@@H]7CCCC[C@@H]7[C@@H]6C[C@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356421970 AOBNCXOAARGXAU-QFDXKNCHSA-N 979.278 9.004 50 1 KKGF C[C@@H]1CC=C[C@]2(CCC[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CC[C@H]([C@@H](C)O)CSSC[C@@H](C4)C[C@H]32)C1 2356436035 YFFVNYGARYVPCC-RZEAVBGDSA-N 590.939 9.265 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 2356515748 XZYMMLQWYKZGCV-FROVXTLLSA-N 540.785 6.140 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@@]2(n3ccnc3)CCC3(CCCC3)C2)SSC1 2356811579 BPODPCJYUWYCOD-AYBBNPDOSA-N 676.949 7.089 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(C[C@H]([C@H]3CNC(=O)C3)CC[C@H]1CNC1CCCCC1)O2 2356812176 BSKMDYANXNNYHA-ATDQALTLSA-N 979.137 5.014 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@H](O)[C@@H]3C[C@@H]1CC[C@H](C3)C2 2356853652 RIEAKGDHUILAGS-RQCRYORBSA-N 802.116 6.018 50 1 KKGF Nc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 1859940 ARHBFRMLLOEANX-IBGZPJMESA-N 535.003 6.885 50 1 KKGF C=CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802417 WLPXWJSIOHWSGG-VNRABVQOSA-N 502.514 5.487 50 1 KKGF C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 49889463 PVRASDIDTPIMMD-CZNDPXEESA-N 608.728 6.547 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 95544692 LWTYDGJEOHWGQD-YLLCFIMHSA-N 822.944 6.202 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccc(Cl)cc2)c1 103184453 NRKQHZGUKJFYBA-PKTZIBPZSA-N 587.257 6.299 50 1 KKGF CO[C@@H]1C=C(O)[C@H]2[C@@H]3C[C@H]4CC[C@]5(C[C@H]6CSSC[C@@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@]3(C)[C@@]4(C)[C@@]12O 103575185 YOJJLWYJQIKEPC-NTKYCRMTSA-N 571.849 6.072 50 1 KKGF biogenic,in-vitro CN(C(=O)[C@H](Br)CBr)c1ccc2c(O)c(/N=N/c3cc(NC(=O)[C@H](Br)CBr)ccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1 150345341 VQHZGUHJQQJQMU-XCADSGHFSA-N 880.182 5.672 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 169313913 NYZKUKCTBCLVRV-JPXXDDFWSA-N 566.842 10.004 50 1 KKGF COc1cc2c(cc1OC)CN(CCCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(OC)c(O[Si](C)(C)C(C)(C)C)c1)CC2 195121904 HLNIOOJDJBUTJS-DIPNUNPCSA-N 650.014 10.247 50 1 KKGF CCO[C@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@H]1C(=O)[C@]3(C/C=C(/C)C=O)OC2(C)C)OC(C)(C)C=C4 257445350 IKFKEJSONUWRCD-JGCIOZKWSA-N 590.713 5.722 50 1 KKGF endogenous,in-man CC1(C)[C@H]2CC[C@]3(C)[C@H](CC[C@@H]4[C@H]5[C@H]([C@@](C)(Br)CBr)CC[C@]5(C(=O)O)CC[C@]43C)[C@@]2(C)C[C@H](Br)[C@@H]1O 299810185 MHAIPDFRQVBADK-CSHBIIKASA-N 695.415 8.435 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@H](Br)C(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299857667 OODANQPQZXGRND-YARFEMAESA-N 603.726 9.174 50 1 KKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccnc4cc(Cl)ccc34)c(-c3ccc(Cl)cc3)c2C)ccc1O 473086347 BMYXFIAJLAUAED-VWJSQJICSA-N 546.414 6.181 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322184 GMMLOJSCJWUNDQ-LHHUKBANSA-N 565.523 8.398 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)CC(=O)c3cc(C)cc(N)c3O1)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587413996 UYZNPLFSYYXZAV-AUKUPKBOSA-N 914.143 6.511 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1scc(Br)c1Br)CC2=O 587491135 JHXCVALXWZCHNA-KRWDZBQOSA-N 539.083 6.187 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)c2ccc(F)cc2)N1 587733624 RJVBUCVZRCWAGW-YQQIJLMBSA-N 508.765 6.135 50 1 KKGF CC(C)[C@H](Br)[C@@H]1c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962574898 QHIRMIHEKJWZQN-RMTZWNOUSA-N 535.438 5.803 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CCCCCCl)c1ccccc1F 963079933 SSQMDYDSEGIYDA-SAGWHXFDSA-N 559.078 6.347 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)c3scnc3C[C@@H](C(=O)O)N5C(=O)OC(C)(C)C)[C@@H]2C1 963151589 XBXSLBGYMGZCKZ-OPGGWPOLSA-N 647.209 6.121 50 1 KKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)C1CCN(C(=O)OC(C)(C)C)CC1 963290741 YDVFUNQDIFZYLP-OAQYLSRUSA-N 502.291 5.174 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CCl)C(C)(C)N3C(=O)c4ccccc4C3=O)nc(Cl)nc21 963927731 CWQIVJDNMHBFMS-LJAQVGFWSA-N 579.488 5.338 50 1 KKGF 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CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 587692781 LQMCFUMFLWHZGV-MDIGCVMUSA-N 669.459 6.499 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 587711247 JAFFJJQYVDVDJF-VVVCHXIZSA-N 515.570 6.433 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23F)N1 587717733 MGJACKSQQJEOIO-RLDWXEPHSA-N 624.994 5.904 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 587738368 NTPMEIAGUXBDPB-IWAYBZMOSA-N 729.340 6.443 50 1 KKGF COc1cc(/C=C2\CCC/C(=C\c3ccc(OCCCN4CCN(C)CC4)c(OC)c3)C2=O)ccc1OCCCBr 653760947 QPGIDFVSZCCTFV-GPAWKIAZSA-N 627.620 6.104 50 1 KKGF CC1(C)C([C@@]2(c3cn(CCCCCCl)c4ccccc34)NC3(CC3)Cc3ccc(Br)cc32)C1(C)C 961613942 IZDFWNJIBRLWGW-WJOKGBTCSA-N 554.016 8.417 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c(Cl)c1Cl 962675479 XBFGOMIHTIBUMV-ZEQRLZLVSA-N 586.335 5.072 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](CBr)([C@H]1Cc3ccccc31)N2C(=O)OC(C)(C)C 962707972 LSVBMBZTVZDZTJ-KWTBFXGESA-N 530.434 5.407 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2c(Cl)cccc2Cl)(C(Cl)Cl)N1C(=O)c1ccc(Cl)cc1 963012110 ILHILUULMPZVHY-FNZWTVRRSA-N 582.698 7.327 50 1 KKGF Cc1onc(-c2ccc(F)cc2)c1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963028642 XTVUOTJQAOPNHJ-AYWVHJORSA-N 622.878 6.714 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(C)c1cccc(S(F)(F)(F)(F)F)c1 963059248 BUHBTVDMZTZHHX-WOVHNISZSA-N 576.584 7.086 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)c1c(F)cccc1C[C@H]1CCCN13 963095930 DIWXYMOJZPEUTP-XTZJZGGESA-N 666.922 8.865 50 1 KKGF Cc1onc(-c2ccc(Cl)cc2)c1[C@@]1(CBr)c2cccc(Br)c2CCN1C 963290508 XMFYKBDSDDEZGT-OAQYLSRUSA-N 510.657 6.192 50 1 KKGF COc1ccc2c(c1)[C@H]([C@H](O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(C)=O)[C@H](O)CO[Si](C)(C)C(C)(C)C)N(Cc1ccc(F)cc1)CC2 963305485 XYZWIJNXGQIEIB-BGSSSCFASA-N 692.030 6.999 50 1 KKGF O=C1C=C(O)C=CC1=C(O)CCCCCCCCCCCCCCC[P+](c1cccc2ccccc12)(c1cccc2ccccc12)c1cccc2ccccc12 1857578960 PCDGNTFURKRFMT-UHFFFAOYSA-O 759.991 13.294 50 1 KKGF Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccc(N3CCN(C)CC3)cc2)[nH]c1=Nc1ccccc1NC(=O)CCl 1857614293 RLPWABGXIQLSMF-UHFFFAOYSA-N 619.557 5.529 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3C=C[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356300460 MPUJBQIZZXBFMX-ATKDQSSYSA-N 929.307 9.031 50 1 KKGF CCCCC[C@H](O)[C@@H]1C[C@@H]2CN(CCCOC)CC[C@@H]2[C@](O)([C@@H]2Cc3c(c(CO)c4c5c3OC[C@H](CO)CCc3cc6[nH]ccc6cc3[C@H]3CC(=C5C(C=O)=C(C(=O)OCC)O4)C[C@@H](CO)C3=O)O2)C1 2356350134 VNIDVRYUYQZTAQ-JNNZUPNDSA-N 969.182 5.871 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)CNCC 2356350517 DQQRFSUSJZEJHV-BAKDPANISA-N 666.988 6.120 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@@]21O 2356352859 CNSRQYAMZJJCGD-SQXAKFJPSA-N 982.455 9.700 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OCCCO)C3)c2)N1 2356368443 PJXCMBHIQZLBRQ-JNZGGHGCSA-N 787.058 5.778 50 1 KKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@]1(C)CCc2cc(OOc3cc(C)c4c(c3)CC[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O4)cc(C)c2O1 2356586055 KLUVLOVWHKMXTO-RDTHBMROSA-N 791.214 16.242 50 1 KKGF C[C@@H]1C[C@H](C(=O)OC(=O)c2ccccc2)[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C 2356586591 HBEBCPGUWLUVFW-LKZAWLGDSA-N 664.927 10.109 50 1 KKGF CC[C@@H](C=C[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]5O[Si](C)(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356653514 FUWBZRNBUHDSFT-RDSOWFLBSA-N 863.575 13.062 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356763210 AZZSWXNOPOAGTH-UOEFQLEMSA-N 913.294 7.849 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@H]41 2356775425 LHYVXSQHIWBARK-KWXJVHKNSA-N 918.280 5.862 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C[C@H]4SS[C@]5(CCCC6(CCCC6)C5)[C@@H](CC[C@H](C)CCC[C@H](O)[C@@]4(O1)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@H]4[C@@]3(O)[C@@H]1O)NCCO2 2356778558 XZGZGGPHDYXXHG-BXITZMBVSA-N 940.231 6.276 50 1 KKGF COOC[C@]1(C(=O)OC)C[C@H](c2ccc(OC)cc2)N(Cc2ccccc2OC)[C@@H]1c1ccccc1C 95568577 WAQGQVUPSBQIMP-YQKLYGQBSA-N 505.611 5.438 50 3 KKGF CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)C(C)(C)C 28656254 CENMSNFMZUNZCJ-BAHLOZKOSA-N 573.111 9.225 50 1 KKGF CC(C)C(/C=C/c1ccc(Cl)c(Cl)c1)=N\NC(=O)N/N=C(/C=C/c1ccc(Cl)c(Cl)c1)C(C)C 73257463 HPEDTLWUJMVBLM-KQXHLETHSA-N 540.322 8.350 50 1 KKGF BrCCCCCOc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br 84757435 YOWUEYHGXSLPMT-UHFFFAOYSA-N 650.825 8.473 50 1 KKGF COc1ccc(NC(=O)CSC(=O)c2ccccc2)c(SCCSSCCSc2cc(OC)ccc2NC(=O)CSC(=O)c2ccccc2)c1 95550036 LSYSTZFQOSIIIY-UHFFFAOYSA-N 785.094 8.994 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)Nc2cc(-c3ccc(Cl)cc3)nn2C(N)=C1C#N 103950441 RXMOEJQNHBSCMI-QGZVFWFLSA-N 525.802 5.440 50 1 KKGF CCNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@H]1C)OO2 169297810 OEIYREHGGKGWIL-VMSJCOHBSA-N 661.877 6.794 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169356755 ORSKCTIDJPPMJJ-ZYLHFPBBSA-N 898.538 6.320 50 1 KKGF COC(=O)c1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C\C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 169361903 CDKCXUBFGLGPCW-GIWQJWIQSA-N 763.712 5.112 50 1 KKGF C=C(c1ccc(OC[C@@H](O)COc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 299809090 YRPYKRNVNZETQA-ZTEYTBDYSA-N 712.880 7.531 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 299825981 MNIBGMCDNUOAKK-FGZHOGPDSA-N 602.740 5.175 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(F)(F)(F)(F)F)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O 586906236 CYYLKJHVIBJAEW-OIPFKYEESA-N 662.718 6.618 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)[nH]c2c1 587077823 YKIBJUVSVIZSHP-SSZFMOIBSA-N 533.953 9.576 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587327712 HDNRJAXCKBXERS-IRLDBZIGSA-N 563.263 7.218 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccc2c(c1)OCO2 587328555 VBXKDKVPFBBQDS-DGPALRBDSA-N 533.983 6.220 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(Br)c1Cl 587555012 KGIPQMYJCOERLA-DYESRHJHSA-N 542.582 6.199 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587672651 GVYWCBKILKJHMR-BUXKBTBVSA-N 520.078 6.140 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 587685894 UMKDPJVDIKMWJC-RBSBEOHCSA-N 534.856 7.460 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 587838669 DHEWOCKPWSEYBD-HJPURHCSSA-N 574.354 5.326 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1csc(C(=O)CBr)c1Br 587896564 OPFNVIVRZNQHIZ-UHFFFAOYSA-N 524.061 5.105 50 1 KKGF CC[C@H](C)[C@@]1(CBr)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 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919.131 5.922 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCCO)(CSSCO4)[C@@H]85)C[C@]4(CCC[C@]45CCC4(CCCC4)C5)C[C@@H]7NN6)[C@@H](O)[C@@H]3O)c2c1O 2356364205 QFEBKZMMCWPEKY-FMLCQQIRSA-N 997.283 6.878 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356370050 MAXYPJDNACDEOB-ASWDJYFTSA-N 843.253 9.431 50 1 KKGF C=C1C[C@@]23C[C@@]1(O[Si](C)(C)C)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(CC[C@@H]1O[Si](C)(C)C)[C@@H]2[C@@H]3C(=O)OC 2356375452 CZJKUGIUTGPWAY-ORNIIVMESA-N 506.788 5.058 50 1 KKGF CNCc1cc(O)cc([C@@H](NC)O[C@@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSSC3CCC2CC3)c1 2356504730 CSZLGNHMVQZRMO-RILAHGTGSA-N 702.939 8.001 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@@H]5C[C@]67CCC[C@]6(C[C@@H]5[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4)C[C@](O)(CO)CC7 2356564648 WNKDLTHWOVDVNO-PVJQGYPOSA-N 998.321 8.850 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](N=NN)[C@H](C)C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC 2356820263 CSHSIRBPBCUSNC-GWONUTBPSA-N 788.273 9.800 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356829364 IXRSIWAVHKHRSU-ROXHGRDNSA-N 879.247 7.448 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@]4(C#C[C@@H]3C=C12)C[C@H](c1ccccc1)CC[C@@H]4CO 2356841916 MJJLMSNBCORCOK-NPHCZZQTSA-N 950.321 7.871 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356852536 QQOULNVXAZYUHE-BRJOBJSRSA-N 971.164 5.841 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](Cn1ccnc1)C1=CC2=CN[C@H]1N 2356862095 UWUPVSIDSSOCIC-JHZIRUAVSA-N 592.787 5.129 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)C[C@H](NC[C@H](C)O)C[C@@H](CC45CCCC5)[C@H]3O)C=C12 2356866855 WIAHONLAPRPQTP-DYAWNJRCSA-N 957.357 6.844 50 1 KKGF CCCCCC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CCCCCC)NC(=O)c1ccccc1 36176460 KJWGUGYELVNALG-RNPORBBMSA-N 592.821 7.647 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)C5(CCCCC5)SSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 85569313 XXGRTYDCFJVJGI-JSWXEYCZSA-N 736.949 8.199 50 1 KKGF biogenic,in-vitro Cc1cc(S(=O)(=O)C2=N[C@H](Nc3ccccc3)NN2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)C2=N[C@H](Nc3ccccc3)NN2)cc1Cl 95614578 KAYDLINYSBIPRY-NSOVKSMOSA-N 763.780 5.676 50 1 KKGF C=C1CCC(C)=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@](C)(O)[C@H](Br)CC[C@@H]12 138609322 LWYZNBXETNJHDW-YQJHKJFNSA-N 521.492 5.602 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@H]1C)OO2 139120126 ZNVVWMNCRFBNDN-WRGQEQGZSA-N 648.834 6.831 50 1 KKGF CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1)OC(=O)N(CCCl)CCCl 150530599 PHMVJSWULBLUSV-NPFOOQJASA-N 835.139 14.872 50 1 KKGF COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4cc(OC)ncn4)cc3)cc2)ncn1 150626770 KEAKSLMRNYLAMZ-UHFFFAOYSA-N 830.952 6.189 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC#Cc3ccc(C#CCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)s3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309805 BRQITTUCMVZAAI-FBTODWDMSA-N 724.913 6.900 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O[C@@H]6O[C@@H]7O[C@@]8(C)CC[C@H]9[C@H](C)CC[C@@H]([C@H]6C)[C@]97OO8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299811827 PRZSJXCCRCGUIS-AQXKIULISA-N 851.175 10.650 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587069650 FVUHNCIXXAXMSU-TWGQIWQCSA-N 565.789 9.386 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CBr)cc2)[C@H]1c1ccc(F)cc1 587324392 YIVBJCDQXLCOGP-XTEPFMGCSA-N 503.367 6.729 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Br)ccc1F 587555690 HMICYKMTLIXRAM-GHTZIAJQSA-N 508.137 5.546 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566994 DBOPOGGHOFMORN-LSYYVWMOSA-N 538.358 6.267 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587688671 MZBRZJNPEWXCCX-ODKGLIOUSA-N 500.839 6.473 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 587715243 XMAMXHLDWXIQTG-XLFHBGCDSA-N 560.021 6.542 50 1 KKGF Cc1cc(C)c(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccc(Oc3ccccc3)cc2)c(C)c1 653790481 KFIGDGKQBFDDTN-UHFFFAOYSA-N 502.592 6.621 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)N(C)[C@H](C)C2 962627181 KZWITKVGINCTOK-DXPJPUQTSA-N 506.996 6.489 50 1 KKGF O=Cc1cc([C@]2(CBr)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 963032238 HMUGCERWQOKAFH-ZORMNXRFSA-N 648.456 6.382 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2cccc3c2OCCO3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079378 KGHIJCAHAMVRNB-PDGFCRNHSA-N 812.606 8.053 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(O)c(C)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808575 RNUHLABXDRXSCK-GDLZYMKVSA-N 563.448 5.105 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948298 RXEHQZUXHDLCGX-ZIDGBHDGSA-N 710.240 6.072 50 1 KKGF CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1857626975 FSAFQWKCRDKTMC-CMAHPXTCSA-N 942.076 5.026 50 1 KKGF O=C(NNC(=S)Nc1ccc(Cl)cc1)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 1911571195 WCKKQGVCGSAJTL-UHFFFAOYSA-N 550.087 7.114 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911574897 KABLQVQLAZFYCO-ABYGYWHVSA-N 673.621 6.032 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC)[C@@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356308387 PUMLRJLEIVTIEX-ZVSJTCODSA-N 632.717 5.416 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@@]34CC[C@H]5C[C@H]6[C@@H]7C(=O)C[C@H](OC)[C@]7(O)[C@@]5(CC=C[C@@H]3[C@@H]1C2)[C@]64C 2356316500 RCUQCPOVDGARAL-ZVBUZLNISA-N 623.925 6.318 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356360891 QUVSERCSZMCZJX-LFNHGODJSA-N 988.282 8.286 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@@H](SSC4)[C@@H](C3)C[C@H]12 2356364091 PVQUNZQBGXLOBG-VKBGMGGTSA-N 642.031 10.517 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356366744 PLDLFCJJLLMGTO-XMCSQPGXSA-N 748.115 5.497 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356400686 HCBUFFYTWAZLRV-AARCELDWSA-N 955.345 9.249 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356435038 PEGCHNAPBMVFEK-BCSVYNRVSA-N 859.202 6.679 50 1 KKGF N[C@@H]1NC[C@@]23CC[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C[C@H](C6CCCCC6)C[C@@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356606163 GEUNEKQWQQZVKQ-WBWBGRAWSA-N 955.256 8.838 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC4CCCC4)C3)c2)N1 2356735441 YFRNFMMGUABSCI-RVVPKPSBSA-N 851.189 8.607 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356740579 TVIHWJYNGLYMIW-QKTCXRFVSA-N 887.174 8.885 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356823612 GFUXVTNHSPSFTC-GDVREHPHSA-N 816.079 5.959 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356835634 KTQCMUKAFVVATP-VLGFILJHSA-N 896.053 6.383 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@]1(CN3C=CNC3)CCNc3ncc2cc31 2356874645 YXPGSBJRZKZRBP-NLSZMFHASA-N 618.825 5.954 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4cc(CCCO)ccc4[C@@H](CCc4ccccc4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@@H]5C[C@H](O)CC[C@]54C)[C@@H]3CC[C@H]21 2356876282 ZJDJMUAMRIKORV-FQSPUVNASA-N 788.217 8.901 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3cccc(C(=O)O)c3)c3ccccc3n2C)c(C(=O)Nc2cccc(C(=O)O)c2)c2ccccc21 27727449 JPAWWDLYFWRPSM-UHFFFAOYSA-N 650.738 7.370 50 1 KKGF O=C1Nc2cccnc2N(C(=O)CN2CCN(CCCCCCCCCNC(=S)Nc3cccc(N=C=S)c3)CC2)c2ccccc21 27983901 YHMDNRUHVULUDW-UHFFFAOYSA-N 670.909 6.381 50 1 KKGF O=C(Nc1cc(CO)cc(Nc2c3ccccc3nc3ccccc23)c1)Oc1ccc(N(CCCl)CCCl)cc1 43208638 WAXQOARUCAATOT-UHFFFAOYSA-N 575.496 7.519 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 44431482 QMRLUDGWTOEVNV-HOFKKMOUSA-N 585.034 5.071 50 1 KKGF CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1CCCI 64528504 UAJOXIQSIDGCQQ-UHFFFAOYSA-N 510.376 5.257 50 1 KKGF ClCCCCCc1c2nc(c(CCCCCCl)c3ccc([nH]3)c(CCCCCCl)c3nc(c(CCCCCCl)c4ccc1[nH]4)C=C3)C=C2 82182227 MXXHTXWDOPNDNW-UHFFFAOYSA-N 728.680 12.462 50 1 KKGF C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 85544507 XRKSHLBMQQSJSI-SGVFWCNHSA-N 554.768 5.009 50 1 KKGF biogenic,in-vitro COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(OCc2cnc(Cl)s2)cc1)C(C)(C)C 95541630 NHJQEOOHAHPQLQ-QKKKBVRASA-N 778.372 5.508 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C=C(C)N(c2cc(Cl)ccc2Cl)C(N)=C1C#N 103950520 ZLWGPCKBGZSFMI-QGZVFWFLSA-N 534.249 6.819 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)N[C@@H]3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4Cl)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312592 RKVLRJICKJQWIM-PXSOTLPJSA-N 732.202 5.053 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195484872 STPFNZPGQPDBNI-FCJDFRRUSA-N 586.011 6.526 50 1 KKGF COc1ccccc1[P+](Cc1ccc(C(=O)c2ccc(C[P+](c3ccccc3)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1)c1ccccc1OC 195521954 WVZWESBMNZMZNO-UHFFFAOYSA-N 852.948 9.940 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)([C@@H]2C1)N(CCc1ccccc1)C3=O 473124154 NHEUTENGIROBBD-OIYVTEGGSA-N 592.824 7.413 50 1 KKGF O=C(Nc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 587245375 VCOIJFNOGSPNER-UHFFFAOYSA-N 571.571 9.172 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2I)[C@H]1c1ccc(F)cc1 587340552 VERUVAAUXUYAKL-RBBKRZOGSA-N 632.061 6.548 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 587498857 PYOVQOCVGQOQNA-DOPROROTSA-N 627.605 6.450 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)C(Br)Br 587538341 PFYAENJTZHQRCS-DYESRHJHSA-N 535.144 5.273 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1ccccc1 587546207 UYASOTUNDVJHBR-RBJSKKJNSA-N 502.954 5.290 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(CBr)c(Br)cc1CBr 587874932 KGUFURVKVOPYPU-UHFFFAOYSA-N 582.945 6.256 50 1 KKGF COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@H](C)CCCC(C)C)cc1CBr 587875440 TVUNSLMCCCHNEF-JOCHJYFZSA-N 611.448 8.033 50 1 KKGF COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 587940190 NHHKDFDLACAJPF-FNLMIIKUSA-N 752.224 6.043 50 1 KKGF NC1=C(C=O)[C@@]2(c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Br)ccc2O1 963094236 LLECHGUPHMFLLM-MLZZNZMKSA-N 657.564 6.758 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2ccc(C#N)cc2)N1 963173163 PDUFKCZRRIEUPO-JUKUECOXSA-N 643.585 6.477 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857616226 ZQNKUBXHTYEDNG-OLEUOVMLSA-N 570.843 5.992 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccc(Cl)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857620422 SYPVMIOWVQGKBR-RAGBQYPUSA-N 616.914 6.056 50 1 KKGF COc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@@H]1CCO 2356357964 WBXVEHWFZSJIOW-LIFUSRFLSA-N 596.723 6.021 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3CCC[C@@H](CC[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@H]4CO)[C@H]1[C@H](O)[C@H]2O6)C3 2356367237 YWODMNGWCIRMKY-HGWZZSPXSA-N 732.917 6.567 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@@]34C)[C@@H](O)CC1=C1CCCC2(CCCC2)C1 2356374283 RQCHEVOPAHJRPM-YIQCODJSSA-N 807.220 9.265 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C[C@H]6CC=C5C5(CCCCC5)SSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 2356374470 XHVFMQNJUVKUMR-FVPSJWBOSA-N 951.304 10.475 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356473146 UYKSHHNEEPZUPQ-CFURNOOISA-N 974.388 7.081 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356775498 NQDXHZIPWLTPDF-DPOYTLQOSA-N 855.214 7.506 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@H](C)O)C1 2356835950 KVTIIJHSBZUYEK-QVNHDGQDSA-N 877.227 5.284 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4CC5=C[C@@H]6C7(CCCC7)CC[C@@]6(C[C@@]6(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]6O)C3=CCNC(=C53)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356864610 VXBGIUBMTYLLNL-RNBYNOESSA-N 881.082 5.077 50 1 KKGF CCCC[C@@H](C(=O)O)N1C(=O)[C@H](CC(=O)NNc2ccccc2)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 27759465 CXIQAHVMKNGONG-WAKHXKBOSA-N 589.758 6.896 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 27768313 IREWFSHSPSQGJH-PVTPYKNESA-N 590.746 5.445 50 1 KKGF Cc1c(C(=O)N/N=C/c2ccc3ccccc3c2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28352814 VEMDNXQAHCWZET-HNSNBQBZSA-N 534.583 5.627 50 1 KKGF Brc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1Br 29396924 WMMSEFJGFIYNRC-UHFFFAOYSA-N 688.684 7.772 50 1 KKGF CC(C)c1cccc(C(C)C)c1NC(=O)NNC(=O)c1ccc(CCN2CCC(c3nc(COCC(F)(F)F)c(-c4ccc(F)cc4)o3)CC2)cc1 49605371 LCSCDWDQKUBTLK-UHFFFAOYSA-N 723.812 8.695 50 1 KKGF C[C@H](CCC(=O)N/N=C/c1ccc(Br)cc1)[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 49802995 PONYUGSWXDTKFZ-PETHVLMXSA-N 589.615 5.277 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCCNC(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 49932129 UCSGLPZHZMICOV-XZSVDJOMSA-N 661.877 6.554 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4ccccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84706069 GZCYAANKXCQBTC-DEOSSOPVSA-N 500.002 5.660 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 96283558 MAKHZLGREYUPTH-JEPNHJGPSA-N 591.615 5.571 50 1 KKGF CC(=O)O[C@H]1C[C@@H](O)CCCCCCSSCN/C(N)=N/CC[C@H]2CC(=O)N3Cc4cc(cc(OC5CCCC5)c4O)C[C@H]1CC#C[C@H](CC(C)C)[C@@H]23 150348728 PMRQFMNOXMQVOT-VTNVDJJUSA-N 771.103 6.939 50 1 KKGF biogenic,in-vitro Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(c3cccc(S(F)(F)(F)(F)F)c3)C2)n1C 169299458 WHOZDXFLKLSAJU-KKSFZXQISA-N 521.581 6.192 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(C)[C@@H](CO[C@@H]2O[C@H](CN)[C@H]3OC(CC)(CC)O[C@@H]23)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 170141654 HRLAXKZJTPXIKW-ZBUVXVKHSA-N 880.297 7.755 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195464140 HJZKIBHFMSMROG-JFYQVNSESA-N 711.907 7.130 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195491066 YZHKRXBIMOGRMG-NCAYHCJHSA-N 610.037 7.109 50 1 KKGF Cc1cn([C@H]2C[C@H](NC(=O)CC3CCC4(CC3)OOC3(OO4)C4CC5CC(C4)CC3C5)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]c1=O 195522038 OXWYDFWGIXHYOQ-JHQNWYJYSA-N 800.038 5.533 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C/C=C(\C)CCCO[C@H]1CCO[P@](=O)(NCCCl)N1CCCl 299865608 NYVDLPJGHWBXKG-DDAMONRBSA-N 631.710 10.489 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(I)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056712 QQJPHASDOZFDGG-AUWJEWJLSA-N 534.188 6.341 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C[C@@]21C 587507384 PVMASHPYDGEBPS-JELVAIQASA-N 651.215 7.415 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587546394 WJLRBENBMSODCY-IRPSRAIASA-N 546.362 5.673 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(=O)C(C)(C)C)cc2)([C@@H](C)Br)N1 587672276 ZHGOTQSIJIXBSP-CSTKLKAISA-N 527.272 6.101 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 587673625 OURBMFZTNYWYLX-LFPIHBKWSA-N 501.237 6.332 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)c(Cl)cc12 587689539 UEBYEGXOBJLYIV-DFMVQKSTSA-N 562.266 6.178 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 587712703 BKCKQISYNCZYLV-VAZLSXMYSA-N 541.839 7.002 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]1(CCCCCCl)c1cccc(Br)c1 961783018 LQSPXCCASOMDNB-OLWNVYNHSA-N 641.006 5.184 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](c1ccccc1)(c1c[nH]c(C(=O)NNc3ccccc3)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962641500 XQTPHDXGKMWYSS-ZBWWXOROSA-N 594.668 5.513 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962714795 SZPRVPRBTPMHCJ-CCLHPLFOSA-N 515.481 6.312 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1c(Br)ccc(Cl)c1F 963135580 FBGSAEZECVUCFU-BLVKFPJESA-N 584.689 5.583 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cn(C)c3ccccc23)N1 963166615 XVSMGFFQNRLPKY-HCJVMEMPSA-N 671.639 7.097 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2c(C(F)(F)F)ccc(Br)c2F)N1 963176002 HJGTUGYGOBRKNB-DYVFJYSZSA-N 613.549 6.517 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@H](CCCO[Si](C)(C)C(C)(C)C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368163 PVFYCQDRTNJUKT-ACHIHNKUSA-N 601.816 7.584 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@@]3(CNc3ccccc3F)CC[C@@H]2[C@]1(C)CO[Si](C(C)C)(C(C)C)C(C)C 1857647383 NDDBCAIBYYDCAC-UFVCMBBUSA-N 657.940 8.205 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356292369 QEOACWIESFHLCB-LUWYUZSYSA-N 795.085 6.158 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@H](CSS[C@H]3CC[C@H]12)C4 2356352072 LVXQVHGFMPQXBZ-JLCDOHLUSA-N 707.911 7.552 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 2356358161 XMDGJOBRANCNLH-MMYCPTATSA-N 680.841 6.587 50 1 KKGF CNCc1cccc([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@H]24)c1 2356362579 GLFRRUZICYOJRP-RLUXSOLFSA-N 664.982 5.406 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356372264 AVTINTRWABOWKF-ATLGSGEESA-N 873.185 5.202 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356489085 JELCKWIUSSGOOT-RNUUGWIRSA-N 741.195 13.424 50 1 KKGF CC1(C)CC[C@]2(CO[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2356528330 UUAGMUWFWZGYBW-JGLRPCQFSA-N 587.094 10.860 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356809477 MMSSEWUGUTXCJJ-OWAUTPLLSA-N 826.163 7.049 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@@H](C)O)SS[C@H]7C=CC8=C(NCC=C8CC4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356821519 GBONOEHKFXWCAP-UQQJTGSDSA-N 730.009 7.202 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@@H](O)CCCC1 2356844794 NZIFUCFUWBLRMN-LBPQUNGGSA-N 750.040 5.382 50 1 KKGF COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)CCl)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 49650167 ADRCNWRFAMSXCF-XZWHSSHBSA-N 685.217 7.298 50 1 KKGF O=C(c1ccccc1)c1ccc(Br)cc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cccc(Br)c2)o1 150578200 VOCPBUJTMPFOAF-VXKWHMMOSA-N 617.681 6.100 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)COC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@@H]32)C1 254102479 OKPXOAYGQQZPIK-PCVHZECRSA-N 883.183 15.001 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299841652 ZMYCLKSPUUAQFN-UXPMFSTESA-N 945.072 7.011 50 1 KKGF N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 586997206 OWTDAQWOXVOISH-GFCCVEGCSA-N 521.147 6.988 50 1 KKGF NNC(=O)c1ccc2nc(Cc3ccc(NC(=O)OCC4c5ccccc5-c5ccccc54)cc3)[nH]c2c1 587244509 KVFQEDBYIGQVHX-UHFFFAOYSA-N 503.562 5.118 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537417 FFVSZLGWCHKKRR-NOXFTYBFSA-N 503.732 5.141 50 1 KKGF C/C(NNC(=O)COc1ccc(Cl)cc1C)=C1\C(=O)c2ccccc2[C@]12c1cc(O[P@](=O)(O)OCc3ccccc3)ccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963083209 OATHBZBYBDAWQH-BDVPAFRSSA-N 940.342 9.019 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cc(F)cc(Br)c2)N1 963161857 WMILOLHLXYRNBD-SHUZPENHSA-N 715.461 7.507 50 1 KKGF Cc1cccc2c1[C@@](c1ccc3c(c1)OCO3)([C@@H](C)Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963903578 AYZZBBNNYNRUFN-HDNWHIHDSA-N 532.431 5.387 50 1 KKGF C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2 2356301306 UNLUAROUPQICHZ-XTMAEVLWSA-N 924.242 10.035 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356316855 UWFWTGBUZWMJMF-BIYCFNCWSA-N 668.830 6.496 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356366791 QLPSZCYQVIFFAX-XVRXDBQUSA-N 789.161 8.260 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356368926 BESJMKYRTXDLSU-DYYXNGSWSA-N 817.215 9.315 50 1 KKGF CNC[C@@H]1SSC[C@H]([C@@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@@]1(NC(=N)NC)C2 2356372078 XTAIHWXIGKTBQY-BOZFGWSZSA-N 796.025 5.618 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@H]5[C@](C)(CC[C@H]6[C@@](C)(CO)[C@@H](O)CC[C@]65C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]21C 2356407803 LFOGUDTXRGAZLK-FSZONXKKSA-N 923.373 12.166 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356563223 SRWDJHBXGAJNAG-WNBHNEBNSA-N 899.277 9.440 50 1 KKGF C[C@H]1CSS[C@H]2C=C[C@]34C[C@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)[C@H]3CCC[C@]41C=CC[C@@H](C)C1 2356572631 HVNUOJHYCPJULX-PHOJBPEXSA-N 585.923 9.122 50 1 KKGF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@@]2(C)[C@H]3CC[C@H]2[C@](O)(CCl)[C@H](O)C[C@H](C)[C@H]2C[C@H]2C)C1 2356607280 TWHOFQMFCFCUBZ-GIENIJLCSA-N 541.213 5.618 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3CCOc4c(O)ccc2c43)CCNCC1)[C@@H]1CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@](C)(O)CC1 2356673098 BRFRPCHSAOUQDX-IBHNPTFNSA-N 916.301 7.656 50 1 KKGF C=C(COC(=O)[C@](C)(O)C[C@@H]1CC[C@H](O)[C@]2(C=C(C)C[C@H]([C@H](C)C=C[C@@H]3CC[C@]4(CC[C@@H]5O[C@H]([C@H](O)C[C@H](C)[C@@H]6O[C@]7(CCCCO7)CC[C@@H]6C)C(=C)[C@H](O)[C@@H]5O4)O3)O2)O1)CC(=C)[C@H](CCO)OO 2356688778 LZSACGSEJDYUGC-RKWHMNQLSA-N 975.223 6.415 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356777722 CDLJSPAPJITIQM-GYKOWHLBSA-N 813.000 5.505 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356778025 KKFCKVHXFPWSKN-FCOJGZHOSA-N 803.138 6.438 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H](C(=C(C)C=O)CC[C@]2(C)O)[C@@H](CCO)CC[C@]13O)CCC=C(C)C 2356779668 WDTKFTNQHRGVNY-GVEPQBHGSA-N 556.784 5.377 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2cccc(Br)c2)N1c1c(O)c(Cl)cc(Br)c1Cl 1662036 FWVYSXLAUNTRDQ-NWDGAFQWSA-N 500.401 5.919 50 1 KKGF COc1cc(/C=C(C#N)/C(O)=N/c2nnc(SC)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 36243071 PUHJZFAROGKHJQ-VGOFMYFVSA-N 574.528 7.080 50 1 KKGF COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)[C@H](O)[C@@H](Br)c1cccc(c1)O2 49709885 JMCYYYSADNUJHJ-KYJUHHDHSA-N 547.445 7.557 50 1 KKGF COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Br)cc1)C(=O)OC)NCCC(=O)c1ccc(Br)cc1 72115311 LVTSQDAXYPQFIF-DNQXCXABSA-N 718.530 5.481 50 1 KKGF CCC(=O)N1CCCC[C@H]1[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169851858 SDDAUTZIHMYSJR-IVTNHMPGSA-N 573.979 8.578 50 1 KKGF CCc1ccc(-c2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cs2)cc1 587016458 WDPXKCBQDBLDAC-UHFFFAOYSA-N 510.351 8.336 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(C#N)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054767 IMLMYZZVYRKETK-SXGWCWSVSA-N 511.210 6.976 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539312 VGYZKCMPMAAAPA-VCHGGQOGSA-N 504.174 5.795 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587546307 VUOYQCXNYXBHSE-LITSAYRRSA-N 503.982 6.294 50 1 KKGF COc1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1OC(F)F 587557285 RHNRMUVIGAZXLN-XXBNENTESA-N 507.283 5.254 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3C1=N2 587573677 UGFPKWHZIBFRGF-SJHOIFEDSA-N 555.590 6.400 50 1 KKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587682133 BFRWZLUPNKJSKA-KAHZROCGSA-N 516.882 7.177 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)C(C#N)=C[C@]34C)[C@]1(C)CC2 587741796 PDBOAUQQSYJESI-SYLUXWRQSA-N 719.780 9.141 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc([C@@H](Cl)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 587917134 BZVZKIYDGJZNMW-NDEPHWFRSA-N 523.352 8.337 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1Cc1cccc(Oc2ccccc2)c1 618017447 QJSZVGOAKOSHFZ-NVQXNPDNSA-N 684.733 6.030 50 1 KKGF Cc1nc(C)c([C@@]2(CBr)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)o1 962400775 HAXCZVVMTOPQBQ-FYBSXPHGSA-N 588.458 5.585 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@H]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C1)N2C(=O)OC(C)(C)C 962711960 RAQDMASGIHVKBM-RYHHNGCQSA-N 787.058 8.110 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CCl)c1cc(C)n(-c2cccc(Br)c2)c1C 963064044 GCSUFPMMPYOXOF-SANMLTNESA-N 510.863 6.042 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2ccccc2)([C@H](Br)CC(=O)O)N1 963175021 RLMIDSVJUYWGMU-QUBOUHRKSA-N 676.611 6.449 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(F)cc3)CC2)nc2ccsc12 1772622786 XEONIRSOONODDE-ONEGZZNKSA-N 513.642 6.853 50 1 KKGF CCCC[Si](CCCC)(CCCC)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857586297 QYEDKXOABPHWKG-KTCSAHLDSA-N 669.032 8.723 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCOC(=O)CCCC[C@@H]4CCSS4)c4ccccc34)[C@@H]21 1857633122 NBFKMBJRWMFJFU-GPNASLBKSA-N 607.842 6.842 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356294205 AQRCUZINRQQULQ-IHQDLWMOSA-N 645.803 5.195 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356351528 ZLOWUTPSRITHJP-HDAFMKDWSA-N 776.967 5.062 50 1 KKGF C[C@@H]1CC=C[C@]2(C[C@H]3CC#Cc4c(O)cc5cc4C[C@H]4C[C@@H](C[C@@H]2[C@H]4C3)[C@H]2CC[C@@](C)(CSS2)NCc2ccccc2C5)C1 2356360311 CZAFIFNHLPVCMR-CFFSMQIRSA-N 623.972 9.328 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@H](C)O)C2)Cc2cccc(c2)C1 2356360614 JUUFJROMHPGSHV-BQGUYXAISA-N 972.362 5.858 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356367152 XBLBCMDGVHBGLN-KKDCIYGSSA-N 903.173 7.811 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@@](C)(O)CC=CC(C)(C)OO)CC[C@@]23C)C1(C)C 2356734891 DHINOQSEHVSVIQ-SUKPNKEUSA-N 518.779 7.569 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)CCC=C(C)CCCC(C)C 2356768194 NGNSIQFBJPYTHZ-XJZSZEIDSA-N 556.828 6.777 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@@H]1O 2356778317 RLHONFSRUWCIHA-BUFNYJMMSA-N 931.234 8.595 50 1 KKGF OC1=C(Oc2ccc(Br)cc2Br)[C@@H](Br)[C@@H](Br)C(Br)=C1 2356786358 AOARUSLMRJGGMJ-QWRGUYRKSA-N 582.706 6.179 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356818094 DQKCUHPDTSTPCR-VQUPLNLXSA-N 917.296 7.917 50 1 KKGF CCCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@H](C)[C@@H]1CCC(=O)OC 2356826848 HKUFOFCGDABZAJ-AGHHOFFYSA-N 620.750 5.992 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25CC[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 2356839568 LVVXSOXHDXRHNY-BIGVGFGJSA-N 871.138 6.607 50 1 KKGF O=C(N/N=C/c1ccc(OCc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 13439013 QYYIKSJXCGARKE-XAZZYMPDSA-N 514.887 6.440 50 1 KKGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(O)(c2ccc3ccccc3c2)c2ccc3ccccc3c2)CC1 49757532 PBBVMKJEAHQRJG-UHFFFAOYSA-N 532.596 7.048 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 85627232 DZQOMQKIJAGGDJ-QYSOPFFDSA-N 835.190 8.373 50 1 KKGF biogenic,in-vitro CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C(O)=C1C(C)(C)CCC[C@@]12C 86050433 YWBKKENLEYFYSE-FONAMCPPSA-N 614.867 10.655 50 1 KKGF COc1cc(/C=C/C(=O)N(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc(OC)c1 169312060 PJBCJSCIHUEGBH-IUPOQCCVSA-N 592.323 8.794 50 1 KKGF Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO[P@@](=O)(O)C(=O)OCc2ccccc2)c1=O 170056895 DDYSDFLNIDNUQI-FVMGJHLRSA-N 846.054 5.456 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 253918761 ZYNDZWJYJYLFBP-WOVOPLKFSA-N 540.716 7.099 50 1 KKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3cccc(Cl)c3Cl)ccc21 299860837 HGYCFTAAMBTUHV-VFLNYLIXSA-N 520.247 7.491 50 1 KKGF CSc1sc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(I)c1S(=O)(=O)C(C)C 587182251 CQSMBFDVNFIYQB-UHFFFAOYSA-N 683.347 8.220 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccc(F)cc1 587333628 KVKSCEOAVSWPSY-YTMVLYRLSA-N 507.964 6.630 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)[C@H]2C[C@H]3[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]2[C@@H]3[C@]1(Cl)C4(Cl)Cl 587375388 LZNHRVTTWIAAPW-LNJTXMJFSA-N 528.090 5.534 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)CC2=O 587455849 GXMCMMIBNPYIOD-AREMUKBSSA-N 526.383 6.088 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 587674331 WFENCDXXEQOFIK-BIBXISHDSA-N 514.620 6.069 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 587684358 WCAHVDVDMNUCLI-JCQPUDPBSA-N 540.702 6.775 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(c3ccccc3C2=O)c2ccsc2CCN1Cc1cccn1C 962370745 GTGVHDGTXWMICY-JWRCQZCYSA-N 550.511 6.200 50 1 KKGF CN(C)c1ccc([C@@]2(C(Br)Br)NCCc3cc(-c4ccccc4)ccc32)cc1 962662031 BRAIKJJLRAJIIR-XMMPIXPASA-N 500.278 5.925 50 1 KKGF C=CCn1c(C)cc([C@]2(CCl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)c1C 962677728 MLUUXGHMJAVPFM-MUUNZHRXSA-N 547.017 6.508 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1ccc(O)c(C)c1O 962985890 IDBNKLJZNZNGEB-MUUNZHRXSA-N 544.431 5.217 50 1 KKGF CCN(c1ccc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1)S(C)(=O)=O 963016813 MQVTUCQRXZAQNE-IRPSRAIASA-N 600.524 5.241 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085468 PQHMJFWYULGDCV-AEGYFVCZSA-N 799.567 8.190 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CCCCCCl)c1ccccc1OC(F)(F)F 963153454 VTRIDRHBRXIOAM-SBUREZEXSA-N 549.011 6.331 50 1 KKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CBr)c1ccc2ccc3cccc4ccc1c2c34 963636731 RVHRAFBUFSXBBN-CQGGRAHPSA-N 500.436 6.774 50 1 KKGF O=C(NCc1nccs1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5nccs5)cnc34)cccc2c1 1772574939 GAKYIVFGFVBUQD-UHFFFAOYSA-N 600.776 6.355 50 1 KKGF CN1CCN(CCOC(=O)N(c2cccc(Br)c2)c2nc(SCCN3CCOCC3)nc3c2cnn3C[C@H](Cl)c2ccccc2)CC1 1772644677 ZPYFGEVWAWJEIR-LJAQVGFWSA-N 744.160 5.515 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCCCCCOC(=O)[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857767707 WTYZBDYAJBWJJO-QXZUTZRMSA-N 706.870 6.422 50 1 KKGF CN[C@H](O[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC[C@H](C)O)c(CO)c1 2356368872 ASNSDUXCOHSAPN-AYGLKGGKSA-N 736.953 6.443 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356396927 ALBVIGFPGWYMFA-WUEVBFPDSA-N 808.214 7.747 50 1 KKGF COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@H]6O[C@@H]7OC[C@@]8(C[C@H](OC)[C@@H](O[C@@H]9C[C@H](OC)[C@H](O)[C@H](C)O9)[C@H](C)O8)OO[C@@H]7[C@@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O 2356471905 FDBYPFLHFZCXCR-XNIDPNGXSA-N 923.103 5.123 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H]3C)[C@@]12O 2356484487 WODQCNNHFKTBGP-RAIGFZALSA-N 968.425 7.941 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@@H](O)CSS1)[C@H](O)CC(=O)CC2 2356692893 OJAWUJDHXHVGPL-VCKSWQBFSA-N 540.703 5.776 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@@H](CCOC)C3)c2)N1 2356711597 HOMMFWZRPGECIA-QWUAFLFASA-N 727.006 6.707 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@H]2CSSCc3ccccc3CC[C@H](c3cccc4cocc34)CNC(=N)N2)C1 2356770306 JBAHFEDDGNWBLM-CAYRXFFASA-N 880.318 11.716 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]1(n3ccnc3)CCC3(CCCC3)C1)C1=CC2=CN[C@H]1N 2356819102 DZBQVVXUYQTUQX-PTAZQKKLSA-N 700.971 7.569 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@@]13CCC[C@@H]1C=CC1=CNCN13)c1cc2cnc1N 2356841103 NESUICDJBABAHX-OYZRROEOSA-N 670.901 7.045 50 1 KKGF COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1cccc(C)c1)=N\NC(=O)c1ccc(C)cc1 5596229 SOJOBFGEBMGKFF-HEXIMOTKSA-N 507.598 5.821 50 1 KKGF O=C(N/N=C/c1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 27637686 TZEWXOHDOBPQQZ-DPNNOFEESA-N 547.486 5.934 50 1 KKGF O=C(N/N=C/c1ccc(OCCNCc2ccccc2OC(F)(F)F)c2ccccc12)c1ccc(O)c(Cl)c1 27650246 HUVMPTHJUQTNPP-KVAAJVFYSA-N 557.956 6.030 50 1 KKGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873597 TZMLNHHPJAHFJW-LOSJGSFVSA-N 657.377 6.129 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccc(OC)cc4cn3)ccc2[nH]1 29241300 KYRZZKWKEWEMQJ-GOSISDBHSA-N 692.050 6.952 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccccc1Cl)SS/C(=N/c1ccccc1Cl)OCCN1C(=O)c2ccccc2C1=O 49833156 SICZUSSRKNSHEG-YEQLPCBTSA-N 719.628 7.676 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101901631 MYRMZFUQZMMUSV-GRDGPQKISA-N 524.498 6.227 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@H](C[C@@H](c6cc(O)ccc6-4)[C@H]5CO)[C@@H](C)CCSS3)[C@H]2O)cc(OC)c1O 150342915 LAPDKKBULPKXNQ-PEYVELRPSA-N 696.884 6.494 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 150348606 FXCRSCRJPGCRJB-OBXSKEQCSA-N 955.345 9.392 50 1 KKGF biogenic,in-vitro O=C(Nc1ccn([C@H]2C[C@H](I)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1 160327711 OLTSJGCPXISYSI-XAGDYJCDSA-N 683.546 6.595 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3cccc(Cl)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169313275 OLDXHGVYIUCQSS-DWNPJKEUSA-N 732.311 8.148 50 1 KKGF Cc1cc(Nc2cccc(C(F)(F)F)c2)c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2n1 169352627 TUDWZNRBBVYJEP-UHFFFAOYSA-N 576.450 8.234 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@H]3CC[C@@H]2[C@H](C)CCCOC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)C1 254153429 ZVUDXNNYTPRRDM-LTNFXHHTSA-N 911.237 15.781 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H]2N[P@](=O)(N(CCCl)CCCl)O[C@H]1[C@@H]2O 299815242 JALYFSGCWRLNPP-HGXWYISSSA-N 617.592 5.988 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(c4nc5ccc(C(=O)NN)cc5[nH]4)CC[C@]3(C)CC[C@]21C 586899841 TXIKYPLMKXPJFP-FWOYNTRLSA-N 600.848 6.759 50 1 KKGF FC(F)(F)c1nn(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1Br 587117785 GKLNXTQCPIVIMK-UHFFFAOYSA-N 564.094 7.203 50 1 KKGF COc1ccc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 587239345 WCYRKFSWQCYUDR-UHFFFAOYSA-N 587.570 9.257 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)ccc1Br 587320666 GGVRJNNDLVZOCU-XRKRLSELSA-N 568.870 7.503 50 1 KKGF Nc1c(Br)cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br 587321363 JESBPARLLHZFLB-DENIHFKCSA-N 600.076 6.288 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1[C@H](C)c1ccccc1 587329981 ZDCIOBHBSHYIME-QHFKPOADSA-N 504.001 7.052 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1[C@@H](C)c1ccccc1 587329983 ZDCIOBHBSHYIME-ZSRMOJDHSA-N 504.001 7.052 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Br)ccc(Cl)c1F 587559139 WFBYBJKRONSXMR-DYESRHJHSA-N 542.582 6.199 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 587670989 NGYFWWPJKDJPMF-CYKIYJRWSA-N 550.060 5.367 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)([C@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 587688300 KXUYJFLCHZLYSS-VMECEYQXSA-N 610.565 8.470 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](Cc2ccc(F)cc2)NC(=O)OCc2ccccc2)N1 587735337 PLUPUTQVMKOUMV-IPZQTHRPSA-N 563.870 6.233 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)N(C)[C@H](C)C2 962631395 RIHDLOWJGGXJMX-JJCDCTGGSA-N 514.463 7.116 50 1 KKGF CCOC(=O)N1[C@@H](C(=O)CBr)Cc2ccccc2[C@@H]1c1cc(OCC)c(OCC(=O)NCCc2ccccc2)cc1Cl 962998236 TYYZLEVDBNSWIL-MXBOTTGLSA-N 657.989 5.913 50 1 KKGF CN1C(=O)C[C@@H]2CN[C@@]3(c4cccc1c42)[C@H]1C[C@H]2[C@@H]3[C@@]3(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]2[C@]3(Cl)C4(Cl)Cl 963025069 JIYNFZOUAWYOKX-GWSXZKBRSA-N 553.144 5.188 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 963170258 IMJRYQKOZGMUPS-PIFUBOJPSA-N 720.667 7.698 50 1 KKGF Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)c4ccccc4CCN3[C@@H](C#N)c3ccccc3)c2)cc1 963183056 ALBLULVEIOXWLZ-URLMMPGGSA-N 516.066 5.639 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(C(Br)Br)C(F)(F)C(F)(F)F 963189119 CDKIPOJDBJJGKF-AEFFLSMTSA-N 538.152 6.318 50 1 KKGF C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963241469 UCPZSZCEOBXIGH-HOYUZMNJSA-N 727.082 6.656 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2ccccc2S(C)(=O)=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368046 OXJMDTYBWHAFSE-BFGHFXMOSA-N 676.585 5.783 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(Br)c3)CC2)nc2ccsc12 1772596807 MEPKDZIWZBITAX-GQCTYLIASA-N 574.548 7.476 50 1 KKGF N[P@@](=O)(OCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl 1772633265 NMKALLBHRSIRRM-VZUYHUTRSA-N 670.937 7.767 50 1 KKGF COc1cc2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857549279 CZDUWEWNKSPAHB-ONEGZZNKSA-N 600.915 7.040 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(C(=S)SCc4ccc(Cl)cc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857599851 YBWVDMAENLZLOU-DYNDHCHKSA-N 553.190 5.684 50 1 KKGF C[C@H](CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc3ccccc3n2)cc1)[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 1857760230 FTKNNUWENGLISI-FRLMVOEVSA-N 680.890 6.315 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356294863 RTCUQKJLIZGMBT-HPGOASCASA-N 849.177 7.471 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SS[C@H]7C=Cc8c(ccnc8N7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356300543 MXXQLTYCWXKNPY-OANUWTGCSA-N 932.218 9.425 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2CSS[C@H]4O)C1=O)[C@]65C 2356349999 SHOFSPKIXBNKOF-FXMJZNDFSA-N 866.196 6.707 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC2CCCCC2)C[C@H](C(C)(C)O)O3)O1 2356487231 SZFINAONAOTLBP-NLGDKJDOSA-N 639.745 6.653 50 1 KKGF COC(=O)CCCCCCC[C@@H](O[Si](C)(C)C)[C@H](CC=CCCCCCO[Si](C)(C)C)O[Si](C)(C)C 2356661963 WIZYORSJSLAYHG-RRPNLBNLSA-N 561.041 8.689 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@@H](c3cccc4cocc34)CNC(=N)N2)C1 2356770307 JBAHFEDDGNWBLM-MBWPWGBVSA-N 880.318 11.716 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@@]2(C)CCC(Cl)=C(C)C)[C@H]1Cc1cc(Br)cc(Br)c1O 2356805168 VFDRWRLRZIENRT-HEXZYVSESA-N 637.722 9.925 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@]2(C(=O)OC)OO[C@@]2(O)C4=C3C)C(CC)=C1C 2356819152 DZJFUXNLJISKAL-NLCCWLKMSA-N 901.202 11.807 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@@H]4C(=CC[C@H]5CSSC[C@H]6CCC7(CCCC7)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4CO)c1 2356841133 NFCFCKOCJHZDCC-AVWCLBEKSA-N 780.106 7.716 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCNCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 71332253 MHGMBQAFSREBOE-HMFXVDFDSA-N 560.091 5.031 50 1 KKGF Cc1c(C(=O)NNCc2nc3ccccc3n2Cc2ccc(F)cc2F)sc(C(=O)NNCc2nc3ccccc3n2Cc2ccc(F)cc2F)c1C 95561485 KPONOQIAKCXPSZ-UHFFFAOYSA-N 740.787 6.587 50 1 KKGF Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)C[C@H](Br)[C@@H](Br)C4)cc2)cc1C 169718853 AFXZXHOLZDKWJA-SFTDATJTSA-N 577.269 5.171 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 299805970 KVAJQTDLSYOZKU-SRQWRDIKSA-N 535.607 7.751 50 1 KKGF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587037917 AEBYVXSEZSFQAH-UHFFFAOYSA-N 522.319 6.848 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(C(=O)O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058402 YSUHYTAAAVGHOW-AUWJEWJLSA-N 530.209 6.802 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190456 KZGUVFAYUPTGNH-YEXLVFSCSA-N 685.660 7.266 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Br)c2F)[C@@H]1c1ccc(F)cc1 587330285 GQWPKMXYEAHQPQ-DENIHFKCSA-N 524.155 6.082 50 1 KKGF COc1c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] 587672491 GHTALJWMNVFLIP-HOGDKLEQSA-N 536.623 5.640 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 587674532 XLIJCXKIJMQXPE-SOSRDMSHSA-N 579.392 7.223 50 1 KKGF Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br 587676970 JJMKEEQGULFFGU-SHACYNPGSA-N 554.729 7.083 50 1 KKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587687040 YNGPCRVJIDQJEC-ZPBOBRSPSA-N 516.882 7.177 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 587688265 KFMLYYLOAWTOBF-CKMSVJFGSA-N 531.809 5.341 50 1 KKGF N#C/C(=C(/C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 587884600 OFOMNXQCOSTCCQ-OCOZRVBESA-N 549.255 6.424 50 1 KKGF NC(=O)c1cc([C@@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O 963091068 SYZDMKRDBXABJZ-IKYOIFQTSA-N 647.569 6.433 50 1 KKGF Cc1cc([C@]2(CCCCCCCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)ccc1F 963140119 JCBZDJUKDVXGSW-CJFMBICVSA-N 511.059 6.270 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)c1ccccc1OC[C@H]2Br 963157393 LHEMAXAZHXLONC-JNYUFQCESA-N 646.585 6.366 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(c3ccccc3-c3c(C(=O)Cl)cccc31)N(C(=O)c1ccccc1N)CC2 963158694 SGPUUZKQZIHRKO-HKBQPEDESA-N 525.004 5.636 50 1 KKGF CCCCCCCC[Si](C)(C)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857554655 BWJCPPRFQMGFFY-BWWZJWDQSA-N 640.978 7.943 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(SC)cc2)nn1 1857636106 IKEZETJFWFIKJI-MCDHGSIYSA-N 535.754 6.796 50 1 KKGF O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2SSc2ccccc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 1911578398 WYQCKNOAYBPKCO-UHFFFAOYSA-N 708.690 5.720 50 1 KKGF CCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1 2356326513 XYNWKOXRMZVNTQ-SFZBSJHBSA-N 661.792 8.962 50 1 KKGF CC(=O)O[C@H](CC=C(C)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@@H](C(C)(C)OC(C)=O)O1 2356508483 YNDZQZOHHGRSLG-KDRISQGSSA-N 671.710 7.130 50 1 KKGF CCCCCCCCC=CCCCCCCCCCCCCCCCCCC=C(C=O)CCCCCCCCCCCCCCCCC=CCCCCCCCC 2356511149 ZLNORYRUCUDIMI-UHFFFAOYSA-N 795.463 20.599 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356534754 QHJUKUNLUXNCHU-MLHHCXFYSA-N 990.387 6.890 50 1 KKGF CC1=CCCC(C=O)=C[C@H](OC(=O)c2cc3c(c4c2c(-n2oo2)cc2ccccc24)OCO3)CC(C)=CCC1 2356699806 JXSWUEJUEYVHLC-HSZRJFAPSA-N 527.573 7.206 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCC[C@@H](Cc3cccc(O)c3)C1)CC[C@H](O)CC(=O)CC2 2356700860 IURSOCVSJHFFQH-RPYQKDSPSA-N 937.238 6.792 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@@]3(NC(=N)NCCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356756964 HOBOJICLDBWJRK-HPGHVMEVSA-N 811.036 6.172 50 1 KKGF CCC=CCC=CCC=CCCCCCCCC(=O)OC[C@@H](CO[C@@H]1O[C@H](CO)[C@H](OO)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCC=CCC=CCC=CCC 2356764403 FRMJXPCHGMQHNY-DKSYBEQFSA-N 791.076 8.934 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356809478 MMSSEWUGUTXCJJ-QARNFRKPSA-N 826.163 7.049 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356809748 ASSYQPXIDJTPOE-PQVWTHPVSA-N 639.968 7.292 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873660 SQTOJVAIUPEFBN-DNQXCXABSA-N 643.350 5.826 50 1 KKGF COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](NNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)Cc1cccc(Oc2ccccc2)c1)C(F)(F)F 95615311 HEWYYDASRJYHND-KVBYWJEESA-N 805.851 5.445 50 1 KKGF C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@@H]4O[C@@]2(C)CO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103188944 RPVOJEKMAVTVFM-TZOYHWPUSA-N 550.689 5.216 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccc(N=C=S)cc4)C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 136070095 OXVIDGHUFWUYCY-JWDVHEBFSA-N 561.707 5.829 50 1 KKGF CC(C)(C)/C=C(/C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 149838098 BRHJRWOQJXUVRF-CSMMYAOASA-N 521.625 5.527 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(CCCCC1)OO2)NCCCN1CCN(CCCNC(=O)CC2CCC3(CC2)OOC2(CCCCC2)OO3)CC1 150595344 AGHZRRMAUNGIKZ-UHFFFAOYSA-N 736.948 5.311 50 1 KKGF CCC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CCSSC)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C1C2(C)C 169365033 LLVWHACNFUVFEA-GNLGCVIPSA-N 976.173 5.766 50 1 KKGF C=CCO/N=C(\C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 169616811 WGDOECSYODBCCA-FACVTKIHSA-N 631.807 6.436 50 1 KKGF Fc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(F)c2)c1 473156147 SRMHESRSPWLPFU-UHFFFAOYSA-N 554.738 8.382 50 1 KKGF O=C(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cc2c(s1)CCC2 587033778 ARUCRLFLDCMITK-UHFFFAOYSA-N 502.328 6.463 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)[C@H]1c1ccc(F)cc1 587335418 QXODESBXJZKHIQ-HTAPYJJXSA-N 593.045 7.348 50 1 KKGF Cn1cc([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587548681 OXZJCNWSLBTCBN-XXALVFSMSA-N 610.563 7.858 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 587672400 FSTMHJUAZHTTMG-ODCWNRFASA-N 610.159 7.006 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 587690011 YQTTYIYEGRWVTR-OZAJXLCCSA-N 505.815 5.741 50 1 KKGF CCCCC[C@H](C(=O)NCc1c(F)c(F)cc(F)c1F)n1cc([C@@](CC)(NC(=O)OCC[C@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)C2CCCC2)nn1 621431823 OZHYYLXHOPUFPH-VZMAXERXSA-N 946.097 7.920 50 1 KKGF CS(=O)(=O)c1ccc([C@@]2(CSC#N)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963039398 NTXBSBNZWCNZSR-SJHOIFEDSA-N 660.720 6.087 50 1 KKGF Cc1cccc([C@]2(CCCCCCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963227631 DCODFLKMKAIFBE-DWEWYUIOSA-N 700.144 7.820 50 1 KKGF O=C(Nc1cccnc1)[C@H](Cl)[C@@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830932 FEZSPOHTIBKXTD-QCENPCRXSA-N 523.036 5.777 50 1 KKGF CCCCCCCCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772626826 OTVIJJKBILNRLT-CEVIRODTSA-N 599.293 7.964 50 1 KKGF C=C1CC[C@H]2[C@@](C)(C(=O)OCc3ccc(CBr)cc3)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 1857773902 BWEVAVWUXYFYMQ-UTYIFVIFSA-N 675.660 9.040 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC[C@@H](c2cc(O)c(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356351022 OERAZJJAKCZMRQ-FMRHZRETSA-N 521.701 5.784 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SS[C@H]7C=Cc8c(ccnc8N7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356360907 REQNWSXGCMVWRL-CCDMYPPZSA-N 848.100 9.036 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356396924 ALBVIGFPGWYMFA-DSAYFPKKSA-N 808.214 7.747 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](O[C@H]2OC[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@H]1O[Si](C)(C)C 2356597420 HBCHLHOVNYPIHS-JNEQMDEGSA-N 974.724 9.918 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@]31CC[C@H]([C@H](O)[C@H](O)C4)[C@@]15C 2356611223 PIYWFURNNOGWMG-CBMUNKAMSA-N 880.223 6.607 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(CCC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356735649 ATLHDMJMMBWTEW-ULWHLXMCSA-N 912.265 8.232 50 1 KKGF CN[C@@H]1CSSC[C@H]2c3cc(O)ccc3[C@@]34[C@H](CC[C@@]35[C@H](O)[C@H]1C[C@@H]1[C@@H]3CC[C@H](O)[C@]6(O)O[C@H](C(=O)Oc7c(CO)[nH]c8ccc9cc%10ccccc%10cc9c78)[C@H](O[C@H]15)[C@]36O)C[C@@H]1CC[C@@H]2[C@@H]14 2356747380 ORYJQCRFEHWISW-VRTBSFGCSA-N 947.185 6.392 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356824622 GWOIVIGPYVEMQA-NCRQPBPXSA-N 953.237 6.060 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NC[C@H](CCc4ccccc4)[C@@](Cn4ccnc4)(SSC1)C3=C2 2356855708 RSLLQCDEEIXSLN-ZCSYOIILSA-N 698.955 6.914 50 1 KKGF CCOC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 3949442 IDHGEFGDZPCYJX-GDLZYMKVSA-N 672.053 5.879 50 1 KKGF O=C(N/N=C/c1c2ccccc2cc2ccccc12)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 28643033 IJXRWFOIJGUZOA-QLQYKETESA-N 509.653 7.773 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873504 DQNAYEJQHOMPNK-BJKOFHAPSA-N 627.351 6.121 50 1 KKGF CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)[C@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 73417942 GJRHITRDRUDSJP-ITNSLXOISA-N 622.172 6.019 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@H]3CC[C@@H]2[C@H](C)CCCOC(=O)N(CCCl)CCCl)C1 95549024 OLBRUINDIWQMQU-VBQAWBKWSA-N 793.058 13.847 50 1 KKGF [C-]#[N+]C(C)(C)c1cccc(NC(=O)c2ccc(C)c(Nc3ncnc4ccc(N5CCOCC5)nc34)c2)c1 96175719 PUBCLWUVHVHRIZ-UHFFFAOYSA-N 507.598 5.320 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](N)C(=O)O)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC 150345151 HQCXPRBKTHCWQI-HQPLKVBUSA-N 921.827 11.477 50 1 KKGF in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@@H]2C=C[C@]4(CCC[C@@H]4C2)O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348619 OHJBTDIBTSYOEC-BGVTVKTMSA-N 1033.460 10.860 50 1 KKGF biogenic,in-vitro O=C1c2ccccc2C(=O)N1CCCO/C(=N\c1ccc(Br)cc1)SS/C(=N/c1ccc(Br)cc1)OCCCN1C(=O)c2ccccc2C1=O 150552067 AJNVBRJDZPJTEN-MBIPSJRMSA-N 836.584 8.674 50 1 KKGF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 169353486 TZBWLGUYTJUEPK-AACSFRJRSA-N 638.893 7.783 50 1 KKGF CC(C)(O)[C@@H]1C[C@@](C)([C@@H](O)CC[C@](C)(O)[C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)C[C@@H]1O 255274170 VVPGMZKHHNSPAS-YQWTWBTNSA-N 619.678 5.023 50 1 KKGF CC(=O)O[C@H]1[C@@H](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C 299823041 JQIJBJQAMULRMS-ILMLLDFZSA-O 804.129 11.741 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cncc(I)c3)nc2c1 587185684 WIKWZOIYWCRDRE-UHFFFAOYSA-N 526.066 6.649 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4cn[nH]c4cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191307 YBAOPVSKVXNJQS-SMISMSJTSA-N 601.792 6.471 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4nc5cccc6c5c(c4C[C@@H]32)CC6)C1 587213200 PHISZKGGCOIUEM-FMLBIQTJSA-N 567.511 6.657 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587323548 RSIPYUJCLTWGBW-IAPPQJPRSA-N 509.415 7.228 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587686225 BYDMYJCLEZCXBV-MDZDMXMASA-N 528.893 7.090 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 587750808 JPFCXRMKEDLOEP-WVSJANBUSA-N 538.417 7.139 50 1 KKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587844225 KZCDEWSCXYSJDB-BSEYFRJRSA-N 507.900 6.734 50 1 KKGF O=C1/C(=C/c2ccc(OCCBr)cc2)CC/C1=C\c1ccc(OCCBr)cc1 653761909 PLOQYWQAIADNGD-MXWIWYRXSA-N 506.234 6.064 50 1 KKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@]2(CCl)c3ccsc3CCN2Cc2cccn2C)cc1 962378694 ULBKBWHNXBGBRF-PMERELPUSA-N 516.110 7.174 50 1 KKGF CC(=O)N1c2ccc([C@]3(CCl)c4cccnc4CCN3C(=O)c3cc(C(=O)c4cccc(C(F)(F)F)c4)c[nH]3)cc2C[C@@H]1C 963585373 USSWGJJGUFYKPT-PSTIOWGYSA-N 621.059 6.138 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1cccc(OCc3ccccc3)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808836 TXIYXRPAWMRLLN-PGUFJCEWSA-N 639.546 6.670 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356366082 ZGLHXDSQOOGGIK-BBXVGYHXSA-N 722.118 8.251 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSSC[C@H]([C@@H]4C=c5ccccc5=CC4)CCc4ccccc4Cc4cc(O)cc(c4)C[C@@H](C3)C2)C1 2356367261 ZJXCALIRMZXQTI-UXGLBIPJSA-N 649.022 9.775 50 1 KKGF CN[C@@H]1CC[C@]2(C=CC[C@H](C)C2)[C@@H]2C[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OC)c3)[C@H](O)C[C@@H](OCO)CC4)CC[C@H]12 2356635855 MQSGBIPBNNYXLW-YVKTZZNRSA-N 832.135 6.690 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3CCOc4c(O)ccc2c43)CCNCC1)[C@@H]1CC[C@H](O)[C@@H](NCCCC(C)C)CSSC[C@](C)(O)CC1 2356673099 BRFRPCHSAOUQDX-LIROAZLBSA-N 916.301 7.656 50 1 KKGF C[C@H](Cc1ccccc1)[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@@H](O)[C@@H](CCC1)CC2 2356811381 BNYPTGIXXNMTLE-MMHHDSACSA-N 892.241 7.558 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC2 2356818932 DXPPPRVCSMNHTP-LGZJMGHFSA-N 802.116 6.089 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356828596 IIMNPDLDBDWFDJ-QANIQLPQSA-N 765.998 7.057 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356838536 MAWNJNJOJZCNSV-GNVSTDMWSA-N 959.377 9.481 50 1 KKGF COc1ccc(Br)c(C(=O)NNc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1 28710107 HNZGZVMMHLRHRJ-UHFFFAOYSA-N 551.216 5.207 50 1 KKGF C#Cc1cn(C(=O)[C@]23CCC(C)(C)C[C@H]2[C@H]2C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]2(C)CC3)cn1 71318145 WXWIPPZKVPRUFR-RTESTROVSA-N 565.758 6.724 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1cccc2ccccc12)OCc1ccccc1 84618786 TZAABCIWJURFOM-LJAQVGFWSA-N 574.768 7.964 50 1 KKGF CC/C(=N\NC(=O)Nc1ccc(Oc2ccnc3cc(OCCCN4CCCCC4)c(OC)cc23)c(F)c1)c1ccccc1 96283531 TVSUFARLRGJFLT-HXPUERGNSA-N 599.707 7.365 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@H]5C[C@@H]1C(C)(C)O[C@@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 100899912 COQAPWLZSHQTKA-LTBZWJEGSA-N 544.644 5.627 50 1 KKGF in-vitro CC(=O)O[C@H](C/C=C(/C)[C@H](Cl)C(Br)Br)[C@@](C)(Br)CCl 103293134 DTCZNJROCVEBBU-UOXJMZCBSA-N 503.884 5.370 50 1 KKGF CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c(cc(O)c2c1C=C[C@H]1N[C@H]5CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@H]1O2)C5)CC#Cc1nc(N)ccc1C[C@@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 150343169 IOPFBTIGEPHUEN-SWTLLTLNSA-N 990.257 9.893 50 1 KKGF biogenic,in-vitro CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H]([C@]13CC4(CCCC4)C[C@@H]1C=Cc1c[nH]c[n+]13)c1cc2cnc1N 150347181 XWQZMVWQOVREPJ-GLYLNKIZSA-O 723.985 8.241 50 1 KKGF biogenic,in-vitro CCCCC[C@H](CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2)C[C@H](O)CO 150349154 YOBNMBZINUFFPE-FAOUJSJVSA-N 933.270 9.521 50 1 KKGF biogenic,in-vitro CCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372849 BVDCSUCKQJSEMS-OMLBUPKDSA-N 618.764 6.104 50 1 KKGF Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)O)c1=O 170171125 HSRHKBARXBESOI-BGGLGKGRSA-N 659.058 6.103 50 1 KKGF CNC(=O)NC[C@H]1O[C@@H](n2cnc3c(NC(=O)NC4CCCCC4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195442785 SEWOGOYHGCQAOF-VBHAUSMQSA-N 677.012 5.888 50 1 KKGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@@H](O[Si](C)(C)C)C(C)(C)[C@H]3CC[C@]21C 238730685 UCSGOFGFMZNLMQ-SXLNITOESA-N 500.928 10.108 50 1 KKGF COc1cccc(CCc2cc(O)c(-c3c(O)cc([C@H]4OO[C@@H]4c4cccc(OC)c4)cc3OC)c(OC)c2)c1 238755161 DTEMQMGQWQAFOF-ROJLCIKYSA-N 544.600 6.329 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(O)nc(N)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 254073890 AMSWKXJXTYPJKN-WTMJVXIESA-N 626.036 6.814 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCSC(c3ccccc3)(c3ccccc3)c3ccccc3)nc2c1 586972588 IPEZDDCBEGCGRK-UHFFFAOYSA-N 625.526 10.251 50 1 KKGF O=S(=O)(Nc1ccc(I)cc1)c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl 587184869 GQSFUQUMMNCISE-UHFFFAOYSA-N 714.701 8.709 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324130 WDJMVODNJGVFRU-UIUNEJMPSA-N 547.420 7.148 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](Br)[C@H](Br)c1ccc(F)cc1)CC2=O 587467872 TWKUSZUJYQWQDU-DMTNHVFBSA-N 580.263 7.383 50 1 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C=C(C)[C@@H]1CC[C@]2(C(=O)OC(=O)[C@]34CC[C@@H](C(=C)C)[C@@H]3[C@H]3CC[C@@H]5[C@@]6(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 253635660 ZMESARQIUWPKLS-VJDKEUQESA-N 979.481 15.235 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@](O)(C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)c3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299810176 LZFFIZKRGIXYGQ-XFVMKKIJSA-N 712.877 6.854 50 1 KKGF CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCCCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 299871558 YQKJRFICRRJOFW-NXCFDTQHSA-N 525.605 6.380 50 1 KKGF O=C(O)[C@@H]1[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 587010053 FHNQBQHYVKEDDN-FMMZJVGLSA-N 665.904 8.613 50 1 KKGF N[C@@H](Cc1ccc(I)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587183545 DRTWOZCJMGCMCE-LBPRGKRZSA-N 568.147 6.830 50 1 KKGF 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CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356365147 GDMACCFXIAJTKG-KETZDFDJSA-N 653.999 6.548 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)C 2356368863 SNYMARVRECXDLV-VOTJZXGOSA-N 581.838 5.626 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356562933 JVPVHPBIUBBVLS-UBXXXVHLSA-N 831.059 6.233 50 1 KKGF CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]4(O)C[C@@H](O[C@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356573791 AMYSIWTVVYSJPA-GWKGDHFLSA-N 629.319 5.261 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@@H]2O)O3)[C@H]2CC=C[C@@H](C2)SS5)c1O 2356718751 FVDLGYMWJDQUNK-UUXGZVAJSA-N 819.051 8.243 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@]([C@H](C)Cc5ccccc5)(C#C[C@@H]3C=C12)CC4 2356810159 AWXFLAXBQFPQKU-IIQQVIRHSA-N 920.295 8.194 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccoc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 42765152 ZABSPJOXBSMZHR-BFPZXHAJSA-N 563.474 5.440 50 1 KKGF C=C(c1ccc(OCCCOc2ccc(C(=C)[C@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 42835205 QUBOVNLOOLVJRA-CZNDPXEESA-N 592.729 7.576 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Cl)cc1 45300491 DKKBLQLJHXEPQQ-WUFINQPMSA-N 516.380 6.874 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)COc1ccc(N(CCCl)CCCl)cc1 73390261 DXVAGWWNINMAJN-AXOMYGEFSA-N 577.593 5.950 50 1 KKGF Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ccc(Cl)c(C)c2n1 103204210 BLIDNVFVJHZLLP-CIWATKOJSA-N 592.136 7.538 50 1 KKGF CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 150349749 WKUVNTPFEZLHHF-DSBKDDJOSA-N 967.243 9.189 50 1 KKGF biogenic,in-vitro CC(=O)[C@]1(C(=O)c2ccccc2)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] 150362016 VPUPUKRASVGRSS-UQBPGWFLSA-N 637.740 5.880 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169313929 RQMMAKNVCFTEBS-FCVLPAGVSA-N 562.879 10.173 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 169358770 YATYPXRGTQGFLI-QTRRVAAQSA-N 578.878 9.873 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@](C)(O)c4ccccn4)[C@@H]3CC[C@@H]2C1 169851898 USWHBYHBYFGYTM-IGBJOLTRSA-N 511.867 8.338 50 1 KKGF COc1cccc(/C=C/c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)c1 587003162 OYSPSYUXDRVNOA-FNORWQNLSA-N 582.392 9.377 50 1 KKGF CC(C)n1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)c1Br 587005065 LORUXYIUGRLKPU-UHFFFAOYSA-N 588.032 8.557 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 587323802 UKTKUFRVJLDAFZ-RBBKRZOGSA-N 506.165 5.943 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@]13OC(C)(C)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]13C)CC2=O 587465616 JCSCKGHTYJPXOW-YCVHVNJXSA-N 631.181 6.383 50 1 KKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546856 KDYPBGOTXPURGG-PXDATVDWSA-N 529.561 6.729 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 587708352 BHRNKXPYBDPWOP-DYEAUMGKSA-N 533.930 5.631 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 587711803 MKFHALBAOCGJHL-HUTHGQBESA-N 549.122 6.799 50 1 KKGF CSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653689016 KOYOXMIPRHSLHY-GOSISDBHSA-N 526.833 5.060 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(/C=C/C(=O)N4CCN(c5ccccn5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653692162 YNYMLOKUCQLXNM-FQXNGUNESA-N 575.706 5.030 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCCCCCl)(c2ccc(Cl)c(Cl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085394 ZJVUYVBJQMDCRH-RCDGGPPNSA-N 835.117 10.993 50 1 KKGF Cc1ccc([C@@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 963099777 SRPYJQSXBUEEDO-JSXFGMRASA-N 616.599 8.245 50 1 KKGF Cc1cc([C@@]2(CCCCCCCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1F 963180330 PWCVBNNFWCNKGY-JTHBVZDNSA-N 506.367 6.838 50 1 KKGF CC(=O)N1c2ccc([C@@]3(CCl)c4cccnc4CCN3C(=O)c3cc(C(=O)c4cccc(C(F)(F)F)c4)c[nH]3)cc2C[C@@H]1C 963585371 USSWGJJGUFYKPT-GTJUCTONSA-N 621.059 6.138 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)N3CCN(c4ccnc5cc(Cl)ccc45)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1911581031 CNIDAEMCGMJCDT-NTPPIYFMSA-N 570.130 5.568 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)CC[C@@]5(O)C[C@H](NC(=N)N)CSSC3)O1 2356295282 YPWKKJCRGDZUJG-RHCGSSAOSA-N 682.865 5.240 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356351623 BGIIYQURWKWGFF-BGBKNRMFSA-N 797.090 5.600 50 1 KKGF CCCCCCNCOc1c2cc(c3c1OC[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 2356364759 XTLQEUWXSBOYRO-XQRMDCSKSA-N 781.098 6.401 50 1 KKGF CC[C@@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@@H](CSSC1)C[C@H]([C@@]1(C)C=CC[C@H](C)C1)C2 2356376727 WFDNBKYCWFAFGP-LNGHYLSRSA-N 548.902 9.904 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@@H](Cl)[C@@]2(C)CC[C@@H](O2)[C@@](C)(O)C[C@H]1O 2356411398 OAZCZMDHKJUCJE-PIONMEEYSA-N 719.400 7.492 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@H]2[C@@H]1[C@H](O)O[C@H]2O 2356421318 GBYQIIZDUSTWMM-BSXWBYKISA-N 608.904 8.156 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSSC[C@@H]([C@@H](C)O)CCc4ccccc4Cc4cc(O)cc(c4)C[C@@H](C3)C2)C1 2356439782 CLYXUWLNKQSFPB-JYEZJDPUSA-N 564.901 8.875 50 1 KKGF CC(C=CC1=C(C)CC[C@H](C)C1(C)C)=C[C@@H]1C[C@]2([C@H](O)O1)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O 2356583484 VKLHLMJHQATABJ-OTDQHHHBSA-N 500.720 5.804 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@](CCO)(C#C[C@@H]3C=C12)CC4 2356804276 ABESETDPHSYTIA-UARGTQSISA-N 846.169 5.697 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CCC[C@@H](C[C@]45CC[C@@H](O)C5)[C@H]3O)C=C12 2356833776 KJUVZYDEWNCVJF-OGJRTXQESA-N 900.261 6.866 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356841514 NJPUDJCMEOMTCY-LWGRNUDOSA-N 847.113 5.015 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(CO)=C2OC)[C@H]5CO)c1 2356843760 NPCTYBWFEWOHRC-XKDFBVNGSA-N 818.155 8.301 50 1 KKGF O=C(Nc1ccccc1Cl)c1ccccc1SSc1ccccc1C(=O)Nc1ccccc1Cl 29464169 QSFBOPNUGWYAHB-UHFFFAOYSA-N 525.482 8.297 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cccc([N+](=O)[O-])c43)cc2c1 49708780 CUUJCKOKECFPPI-INIZCTEOSA-N 537.960 5.061 50 1 KKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@H](Br)C(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 49867578 DYDPVOLWLHYCAX-JCZQHSLXSA-N 563.661 8.855 50 1 KKGF CCCCCC[C@@H]1[C@H](CO)C[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)CSSCC[C@]2(C)[C@]31CC4=O 85549501 QOZINMHYBYKTIY-UYGJBORSSA-N 533.848 5.869 50 1 KKGF biogenic,in-vitro Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)[C@H](F)Cl)cc2)cc1Cl 103204382 HRHINVAWTUYFRC-FQEVSTJZSA-N 536.765 7.830 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(C)s2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 118932883 NSWSWPQSYVIFLJ-AZAXWSLOSA-N 593.569 6.217 50 1 KKGF C=C[C@@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2c(OC)cccc24)OCO3)[C@@H]1C(=C)C=O 138795781 XXQZGCCUBVSBKJ-HYUVJKPGSA-N 557.599 6.858 50 1 KKGF CNC1(c2cc(O)cc([C@@H](Cc3ccc(O)c4c3CSSC[C@](C)(O)CNCO4)C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCCC1 150349816 FQMVMWJDBMAHML-VYAJLCLPSA-N 959.264 9.369 50 1 KKGF biogenic,in-vitro FC(F)(F)c1cccc(-n2c(SCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)nnc2-c2ccccc2Br)c1 587112742 MXLYRNBQNZSQJK-UHFFFAOYSA-N 735.318 10.304 50 1 KKGF CCOC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587191056 ONOAJTBRELWEPS-RNUAOJHQSA-N 633.830 6.772 50 1 KKGF CC[C@@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587498327 NARCYBIIMKXUPS-CLJLJLNGSA-N 508.873 6.722 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 587669651 FQHRGUXNWSQHHV-XYZCENFISA-N 570.920 6.244 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587717282 KXWQLRVUVFQQAO-MFACCCBTSA-N 681.058 6.865 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@@H](C)Cc1ccc(F)c(Br)c13 587742485 RRGGZUODUFFBRS-OUCVGCLESA-N 719.780 9.141 50 1 KKGF CCCC[C@H](CC)COc1cc(CBr)c(OC)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587875663 ZASMODAZLUZINZ-FQEVSTJZSA-N 583.394 7.397 50 1 KKGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)[C@@H](C)[C@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)O[C@@H]4O3 653764435 GRHCJFVXSWUEQO-IXTYISBNSA-N 696.637 7.724 50 1 KKGF O=C1CCC[C@@]2(c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1Br 962573321 QZUSMGDDUWUQAB-JUMFHWHPSA-N 561.432 5.054 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCCCCl)(c1cccc(Br)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676181 MIUZRJABGLAGJS-PMERELPUSA-N 638.952 8.617 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@H]3c3ccc(Br)c(CBr)c3F)c(O)c2C(=O)O1 962970462 QFOWFGDJAGMEIX-CYVZUXCRSA-N 681.736 6.185 50 1 KKGF CC(C)(C)O[C@@H]1C[C@@]2(c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1Cl 963043231 UINYXYOPMPCJAX-LIYLGVFKSA-N 582.043 6.615 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CCCCCCl)c1ccccc1OC(F)(F)F 963153452 VTRIDRHBRXIOAM-HXOBKFHXSA-N 549.011 6.331 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)c5cc[nH]c(=N)c5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@H]2[C@@H](OCCO)CCCC1 2356293271 LNXFZUKMRYQOAB-PEIWPIIDSA-N 792.077 6.174 50 1 KKGF CN[C@@H]1CSSC[C@](C)(O)CC[C@H]([C@H](C[C@H](OC(=O)[C@]23CCCC[C@@H]2CCC(=O)N3)C2([C@@H]3CC[C@@H]4c5c3ccc(O)c5OC[C@H]4CCO)CCNCC2)OC(C)=O)CC[C@@H]1O 2356349693 LTMFVICKYUJLDI-LNTSNUAUSA-N 890.219 5.458 50 1 KKGF CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C 2356383975 HFSJNSPDLDRBFD-KLAHBVDJSA-N 599.603 5.442 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@H](CSSCO4)[C@H]56)[C@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356387401 RUIXHNSGFOBLOG-WHQCOCFOSA-N 768.947 5.752 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)C=C[C@@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356392883 RVFYKXQFSWLLPU-HEMVOJJJSA-N 691.094 12.838 50 1 KKGF C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@@H](OC(=O)Cc2cn([Si](C)(C)C)c3ccccc23)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 2356435384 XNWIAGFLIBXWND-LUSCGSNMSA-N 698.243 7.647 50 1 KKGF 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CC(C)(C)[Si](OCC[C@H]1OC(=O)[C@@H](Sc2ccccc2)[C@@H]1CCO)(c1ccccc1)c1ccccc1 195154836 FGFRRSWQGLZUOT-FCEKVYKBSA-N 520.767 5.038 50 1 KKGF CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195460552 OTUWKKUTCWETKI-BFLUCZKCSA-N 574.823 5.012 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]12C 263611970 XRRHDGKBIMJRKD-GXJJTRPCSA-N 546.384 6.503 50 1 KKGF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC=C2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 299849152 ZDHZLSKPLHWFMW-RWNPZVOWSA-N 514.955 10.664 50 1 KKGF COC(=O)c1ccc2c(c1)c(NCC(C)(C)CNC(=O)CCC(=O)O[C@@H]1O[C@@H]3O[C@@]4(C)CC[C@H]5CCC[C@@H]([C@H]1C)[C@]53OO4)c1c3ccccc3nc-1n2C 473128003 XTEPLPSNQKFAEE-RPZOPUBESA-N 742.870 6.458 50 1 KKGF COc1cc(Br)c([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587497387 CFRDGFRKMCIOER-JOCHJYFZSA-N 510.222 5.601 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(Cc3ccccc3)c2c1 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CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SS[C@H]3C=Cc4c(ccnc4N3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356360910 REQNWSXGCMVWRL-TWEODUSOSA-N 848.100 9.036 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H]3C)[C@]12O 2356362076 AGTOZYFPMXFTIU-XODDUQTISA-N 837.290 10.291 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCCC4)C[C@H](O)[C@@H]3C)[C@@]12O 2356362251 DAHLNDLXPKWOBR-GPQAWHKISA-N 783.198 9.120 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1[C@H](CCCO)C=C[C@@H](C4=O)[C@@]512)NC(=N)NC[C@@H]3Cc1ccccc1 2356404848 YUXJHICQCMVDPA-APETZPGNSA-N 635.940 5.762 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(c3ccccc3)CCCCC2)SSC1 2356463012 LUTZEMGCOHRSRV-FEERPNRMSA-N 644.903 8.655 50 1 KKGF 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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCCCCC[C@@H](Br)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C 49784552 LVBCYMBGHTVSCQ-MMXANGAJSA-N 712.736 12.219 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 58498242 RTXKTKRGKVRWLV-HUHZZDJHSA-N 557.569 7.754 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(CO[P@@](=O)(O)Oc3ccccc3)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 96928800 PXOUNWSDRKZFHV-FBTODWDMSA-N 762.874 8.080 50 1 KKGF CC1=CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12 164144095 YWILZCJCOZQWNP-AVUAXDHISA-N 665.301 7.458 50 1 KKGF CCCCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 169371284 ACRMTHSZHIGDGF-VNJCIPTMSA-N 655.380 9.155 50 1 KKGF CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195460546 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CSN1C(=O)[C@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1N(OCc1ccccc1)C(=O)c1ccccc1 653746722 WGMCPGPJPFWENL-PTUXOGIPSA-N 500.737 5.733 50 1 KKGF COc1ccc2c(c1OC)[C@](c1c(Cl)cccc1Cl)(C(Cl)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673245 GOTQYIRZLRYBAX-VWLOTQADSA-N 593.256 7.775 50 1 KKGF CC[C@H](Br)[C@]1(c2ccccc2)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962932108 DRSZFDXZXWXNTP-NCIXESNFSA-N 612.904 5.716 50 1 KKGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc15 962955334 KLXMIDRTLWYNKF-WRVWHSGMSA-N 696.634 6.733 50 1 KKGF Cc1ccc(C(=O)[C@@H](Cl)[C@]2(c3ccc(C)c(C)c3)c3ccsc3CCN2Cc2cccnc2)cc1C 962993517 CAMAYWFOKFDFEI-JSOSNVBQSA-N 515.122 7.169 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccc(Cl)cc1 963069193 SFNOSGMBOYTBMK-RGOJQWAJSA-N 638.548 6.308 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1-c1ccccc1Br 963187522 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KKGF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587076142 JVUQRPKGQVSZCM-UHFFFAOYSA-N 526.712 8.071 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587327422 GGKBJBLCHBUPKD-IFMALSPDSA-N 545.710 6.733 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427940 LZNWPGUFAAWQLM-YGCWYALZSA-N 685.185 5.272 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 587670165 IGFQHBGKNKRVMY-XLFHBGCDSA-N 570.920 6.244 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 587673837 QRFNNSRIGGBJAV-ODCWNRFASA-N 529.247 7.055 50 1 KKGF COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689715 VGCAPTBCZJLWQS-BXUPLMHSSA-N 532.837 5.874 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(Br)c2F)N1 587725501 QOMAVTPLVYHGTG-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF COc1ccc(Cl)cc1C#CCc1c(CBr)c(CBr)c(CBr)c(CBr)c1CBr 587897963 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7.075 50 1 KKGF C[C@@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857568433 UAUMMOYJGOIAJU-MRXNPFEDSA-N 510.359 6.040 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1OC(=N)O 2356322894 CXYLXULFSYHSRC-IYIVVUQRSA-N 907.576 11.735 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356353184 JOWRNSPRQGHFFE-SHGBRSIHSA-N 871.213 6.477 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@@H](CCOC)C3)c2)N1 2356355573 GSZWBAPHWVGDJI-BTPWABQRSA-N 751.028 6.871 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(CO)C[C@@H]3CNC(=N)N[C@@H](C)O 2356362860 FPPDCRNEQBFPSV-REXMWEGLSA-N 967.397 5.827 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356368925 BESJMKYRTXDLSU-BDJBVKJZSA-N 817.215 9.315 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C2CCCC2)Cc2cccc(c2)C1 2356409436 JFIBJRBNUSOFDC-IQENXFQWSA-N 745.058 6.032 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc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c1ccc2nc3cc(Cl)ccc3c(Nc3ccc(O)c(CN(CCCl)CCCl)c3)c2c1 4367007 SOGWOIJINDOYHZ-UHFFFAOYSA-N 504.845 6.779 50 1 KKGF O=C(COc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12)Nc1ccc(Cl)cc1 13492715 XGMQPDHGMWABKZ-IPPBACCNSA-N 508.361 5.634 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@H]1C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O 42877353 AOSGMEAISQAECD-CJWPEDLKSA-N 513.458 5.131 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 44430780 CYPJKKBEVOGYIM-RDJZCZTQSA-N 514.423 5.003 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C=O)=C/CC/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=CC(=O)C=CC1=O 82190997 GULGQMRGJIGIOX-JAQZSTLASA-N 667.031 13.242 50 1 KKGF CNCO[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 85597404 OMMGDWIQASHXHV-XZOQPEGZSA-N 557.734 5.417 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccc(OC)cc4o3)ccc2[nH]1 95611926 FJKURHXGZPYFHE-OAQYLSRUSA-N 807.182 7.191 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](O)[C@@H](C3CCC(CCCO)CC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344042 NZIXMPPZCUGLMJ-JPXPXFNWSA-N 908.196 9.030 50 1 KKGF biogenic,in-vitro C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)C3=CC(=O)[C@H](C(=C)C=O)C[C@@]32C)CC1 169326655 POSQDGKQUKPECC-PHSBUBBKSA-N 911.190 8.400 50 1 KKGF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@@H]21 586962343 WNSCPNMKZIEKQT-UAOJZALGSA-N 507.550 6.915 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cccc(I)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054624 HGUXWZADMPKDHG-GDNBJRDFSA-N 533.200 6.946 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccnc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191708 VTLVQSOFSSQODL-KURQEFGWSA-N 641.651 6.752 50 1 KKGF O=C(C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCc1ccccc1 587202006 ABSFKZREQVKFCI-QFIPXVFZSA-N 555.525 7.321 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)CC2=O 587465109 ALZJPUFHXIMTGJ-LITSAYRRSA-N 526.004 5.964 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545904 SLQDWBFIOQMECN-SXDGJLEOSA-N 509.986 5.467 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 587669642 FQHRGUXNWSQHHV-HUTHGQBESA-N 570.920 6.244 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587670463 KPJUELBWGYBWAX-ZXOINBKBSA-N 637.340 6.047 50 1 KKGF Cc1c(F)ccc2c1[C@](CBr)(c1cc(F)c(I)cc1Br)NCC2 962381763 ZWUXHVQMPOGNEM-KRWDZBQOSA-N 557.014 5.425 50 1 KKGF C/C(NNC(=O)COc1ccc(Cl)cc1C)=C1\C(=O)c2ccccc2[C@@]12c1ccsc1CCN2Cc1cccn1C 962401909 XQCSNLFBBSSIQO-DMFZDPSVSA-N 587.145 5.520 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(Cc2cc(O)nc3ccccc23)N1C(=O)c1ccccc1 963446232 IPOIDJDUTPQBJE-QCDSWUKFSA-N 525.992 5.250 50 1 KKGF CCc1ccc([C@@]2(CCC(=O)Cl)c3c(ccc(OC)c3OC)CCN2C(=O)C(=O)c2c[nH]c3ccccc23)cc1 963806233 FXNPBUJPDYYRFW-YTTGMZPUSA-N 559.062 5.804 50 1 KKGF Cc1cccc2c1[C@](CBr)(c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963904091 ONMYIBIXFCVJGV-OSPHWJPCSA-N 603.388 6.077 50 1 KKGF COc1ccc(-c2cc(C(=O)NCCSSCCNC(=O)c3cc(-c4ccc(OC)c(Br)c4)[nH]n3)n[nH]2)cc1Br 1857608113 UOOCWHVWOYGVEF-UHFFFAOYSA-N 710.474 5.550 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CF 1857622012 FEJQUBQBRRMWJR-NIHOMJOISA-N 523.428 5.846 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356299586 FENRYQKTHDWIIE-VBFCMMGXSA-N 899.145 5.399 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356351209 SDHWUTZNWJGSLY-WEDVVPDASA-N 799.106 5.824 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@@]1(O)[C@H]2CCN(CCCOC)C[C@H]2C=C[C@H]1CCCO)C4 2356352603 XCTNISFAHXLNBP-MPGZNKCFSA-N 895.059 5.260 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356360801 OKVLXVQCRBBOQN-CXTKSJDPSA-N 997.330 9.686 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 2356360871 QFRWYUGDTDFVAP-BEYXZDBGSA-N 636.832 7.743 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H]3Cc4c5cc(c(c4O[C@H]3O)OCN[C@]3(CC#C[C@@H]2NC(=N)N1)CCC[C@H](Cc1cccc(O)c1)C3)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC5 2356364274 RWSWBSKUPXGNRH-OYDIDZIVSA-N 953.237 6.112 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN[C@H](CC)C1)C3 2356366116 AIZXGGJRMDDHHI-YHRGYMLESA-N 698.813 5.200 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCO)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356388930 YIGZEBATTSRTAO-FIMCAKNOSA-N 962.278 5.598 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 2356389615 AQZAOIHQVLJPQD-PFLJGIQBSA-N 689.259 11.216 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@]2(O)CCC[C@@H]4CN(CCCOC)CC[C@H]42)O3)O1 2356670021 XKVFNCDHZJREFT-JNMWYSIJSA-N 883.048 5.453 50 1 KKGF CC(C)=CCCC(C=CC=C(COCCO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)=C1CCCCC1 2356703169 PWSDVAHJMAKGGG-NCCXDUJKSA-N 598.865 6.691 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)C[C@@H]2O[C@]2(C)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 2356794553 LGGTUGXQWLUADZ-RJFHKUPOSA-N 603.635 5.200 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@@H](N)c4ccc5c(c41)CC1=C4CN(C=C4N=C1)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1 2356813558 CHZWNXVJSBOCSO-IKXCTNAYSA-N 805.079 7.125 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356818469 DUGLNGJLZBMMFZ-QIHVXQKPSA-N 743.992 7.106 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@H]1CO)N43 2356847986 PBJWUKPZQYQMLD-IKKWWYGBSA-N 764.063 7.154 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356861032 CZHATUBGFHUMKJ-RYOCRDEOSA-N 743.972 5.687 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O 85567750 XPBHSSKKEQQMDX-QBTUCEFZSA-N 710.911 7.591 50 1 KKGF biogenic,in-vitro COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 150593293 QUIVXFNIXLTLCE-OULQKLPGSA-N 668.875 6.812 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 195186653 LTLNAIFGVAUBEJ-VCTXYDEMSA-N 826.475 6.085 50 1 KKGF COc1cc(COc2ccc(C(=O)N/N=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2)cc(OC)c1OC 473149858 KOBZPRHIIXFIND-DPNNOFEESA-N 548.680 6.356 50 1 KKGF FC(F)(F)c1cc(Oc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)cc(C(F)(F)F)c1 587109231 CVKNKKRGFOOMHX-UHFFFAOYSA-N 548.377 9.717 50 1 KKGF O=C1CC=C(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)NN1Cc1ccc(F)cc1 587163423 LDHFVOABTGPBEJ-UHFFFAOYSA-N 527.288 6.400 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1C(C)(C)C 587319335 KXYDWQSAANEPIR-YRGZILHJSA-N 991.168 8.603 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCBr)c2c1 587621202 QIUMUXUXRJPWNP-UHFFFAOYSA-N 548.390 5.629 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 587673596 OPXYKDSYPHKVID-YEBMWUKDSA-N 515.220 5.854 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587689508 TWWMXLOHRKUBFC-WHDAMIPWSA-N 572.866 5.056 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(F)(F)F)cc1 587710826 FOMJDCJENKJOMO-JCQPUDPBSA-N 529.803 7.031 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 587716225 DMPIXMPDBSBGGY-SKLCBMLGSA-N 578.904 6.928 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@]1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@H]1C[C@H]3C[C@]12CC[C@@]3(C)CO[Si](C)(C)C(C)(C)C 653810041 QKZHOOPQJHWTJK-MYIDFECTSA-N 563.028 9.628 50 1 KKGF O=c1c2ccccc2c(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1-c1ccccc1 653851515 AOJGJJQDGOAOTB-UHFFFAOYSA-N 631.736 8.206 50 1 KKGF N#CC1=C(N)OC2=C([C@H]1c1ccc(OC(F)(F)F)cc1)[C@]1(CCC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963386 VSBGTGNDDOBSJD-RBJSKKJNSA-N 591.552 6.397 50 1 KKGF O=C(O)C[C@@H](Br)[C@@]1(c2ccc(Br)cc2)c2ccsc2CCN1Cc1cccnc1 963010371 NHQWMPXQKNUSSQ-IFMALSPDSA-N 536.289 5.446 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963191810 ZHMJASIFFBSBAS-QPPBQGQZSA-N 649.234 6.277 50 1 KKGF C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc([C@@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)s1 963219743 UHPPFICRUVDPRU-PYWABEAOSA-N 746.871 8.098 50 1 KKGF COc1cc([C@]2(CBr)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)ccc1F 963779498 VYGGOLOWEPTYTD-GDLZYMKVSA-N 581.438 5.239 50 1 KKGF N#CC1=C(c2ccc(OC(F)(F)F)c(F)c2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772644064 LRZYRLGXPZJBPX-NRFANRHFSA-N 570.383 6.700 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCCn4cc(CNC(=O)CCCC[C@H]5CCSS5)nn4)cc3oc2=O)cc1OC 1857634009 IGFJGWJFXLNUGB-SANMLTNESA-N 638.812 6.258 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)[C@@H]3C=C[C@H](c4cccc5ccccc45)c4c3ccc(O)c4OC)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356301251 RXFCAHWCRVDSRC-XGQVMNIWSA-N 942.213 9.065 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)[C@]5(CCC[C@@H](CC=O)C5)SSCCC[C@@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356309802 OGHIGAWPFFMXBZ-WISPERBOSA-N 778.986 8.014 50 1 KKGF C=C(CC[C@H](OS(=O)(=O)O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356339797 XPFSDJHOHZEAIC-GKHGOTEPSA-N 667.700 5.816 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1C[C@H]3C=C[C@H]1C[C@H]3[C@H](O)CC(=O)CC2 2356367350 AZHHIJCRZPADGX-UDDMVUFKSA-N 548.726 6.655 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356368930 BESJMKYRTXDLSU-YZFGZFADSA-N 817.215 9.315 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356432845 OKKHNYIDVWNDBX-PBQMKNPPSA-N 853.198 7.442 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)O[C@H]3CC[C@@](C)(OC3(C)C)[C@H](Br)CC[C@@]2(C)[C@@H](Br)CC1 2356472664 FBHKLQNKQDGXQC-XHMYXGOJSA-N 584.389 7.245 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCC1(O)CCCCC1)CC(=O)CC2 2356508942 VMLRIUPBSSBSJC-GKEAOQDSSA-N 987.335 10.125 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356673384 LUXKQPPRLHECLW-KTZIWSCRSA-N 854.237 6.166 50 1 KKGF CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)NC(=NC)NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](CC[C@H](CC)CC=O)C32CCCC2)C1 2356741174 RHRLCZYVSPXXLV-CWUGPNOTSA-N 979.404 10.867 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOCNC(=N)NC)C3)c2)N1 2356752879 AQTYFCNUFCNIEV-NTWLVUPFSA-N 798.089 5.778 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356776110 DQOPTFBDOREGQH-PZSFSJGYSA-N 838.238 7.193 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)[C@H]2NC[C@@H](c3cccc(c3)C1)[C@@H](C)N2 2356779059 KKTLSSHWAXMJBQ-UPGSABSLSA-N 701.993 5.013 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2cc(O)c(O)c(OC)c2)CSSC[C@H]1C1=CCN=C1 2356825661 HTNBJJWHTMYDEF-NRTAZHGZSA-N 521.701 5.299 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CC3=O)[C@H]3C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@@H](O)C2)C4 2356859370 STVBKEAOVKTLOC-IFULHNNOSA-N 969.372 8.479 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356868702 XEUVHGQQAXCQSX-ZYKOCOCDSA-N 715.938 6.470 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@H]4[C@@H]5[C@@]6(O)[C@H](O)[C@@]7(CC[C@@H]4[C@](CO)(O7)[C@@H]6O)Oc4cccc6c4C(=O)[C@@]4(CSSCNC7=CC(=C3CN7)[C@]15C2)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]4C6=O 2356872820 YDNPETZFZKBCTJ-IVCMKMDDSA-N 963.184 5.219 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 85594598 ZSDQGZXIJCXAIX-CEIQHQNBSA-N 741.976 7.703 50 1 KKGF biogenic,in-vitro COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(CCC[C@@H]5CC(C)C)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 85595596 ZWYHMJGDPAWSGN-UUZJCFRNSA-N 781.043 6.256 50 1 KKGF biogenic,in-vitro CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@H]1c1ccc(Cl)cc1)O[C@H]3c1ccc([N+](=O)[O-])cc1 96934107 FXFRYWPTFDGJNU-MSNAGZIKSA-N 528.945 5.571 50 1 KKGF COc1ccccc1/C=C/C(=O)c1ccc(OCCO[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 101741702 NYBKFIVYKYVEIV-NUZJJANWSA-N 564.675 6.195 50 1 KKGF CCCCC[C@@H]1SSC[C@@H]2C[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc3[C@H](N[C@@H]2CCCO)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSS[C@@]13CC[C@@H]2C[C@@H]3O 150347662 CWDJSEFLTPZVHP-AMQNKREFSA-N 1063.480 10.751 50 1 KKGF biogenic,in-vitro Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2cccc3cc[nH]c23)c1=O 170071045 USAGWBBUYZOBDV-RTYUGCIGSA-N 733.049 5.251 50 1 KKGF Cc1cc(CCC(=O)NCCNc2c3ccccc3nc3ccccc23)cc(C)c1O[Si](C)(C)C(C)(C)C 195452306 GMNIUCYLNVVSJS-UHFFFAOYSA-N 527.785 7.550 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(COC(=O)CCC(=O)O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253688010 MRMWPXILPFNNHC-OFRHIUSGSA-N 706.870 6.292 50 1 KKGF COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC[C@@H]2C[C@H]3C=CCO[P@@](=O)(O3)O2)cc1 254047115 UTSZXQPSRBHBFS-YLZRVCONSA-N 713.054 10.448 50 1 KKGF CC(=O)N1[C@@H](Cc2ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc2)[C@@](C)(C=O)C[C@H]1CCc1ccccc1 254077822 NQKRUOIDANURON-YZRKUJAWSA-N 521.818 7.611 50 1 KKGF CC(C)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC[C@@]2(O[Si](C)(C)C)[C@@H]3C[C@](O[Si](C)(C)C)(C(F)(F)F)[C@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@@H]3CC[C@]12C 299876744 GFDBWCVAEMTLDC-WRXFKRFBSA-N 761.168 10.858 50 1 KKGF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587114632 VXBSZKVRUYQNEP-VIFPVBQESA-N 509.260 8.348 50 1 KKGF O=C(Nc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)OCc1ccccc1 587320720 HFYUJSGQQWYKMO-POURPWNDSA-N 576.418 6.929 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537296 CLEFRCMJRYCVIC-QJGUAIBQSA-N 517.375 6.825 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587686211 BYDMYJCLEZCXBV-KEFSCGHKSA-N 528.893 7.090 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc13 587717662 LWCZHDWTJRGDGC-LQDNESKHSA-N 693.069 7.464 50 1 KKGF O=C(O)[C@@H]1Cc2cc(F)ccc2C(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)N1 962903502 MMCUBQRKZGJGHI-WBCKFURZSA-N 715.745 7.233 50 1 KKGF CCN(CC)c1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962925245 YLBPMUMXACNYAA-BDYUSTAISA-N 525.443 5.268 50 1 KKGF N#CCCn1cc([C@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 963034509 FNZFMHQGDIPHPW-BLPFIKBVSA-N 652.097 7.576 50 1 KKGF CC#C[C@@]1([C@H](C)O[Si](C)(C)C(C)(C)C)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963104731 UYYIXPVBOWSFMX-NAYANFAESA-N 615.890 8.619 50 1 KKGF COc1cc([C@@]2(CBr)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1[N+](=O)[O-] 963211430 BQHMJKPBZFGJJA-UBOZLPQGSA-N 749.483 6.024 50 1 KKGF Cc1cccc2c1[C@@](CBr)(C1CCC(F)(F)CC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841044 GENKQDIULUIFRP-HOYKHHGWSA-N 516.423 6.047 50 1 KKGF CCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772618512 IWIZOMWAHIZTOM-VPPNEQMJSA-N 675.819 9.352 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OCCN3CCOCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857760682 FFWUZZKNZOEBLC-KYIMJNNYSA-N 583.854 6.059 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SS[C@H]5C=CC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)C5)c(O)c(OC)c1O 2356359726 RGPVUBVHEWFNBM-QGEOIHTASA-N 736.905 6.437 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@H](CC)C1)C3 2356363549 MWDKXEUZJMZTKP-ZLNOJLQWSA-N 770.920 5.949 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@H]1[C@@H]2C[C@H]2CSSC[C@@H](C)NCc3ccccc3Cc3cc(O)cc(c3)C[C@H]1C2 2356372830 NDMKFIDVESFROG-UNXPWAERSA-N 670.085 11.154 50 1 KKGF NC(=O)[C@@H]1Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@@]34O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1 2356824089 GRWRLLPNZUSQIP-VRYRXJADSA-N 933.094 5.410 50 1 KKGF C=CC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(C)=C5C=O)C(C)=C4CCC(=O)OC)C(CCC(=O)OC)=C3C 2356832858 JWUKPMYNTDPUHQ-UHFFFAOYSA-N 590.680 5.911 50 1 KKGF CC1(C)[C@H](N(O)C(=O)Nc2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C(=O)N1CC(=O)N/N=C\C=C\c1ccc([N+](=O)[O-])o1 150628346 JTUXTPWYZXWOIB-YKIXMWKYSA-N 630.445 5.580 50 3 KKGF O=C(SC[C@H](CN1CCCC1)SS[C@@H](CSC(=O)N1CCCC1)CN1CCCC1)N1CCCC1 28872849 XFBDLGMKUXQTPP-SZPZYZBQSA-N 546.894 5.195 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802410 IWFSPOYAFLPPQD-FBNDGMMSSA-N 524.948 5.975 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 42765222 RKLDGEIKBMOFAU-XOMIGCEESA-N 563.474 5.440 50 1 KKGF Cc1ccc2oc(=O)cc(COc3ccc([C@H]4[C@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)c2c1 49709845 UDVOEWUKOOISDH-DQEYMECFSA-N 524.798 6.138 50 1 KKGF CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 73417943 GJRHITRDRUDSJP-AOIBOGJOSA-N 622.172 6.019 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@@H](c2ccc(NO)cc2)C=C[C@]5(O)C2(CCCC2)[C@@H](N=C(N)N)CSSC3)O1 85594363 VYSZNBZEIAAATA-ZVRPDGNYSA-N 734.941 5.977 50 1 KKGF biogenic,in-vitro CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 253632520 GFVXUJAOFLGABH-MLHSQWQNSA-N 581.464 5.388 50 1 KKGF COC(=O)CCOC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@H](Br)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299806006 OBZVIZJCEUAGPL-MHKCGJSHSA-N 621.697 7.773 50 1 KKGF CNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 299847857 UHTPRMJPEJTZFE-HIVXYOPWSA-N 647.850 6.404 50 1 KKGF CC(C)=CCOc1ccc2c(C)c(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(=O)oc2c1C 586918927 VLMDQVLICNVYMZ-UHFFFAOYSA-N 593.412 8.642 50 1 KKGF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587085986 AYCHMKPNAABKRZ-CLFYSBASSA-N 509.331 8.251 50 1 KKGF FC(F)c1nc(-c2ccccc2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587128449 MHXAUJOCRJJYLI-UHFFFAOYSA-N 532.304 8.711 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(Br)c(C)c3)c1C)CC2=O 587455847 GVNHPBTXYSJYJW-SANMLTNESA-N 516.863 6.923 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3ccc(-c4cccc(F)c4)c(F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587945335 MFFJECVMKKCJHA-PFXPKUJUSA-N 553.602 6.715 50 1 KKGF COC(=O)N(C)c1c(N)nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc1-n1c(O)ccc1O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 587945783 NTLMAFIBHHLSQR-RTCLCYATSA-N 770.819 5.944 50 1 KKGF CC[C@]1(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC(=O)c2ccccc2C1 587962190 VRCMQIIQUINFOU-HXUWFJFHSA-N 509.338 7.751 50 1 KKGF CCCCCCSC(=S)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCCCCC)CC2)CC1 653714255 JMKOLMXVOLGOCY-UHFFFAOYSA-N 643.164 7.370 50 1 KKGF COC(=O)Cc1ccc([C@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)s1 962479597 ZGYSGXKUWSKBQY-ZUKKLESISA-N 603.096 5.601 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCl)(c1cc(C)n(Cc3ccccc3)c1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962639732 WCUCBNDVKCROQM-JTSJOTPCSA-N 551.083 6.085 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CCl)C(C#N)=C3N(C)c4ccccc4N3C)c(O)c2C(=O)O1 962972436 RJEYNDYFLKJAGC-GDIRNEDPSA-N 647.515 5.054 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]34CCCCCC[C@@H]4Cl)c(O)c2C(=O)O1 962976333 VQVQHYXNOOJWDY-UOIBYOLJSA-N 546.447 5.456 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C 962991483 IXFYPZYGHFKAOK-WBBHLRKXSA-N 633.594 5.275 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CBr)c1c(F)cccc1C(F)(F)F 963061689 BWPHLDGMIBNDCZ-DYLHXGEVSA-N 615.418 5.962 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c1 963185503 RLMJDYSQBKMZAY-GTCCEBARSA-N 547.799 5.579 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCl)(c2cn(CCC#N)c3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963380769 MYVYQZHCSBXQON-ZGAWMTGXSA-N 646.143 7.092 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963862776 GVNBTERPTSTZOK-DHSFBBHASA-N 639.343 8.224 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3c(F)cccc3Cl)nc(Cl)nc21 963918238 XSTNIAOSKOYROS-XMMPIXPASA-N 565.274 6.260 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](COc2ccc(C(=O)Cl)cc2)(C(C)(C)C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963930330 YPCHPHZUOWVNID-MKAVLMNISA-N 714.350 6.523 50 1 KKGF CCCCCC[C@H](Cl)CCCCCc1c(O)cc(CCCCCC[C@@H](Cl)CCCC)cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 1772652751 NYUHMGANIQYFOK-KVNJHMRPSA-N 633.738 8.181 50 1 KKGF Cc1cc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(O)c1C(=O)O 1857536971 AVKCCAGALRWCOW-UHFFFAOYSA-O 611.783 9.063 50 1 KKGF COc1c(OCCCCCCCBr)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4 1857573202 OKDOFRDWKVFNLC-UHFFFAOYSA-N 585.535 8.078 50 1 KKGF CCOC(=O)c1c(C)cc(OCCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1857615766 TULIFUOFLHQZMT-UHFFFAOYSA-O 653.864 9.931 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@]54C)[C@]21O 2356723616 OUMKPVLWPZWKHY-SOUUEFQTSA-N 739.101 7.560 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NCCCCO)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 2356772969 NFLOEUQBEWZRCH-JHOSYJSESA-N 795.033 6.586 50 1 KKGF CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O 2356839346 LTMVZCWRFNDCOT-RCHVWZBNSA-N 915.235 7.924 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@@H](c2cccc(O)c2)SSC1 2356844022 NRTDFZWNXTXSHS-ARWUTRNESA-N 606.810 6.537 50 1 KKGF CC[C@@H]1C=C[C@]2(C3=CCN=C3)CSSC[C@H](c3cc(O)c(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@H]2C1 2356845473 OFEQRVHKEZTUCV-KMVWTOBCSA-N 545.723 5.466 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 27843413 SLMQCHQWMSSKIZ-HHMOXRITSA-N 623.775 6.948 50 1 KKGF CCn1ccc(=O)n2nc(-c3ccccc3)c(SSc3c(-c4ccccc4)nn4c(=O)ccn(CC)c34)c12 29408383 AFEJJFDHIPYZHE-UHFFFAOYSA-N 540.674 5.479 50 1 KKGF CN(C)c1ccc([C@@H](I)[C@H](I)c2ccnc3ccccc23)cc1 38142127 QRJLZGHIQSBNID-RTBURBONSA-N 528.175 5.953 50 1 KKGF C=C(c1ccc(Oc2cccc(C(=C)[C@H]3COC4(CCCC4)OO3)c2)cc1)[C@H]1COC2(CCCC2)OO1 42852496 BMSMGNRTIVOHFL-VSGBNLITSA-N 506.595 6.740 50 1 KKGF Nc1cc(CO)cc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)c1 43524385 ICZDGFLNACTAHJ-UHFFFAOYSA-N 527.496 6.145 50 1 KKGF CC(C)=CCCC(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 85544604 PWSDVAHJMAKGGG-NAYPPFEZSA-N 598.865 6.691 50 1 KKGF biogenic,in-vitro Cc1cc(C2=CC[C@H](OC(F)(F)[C@@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103203320 YZLFXWZFWSWTFM-YEJXKQKISA-N 520.379 7.391 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)[C@@H](CSSC[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)Cc1ccccc1 150616835 PSWMWFZRKCACRI-UYVQAEDUSA-N 865.130 9.027 50 1 KKGF O=C(O)[C@H](Br)Cc1cc(I)c(Oc2cc(Br)c(O)c(Br)c2)c(I)c1 169345461 MAEDWDCWVYEMCK-SNVBAGLBSA-N 746.753 6.309 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 169356986 MXZDFWPOJAPNJL-NGVADHBZSA-N 705.676 5.325 50 1 KKGF Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)O)c1=O 170171119 HSRHKBARXBESOI-YUZJIJRXSA-N 659.058 6.103 50 1 KKGF CC[C@H](NC(=O)[C@H](CS(=O)(=O)Cc1ccccc1)O[Si](C(C)C)(C(C)C)C(C)C)C(=O)c1nc2ccccc2o1 204350090 TWNNQCRTIJQSRR-IGKIAQTJSA-N 586.827 6.081 50 1 KKGF CCC[C@H](C)C[C@@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@H]1CCCCO1)O[C@H]1CCCCO1 205905610 WXQXQKMIIRXKKK-YARDIIJJSA-N 723.102 9.048 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cnc3ccccc3n2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253682431 CKPJCFKFLBFNMI-XTIKMMBQSA-N 625.549 5.790 50 1 KKGF COC1=C[C@@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@@H](C)O[C@@H]6C[C@@H]7OC[C@]8(C[C@@H](OC)[C@H](O[C@H]9C[C@@H](OC)[C@H](O)[C@@H](C)O9)[C@@H](C)O8)OO[C@H]7[C@H](C)O6)[C@]5(C)CC[C@H]43)C2)C1=O 255254152 OKQKFNTWEWCEEK-WIKTWINUSA-N 921.131 5.581 50 1 KKGF O=C(OC1CSSC1)c1ccc(OCCCOC(=O)c2cc(Br)ccc2Br)cc1 299861283 IDLGTFIMMKPSMC-UHFFFAOYSA-N 562.301 5.758 50 1 KKGF O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 586952343 IUAWNPPMECASHN-NDEPHWFRSA-N 664.678 7.779 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6cccc7c6c(c5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O 587103702 JVDOFOFCYTWQSV-KCDFVBBBSA-N 640.607 8.642 50 1 KKGF C[C@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 587319788 OECBUSNQJLZWBU-CYGIFTHKSA-N 820.357 5.501 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 587326990 NTDCVIZZYMUTJQ-IAPPQJPRSA-N 520.944 6.340 50 1 KKGF CCCc1c(O)ccc2c1OC(C(Br)Br)(C(Br)Br)CC2=O 587454311 WBFTWTDDIDSINK-UHFFFAOYSA-N 549.879 5.281 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 587669540 DVXVTZSBRBOWLF-XLFHBGCDSA-N 537.021 5.390 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 587674226 VADSWPBGCFUNOE-SGANQWHYSA-N 529.247 7.055 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 587716217 DMPIXMPDBSBGGY-GJEGPGMTSA-N 578.904 6.928 50 1 KKGF C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587819392 MFOGKJUONKDECQ-RTZIBZHISA-N 510.491 7.816 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 587847072 FOYNXYIXCNGNEE-WHLCRQNOSA-N 504.383 5.970 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCCCCl)c1cccc(Cl)c1 962982432 AMIZQAZRXIKWNN-SSEXGKCCSA-N 574.932 7.321 50 1 KKGF COC(=O)C(C)(C)[C@]1([C@H](C)Br)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963013344 IJSYZXYGQPNIRS-LWLGHBPASA-N 576.491 5.012 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](c2cccs2)(C(Br)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963032070 BPTWIPFZFKRFJY-FYBSXPHGSA-N 689.372 7.646 50 1 KKGF CN/C(SCc1ccc(F)cc1)=C(/C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963170419 AHYLBUXBWSDLHN-IQFLWDKISA-N 744.214 8.180 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@](CBr)(c2ccc(O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963205724 XQUPPJKXQRTDRT-FREGXXQWSA-N 574.427 5.884 50 1 KKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C=C(C#N)C(=O)[C@](C)(C(=O)N6CCCC6)[C@@H]5CC[C@]43C)[C@H]12 1772574258 WDXYTQYLINOPRH-HACYNSBMSA-N 544.780 6.684 50 1 KKGF CCCCC[C@H](C)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356291718 CADSCMIZGOKBFB-CVCXAMNHSA-N 916.263 10.373 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)[C@H]2CCC(C)C 2356349501 GUSRCACVHALBFZ-QVJSZMLXSA-N 789.162 8.602 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356367542 AWIKEZZZALCXLX-PXAOTYPSSA-N 997.330 9.858 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356369435 FZBJRXJWYUEFKN-MLWKCEDXSA-N 793.099 5.285 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(C4=NC(=CC5=NC(=C2)C(C)=C5C)[C@H](C)[C@@H]4CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@](O)(C(=O)OC)C(=O)C3=C1C 2356422131 GLAOJBLMSMCECB-ATCSTHQPSA-N 887.175 10.731 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(C4=NC(=CC5=NC(=C2)C(C)=C5C)[C@H](C)[C@@H]4CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@](O)(C(=O)OC)C(=O)C3=C1C 2356422134 GLAOJBLMSMCECB-VYYKVADYSA-N 887.175 10.731 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356524085 PQIPLOUNOJQDMR-SFONYPBESA-N 850.116 9.031 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O 2356616547 XPBHSSKKEQQMDX-IJIMJSDZSA-N 710.911 7.591 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356637872 IPELHZQWLAFYOX-VXUWZTSOSA-N 940.371 7.304 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(C)O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356750761 BTOQTBQYZOQAJA-FXPXDKQISA-N 614.867 6.994 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356768190 NEWUWPKROOQGSB-YXDKPAODSA-N 787.095 5.946 50 1 KKGF C[C@@]12CCSSC[C@]34NC(=N)NC[C@@H]3[C@H](c3ccccc3)CC[C@@H]4CCC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356768746 UWCFAEXKYVXXIZ-LAOFHXABSA-N 623.929 5.911 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356770924 LFFRSPWFUDRLRT-FBCUHZAQSA-N 882.158 8.639 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)[C@H](CCCO)CC[C@@H]2[C@@H](CC)N(CCCOC)CC[C@H]21)C4 2356773239 UHFGKTBTSOTHFS-SKJBZVTPSA-N 955.155 5.481 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CN[C@H](O)[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356865818 VLIIGAMMWJIJSU-JFLJFTKMSA-N 983.175 6.072 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN3CCN(c4ccnc5cc(Cl)ccc45)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 66098993 IKWZTSFYQPWHHW-RKZCKZPFSA-N 558.119 5.235 50 1 KKGF COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84711871 FCZWIFRLTMMIPN-DEOSSOPVSA-N 517.992 5.799 50 1 KKGF C[C@H]1CC=C[C@](C)([C@H]2C[C@H]3Cc4cc(O)cc(c4)[C@@H]4CC[C@@H](N[C@]5(C)CC[C@@H](SSC5)[C@@H](C2)C3)c2ccccc24)C1 103574410 VTDVUTFXOZHUIV-XLRRNSSESA-N 587.939 9.832 50 1 KKGF biogenic,in-vitro CNC[C@H]1C[C@@H]2C=C[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(C[N+]5=CC6=CC=NC6=C5)nc4N)-c4cc(cc(N)n4)CC[C@H]4O[C@]24C(=O)O[C@H]13 150345613 OXHAEOQZBPNJNG-IPROEQPWSA-O 887.077 6.121 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 150348689 RMSMYAKMOIBKLU-QVMCBUBMSA-N 879.247 8.348 50 1 KKGF biogenic,in-vitro CCN(CC)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 205483604 XZYCHOYOFXAVON-HZBNVGEHSA-N 577.733 6.034 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](C[C@]3(Cc4cccc(F)c4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253682999 CSXMYAHZUIGMRS-JYGDZUILSA-N 656.744 5.906 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCC[C@@H](C)Nc2cc(OC)cc3cccnc23)c2ncccc2c1 299825985 MNIBGMCDNUOAKK-SZPZYZBQSA-N 602.740 5.175 50 1 KKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586973506 KPWMPCHNRNCKHD-CQSZACIVSA-N 538.389 6.429 50 1 KKGF COc1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Br 586978225 ZGMFWKROLQKULA-HYXAFXHYSA-N 534.142 7.924 50 1 KKGF CCCCCCOc1ccc(Br)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586981694 LRYTUYWYRYGGSQ-UHFFFAOYSA-N 578.239 9.371 50 1 KKGF CCOc1ccc(/C=C/c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 587003790 SQRQFZFZWFAIHO-XVNBXDOJSA-N 675.315 10.530 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319584 CFSATHPZOHOFHM-LMSSTIIKSA-N 580.837 6.821 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C(Br)(Br)CBr)N1 587669507 DQRGFJKTQBTFPO-KGFZYKRKSA-N 508.849 5.045 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)ccc2O)N1 587674199 ULHZUTRUABCNBM-HUTHGQBESA-N 508.023 5.229 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 587687346 GBURQYZLGRKKCQ-QWXGXRTQSA-N 501.871 6.501 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587688667 MYFRMNNUGGCHKZ-MQWOPBJLSA-N 532.797 5.520 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)c2ncccc2c1 621430249 QKKUHWVCYBKMNM-HVNRJTRNSA-N 721.896 5.676 50 1 KKGF COc1ccc([C@@]2([C@H](Br)c3ccccc3)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1F 962406436 SBFFNKKTXCZEPU-GNNMJGRWSA-N 693.569 7.870 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1)(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962618027 DTPQPPLGRRHYHP-ZIWJUFKMSA-N 582.053 6.546 50 1 KKGF COc1cc2c(cc1OC)[C@@](C)([C@@H](Br)Cc1ccccc1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670715 HYZMKTPBWJHVRQ-BDYUSTAISA-N 580.416 6.782 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(c2c(C)n(C)c3cc(C)ccc23)N1C(C)=O 963329048 KJXLAMWQESDLFM-CXHSPEHRSA-N 789.307 6.081 50 1 KKGF COc1cc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857588935 JIYGBHLGWUXXAD-AATRIKPKSA-N 593.631 7.294 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356301134 REWLKWWXEBRXGT-GUWGPFIPSA-N 864.143 7.929 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356366084 ZGLHXDSQOOGGIK-URQMWDJDSA-N 722.118 8.251 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C=O)=C3CC[C@](C)(O)[C@]2([C@H]1O)[C@@H]3CCCO)CCC=C(C)C 2356435566 GJNUMDKBDYSSDZ-SJHRKJRVSA-N 576.865 5.961 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@@H]2C=CC[C@@H]3O 2356448451 DOJPNPCPVHCLLA-DWANQCJKSA-N 916.264 5.452 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(C)O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356750764 BTOQTBQYZOQAJA-UFIUEBESSA-N 614.867 6.994 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CC=C[C@@H]2CN(CCCOC)CC[C@H]21)C3 2356754208 NTYUIIQKNXCLAY-JXIBTDFQSA-N 766.888 5.337 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 2356766579 PIUVILCNMLVVPT-WJGIFUDGSA-N 664.842 6.881 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@H]4C1=C1C[C@@H](CC#CO[C@H]43)CC[C@@H]51)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356774945 FVMMVESVLZSFHQ-IJPGLIABSA-N 825.194 8.875 50 1 KKGF C[C@H](O)CN[C@@H]1CC[C@H](O)[C@H]2[C@@H](O)C[C@@H]3C(=C[C@H]2C#C[C@H]([C@H](C)Cc2ccccc2)C1)CCc1cc(O)c(O[C@@H]2C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]2O)cc13 2356841542 NJVVJXDCWVZOBW-JSAWOREQSA-N 939.298 6.116 50 1 KKGF CCc1cc(CC)cc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2cc(CC)cc(CC)c2)c1 29478071 ISDQUYUDYDGQMH-UHFFFAOYSA-N 568.808 9.240 50 1 KKGF CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43020495 ZAHQWXABSADFLA-BIOOTRGHSA-N 534.701 5.403 50 1 KKGF N#C[C@@H](C/C=C/c1ccccc1)NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 82185602 PWLUUNVMLOMYJW-TYOLEZHBSA-N 649.365 8.305 50 1 KKGF C[C@@]1(O)CCC[C@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(N=C(N)N)CSS[C@@H]4CO)O[C@@H]21 85594332 UXDVXSBLVRZNEZ-YGHYNHPRSA-N 821.031 5.578 50 1 KKGF biogenic,in-vitro CCCC[C@@H]1[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)CSSC[C@H]1C1=C[CH+]N=C1 85624604 RDRZVQFYGYJZNT-GIQJJWITSA-O 504.694 5.756 50 1 KKGF biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 95606317 ONYSZSAXTDHFPL-UHFFFAOYSA-N 855.126 14.254 50 1 KKGF Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907849 UIWWCWBVQFLCKB-HKBQPEDESA-N 587.630 7.426 50 1 KKGF O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cccc(Br)c2)o1 103185593 JAGFYKJQSKNKIK-VXKWHMMOSA-N 573.230 5.991 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)cc(Cc2cccc(O)c2)c1O 150343747 ZPOZSRMKOOJSFP-USPNUYSJSA-N 849.036 9.003 50 1 KKGF biogenic,in-vitro CNCCCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 150344191 GDEGNJLOSCDACH-UZKMEOMTSA-O 899.077 5.639 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@@H]2CC[C@@H]1C[C@H](O)CSS2)c1ccc(NCC(C)=O)c(CO)c1 150347731 XHKHKSSXYJREOX-DQDSKIHSSA-N 760.975 7.212 50 1 KKGF biogenic,in-vitro CCCCCCC[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621812 XCQVIBNYJYFVME-MHTWAQMVSA-N 674.961 7.861 50 1 KKGF C=C/C=C\[C@H](C)[C@H](OC(N)=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O)[C@@H](C)/C=C\[C@@H](O)C[C@@H]1OC(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C 299808504 MUSLLNFAFAEMNK-JOMXDTENSA-N 708.066 7.326 50 1 KKGF O=[S@](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 586961625 WKXNANBVYBVEGQ-WJOKGBTCSA-N 551.400 8.021 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587324166 WRPCYHAJYJXIII-IXCJQBJRSA-N 503.367 6.848 50 1 KKGF COc1cc2c3c(c1)O[C@](CCl)([C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587429473 UVWJVNLFSAUHOT-HPJWIMSGSA-N 509.961 5.097 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609442 VVEODGLSOHWYFZ-FJQKOURKSA-N 530.560 6.470 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C/C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 587789731 FPKAKRDFAAHLRS-IYJVGXQBSA-N 617.566 7.735 50 1 KKGF COc1ccc([C@@H]2N(C(=O)CCl)N[C@H](c3c[nH]c4ccccc34)[C@]23c2ccncc2C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962405455 QFTLMIRQIXGIBF-MBLAUFDZSA-N 754.243 7.095 50 1 KKGF C[C@]1([C@@]2(O)[C@H](Br)C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761944 IKBNORFGFGIHHH-IOPPMRAGSA-N 608.539 6.184 50 1 KKGF COc1cccc([C@@]2(CBr)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c1F 963862548 BQEKMTHRZYJOQV-CRICUBBOSA-N 522.411 5.418 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](CO[C@@H]1O[C@H](CNCCCCCCCCCCCCNC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)[C@@H](O)[C@H](O)[C@H]1N)OC 1772618292 DOHSYPPFRICJCF-DENPJBATSA-N 960.267 10.204 50 1 KKGF COc1cc(/C=N/c2ccccc2C(=O)NNc2ccnc3cc(Cl)ccc23)ccc1Oc1ccnc2cc(Cl)ccc12 1772648588 FRVPKXOTRCRFGE-OEPDXVHDSA-N 608.485 8.398 50 1 KKGF Cc1cc(NC(=O)c2cccc(S(F)(F)(F)(F)F)c2)cc(-n2ccn3nc(-c4cccnc4)cc23)c1 1857583150 MOONEVNPHKFNGV-UHFFFAOYSA-N 519.499 7.405 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@@]3(CNc3ccc(Br)cc3)CC[C@@H]2[C@]1(C)CO[Si](C)(C)C(C)(C)C 1857647083 DVLIQINAEKJQJS-VXHFMZPISA-N 676.765 7.658 50 1 KKGF NCC[C@@H]1CC[C@H](CC=CCCC2CCCCC2)[C@@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356310692 CWIGBLWUGFSPLI-JJDNZUIESA-N 652.023 9.625 50 1 KKGF CC(C)=CC[C@@]12C[C@@H]3C[C@@H](C(C)(C)OO)OO[C@@]3(C)C[C@@](CC=C(C)C)(C1=O)C(O)=C(C(=O)c1ccccc1)C2=O 2356332434 DWXZAOPXBPXHQB-GROAXGHMSA-N 566.691 6.676 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@]2(O)CCC[C@@H]4CN(CCCOC)CC[C@@H]42)O3)O1 2356413750 JPPFXHQGHYPVQB-UUBICAHESA-N 867.049 6.482 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356469604 UHFDAENQNSFKSB-WFSSXJPUSA-N 685.087 11.864 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H](CNC5CCCCC5)[C@H]([C@@H]5C=CC[C@H](C)C5)C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356478092 RJWFQKZMUZGJFV-FVCPFTHTSA-N 874.216 7.860 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H](Cl)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)=C[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@H](C)[C@H](O)C(=O)[C@H](C)[C@H](C)C=C[C@H](O)[C@H]2O 2356680731 SFTBIUYIRWPRME-MIUULZNVSA-N 931.686 6.896 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCC4)C3)c2)N1 2356735440 YFRNFMMGUABSCI-RULCGIDFSA-N 851.189 8.607 50 1 KKGF CCC=C(C)C[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@]2(C[C@H](OC)[C@@H]1C)O[C@H]([C@H](C)[C@H](O)[C@H](C)C=CC=CC=O)[C@H](C)C[C@@H]2O 2356743501 HIBXHLLAIDYISL-SXOHPGJVSA-N 564.804 5.233 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2C)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40447676 OXJUTGRGOJKXFT-KXZZPGAFSA-N 504.530 5.630 50 1 KKGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 42877246 JCIYFFNGTHMEDE-QBNJFISTSA-N 529.888 6.298 50 1 KKGF CCCOc1c(C(=O)N/N=C(\C)c2cccs2)sc(C(=O)N/N=C(\C)c2cccs2)c1OCCC 49710934 PPMJWOSJRBWVNQ-RYQLWAFASA-N 532.713 5.757 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1ccccc1 85549350 GVLLLPMUJRUAKT-WZWGNTHGSA-N 666.010 6.843 50 1 KKGF biogenic,in-vitro CCCCCCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCCCCCC)c(C)c2C)nc2ccccc21 95561038 PQNNVLYBULWVHI-UHFFFAOYSA-N 769.117 10.215 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOP(=O)(Oc3ccccc3)Oc3ccccc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105348 HBKGGIZSXOWDEU-KGOARNGWSA-N 544.581 6.910 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c2ncccc2c1 103250428 XZEARABLJNDBNV-ALNKTXGASA-N 567.727 5.581 50 1 KKGF COc1cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c2c1C(=O)NNC(=O)c1c(OC)cc(OC)c2c(-c3ccc(Br)cc3)c[nH]c12 150605547 TYHXBXVWANMUEW-UHFFFAOYSA-N 748.428 7.617 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)OCC(COC(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)COC(=O)c3cc[n+]([O-])cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169305064 KMFWXHCWCVOMJA-HEZKWCNDSA-N 960.036 5.242 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 195170784 JTXHATPLRKWRIJ-UKHYQQATSA-N 525.436 5.580 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4csc(Cc5ccc6c(c5)OCO6)n4)cc3O)sc2c1 299833605 YYSJEUAZTCHKMV-ROPCREHHSA-N 644.779 6.354 50 1 KKGF O=S(=O)(Cc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 586921461 ITMDYKXTXOFTAY-UHFFFAOYSA-N 553.372 7.624 50 1 KKGF O=S(=O)(NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Cl)nc1 586942344 KDZGCKFNGQEPKX-UHFFFAOYSA-N 541.749 5.552 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 586975676 HNGMZPBFQRWYHW-UHFFFAOYSA-N 596.257 9.314 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056183 KGUIUOYNETXPDR-CPNJWEJPSA-N 556.475 5.362 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587327753 HGWYNDJHXCMMTH-UNMCSNQZSA-N 513.256 6.339 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Br)C[C@H](NC(=O)OC(C)(C)C)C3)c1 587358113 OVSQOINIDIAARI-UZLBHIALSA-N 523.427 6.932 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)CC(=O)c3ccc4c(c3O1)CCCC4)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587536860 XNSAEUOAHYMSFW-WSNKOMCFSA-N 939.193 7.499 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 587673158 KXWVIPKASMNSIY-FVINQWEUSA-N 549.065 6.723 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)N1 587673636 OVTDVRHJVHTZQM-BQKRCXSJSA-N 523.671 7.156 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br 587676967 JJMKEEQGULFFGU-JBEBIEQOSA-N 554.729 7.083 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl)N[C@H](C)Cc1cc(Br)c(F)cc15 587722411 YKCFFGMSCYLCCG-FPNBUGEASA-N 624.994 5.904 50 1 KKGF COc1cccc(-c2cc(O)cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 587933579 RESIBUWUHSBOEH-UHFFFAOYSA-N 521.305 8.031 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CBr)c3c(F)ccc(C(F)(F)F)c3F)c(O)c2C(=O)O1 962935077 LOAPXYAODYFUNO-DREWKAQPSA-N 688.827 6.234 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCCCCl)c1cccc(Cl)c1 962982428 AMIZQAZRXIKWNN-PMERELPUSA-N 574.932 7.321 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(c1ccc(C(=O)OC)s1)C(Br)Br 962989729 GTNDHDUQGSZBDB-HHHXNRCGSA-N 685.818 6.223 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(/C(C#N)=C/C=C\c1ccc(OC)cc1)C(C)(C)C 962991954 WCGCUSYNVAFPLU-WIANWMCGSA-N 613.154 7.428 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1ccc(Cl)cc1Cl 963138532 GSRPLJDUDHJHFD-LIRRHRJNSA-N 522.248 5.335 50 1 KKGF Cc1ccc([C@]2(CCCCCCCl)N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)Cc3ccccc32)cc1 963701767 IRRWWXTXUTYKMO-OLWNVYNHSA-N 549.111 5.460 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c(F)c1 1772636084 MNADUIAWZUPDHD-JOCHJYFZSA-N 516.413 5.810 50 1 KKGF O=C(N/N=C1\SCC(=O)N1c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2cccc([N+](=O)[O-])c2)n1 1772637615 NXGWXTDCBUJUMM-QVTSOHHYSA-N 522.546 5.072 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CC[C@]5(CCC[C@@H]5CCO)C4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356300691 ORAGVSHRFNUSCK-GABLWQINSA-N 887.086 5.174 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1OC(=N)O 2356409646 OHWUDMVJYPQYDU-IRKJLVCPSA-N 986.472 12.456 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSCC6(CCCCC6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@H]41 2356449268 HEKMSWFVVODRDD-ZFSQVSOBSA-N 866.204 5.059 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356620219 KIBJUROKXFXBRB-FUAZAKLFSA-N 883.224 6.843 50 1 KKGF CC(C)Cc1cccc([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@@H]24)c1 2356666418 LTPNJETVPNYTTJ-WAGMHJMBSA-N 680.037 7.109 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)[C@H](CCCO)C=C[C@@H]2[C@H](CC)N(CCCOC)CC[C@H]21)C4 2356758984 XKGCLTAKPDPXGK-RVHPXWFHSA-N 953.139 5.257 50 1 KKGF CC[C@@H]1C=C[C@]2(C3=CCN=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@H]2C1 2356836280 KZFHRKCUFLMZKM-IWIFXLGUSA-N 529.724 5.760 50 1 KKGF CN1C(=O)[C@@H](NC(=O)[C@@H](c2ccc(F)cc2)[C@H](CBr)c2ccc(F)c(F)c2)N=C(c2ccccc2)c2ccccc21 26385354 CSMPMUWMPYWLEP-SHFQUTHWSA-N 620.469 6.323 50 1 KKGF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27630490 TWZKRJLLJZQDEF-LJQANCHMSA-N 565.848 5.295 50 1 KKGF C=C(CC1([C@@H](NP(=O)(c2ccccc2)c2ccccc2)[C@H]2C[C@@H]2CCN(C(=O)OCC)S(=O)(=O)c2ccc(C)cc2)CC1)c1ccccc1 72154462 VBYQSVIQXIMCFH-ZWGRPSGYSA-N 696.850 7.939 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccc(F)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84654515 JVFFDHAZXVIGAF-DQTSHQJUSA-N 561.620 5.060 50 1 KKGF O=C(Nc1cc(-c2ccc(O[C@H]3CCCCO3)cc2)cc(-c2ccc(O[C@H]3CCCCO3)cc2)c1)C(Cl)Cl 95563709 DWHHYIRNBAFNEO-NSOVKSMOSA-N 556.486 7.574 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 100774142 COQAPWLZSHQTKA-ANFKOHQQSA-N 544.644 5.627 50 1 KKGF endogenous,in-man C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(CSc3ccccc3)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 169299443 WGCNZQWLOJKYLP-UEYBVYMMSA-N 692.923 6.636 50 1 KKGF CCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 253795421 ZYVYKCLKFGRXRO-VYPQOLPPSA-N 604.737 5.714 50 1 KKGF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586936282 PCPGPSRWJUDRBS-UHFFFAOYSA-N 509.320 5.665 50 1 KKGF Cc1c(F)cccc1-c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc([N+](=O)[O-])c1 587135999 UXNDCDVBMICBEN-UHFFFAOYSA-N 552.294 8.673 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 587319558 CCSANSHQBFCKCU-RBBKRZOGSA-N 506.165 5.943 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O 587492826 CGEMMZKMPLKBGD-LJAQVGFWSA-N 524.082 6.680 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587616967 IFARVLCIQWGYIU-NGQVCNFZSA-N 593.488 7.158 50 1 KKGF CN(C)c1ccc(N=Nc2ccc(S(=O)(=O)N3CCC4(CC3)OOC3(O4)[C@H]4CC5C[C@H]3CC(OS(=O)(=O)c3cccc6c(N(C)C)cccc36)(C5)C4)cc2)cc1 621432778 WRSUGXCJYGRVEH-MRZHLEANSA-N 801.988 7.527 50 1 KKGF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](CCl)(c1cc(Br)sc1Br)N2C(=O)OC(C)(C)C 962706681 KTRLDVANEIIMNG-DHIUTWEWSA-N 623.766 6.546 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CCl)(Cc2cc(O)nc3ccccc23)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962709082 JVDMAMVKXKSULO-FPCLRPRSSA-N 697.182 6.734 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1c(F)ccc(Cl)c1Br 963047410 PNEPWPUGZIYRRO-HXUWFJFHSA-N 514.620 5.583 50 1 KKGF CC(=O)N1CCc2cc([C@]3(CCl)c4cccnc4CCN3C(=O)c3cc(C(=O)c4cccc(C(F)(F)F)c4)c[nH]3)ccc21 963587681 XEVYJHOSRGFYMX-WJOKGBTCSA-N 607.032 5.749 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccccc1)(c1cccc(CBr)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808128 ODLPCNUCTCDLMD-UMSFTDKQSA-N 609.520 6.640 50 1 KKGF Cc1cccc2c1[C@](CCl)(c1ccc3c(c1)NC(=O)CS3)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863021 MHBIDZYBIGHTBE-DWXRJYCRSA-N 517.047 5.158 50 1 KKGF O=S(=O)(Nc1ccc(-c2csc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)n2)cc1)c1c(F)c(F)c(F)c(F)c1F 1857634559 SLSUKERXHWZQJO-RPUDKEGQSA-N 664.509 7.036 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@@H](O)C2CCC(O)CC2)CC[C@H]1CCN 2356314487 ONEXWUZTIISBCH-ZPHVDXKKSA-N 744.073 6.144 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3[C@H]3CC[C@H]2CCCSS3)c1 2356370784 SZWMIKZYBRSUCU-OXODQJPJSA-N 702.939 8.173 50 1 KKGF COc1cccc(CCc2cc(O)c(-c3c(O)cc([C@H]4OO[C@H]4c4cccc(OC)c4)cc3OC)c(OC)c2)c1 2356374746 DTEMQMGQWQAFOF-AJQTZOPKSA-N 544.600 6.329 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356376317 RLYIEGNMERETJC-IGSFQCKKSA-N 843.203 7.360 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356395954 YSZWKXRRCFZDNI-ZSZRRZMASA-N 705.333 10.483 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSCC2(CCCC[C@@H](O)C1)CCCC2 2356487889 PUSINBLSNZZADU-CUQHTPSRSA-N 993.434 11.965 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356543247 MVYQDRXIUYDZFI-UPBRSSTKSA-N 894.294 8.805 50 1 KKGF COC[C@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(C=CC[C@@H]2O[C@]3(C[C@H](O)[C@@H]2C)O[C@H]([C@H](C)C[C@H](C)[C@H](C)[C@H](C)[C@H](C)C=C(C)C(C)=CC=CC(C)=CC#N)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C 2356695348 DDLAOQXXRIYRDI-JVAFRAHRSA-N 989.242 7.860 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@@H](C)O)C2)Cc2cccc(c2)C1 2356752519 VZWVMLMHTGQJCQ-KYMJTCKHSA-N 996.384 6.169 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@@H](C2CCCCC2)CSSCNC2=CC(=CCN2)C1 2356825464 HSLLZIKPJWDFAK-VJCWJJGNSA-N 646.919 7.987 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@@H](O)SSCNC3=CC(=CCN3)C2)CCCC1 2356837830 LNNLRSZKMBUXHB-JKLBOIQBSA-N 674.929 7.306 50 1 KKGF CC(=O)O[C@@H]1c2nc(cs2)C(=O)O[C@H](CCC[C@H](C)Cl)[C@H](C)C(=O)O[C@@H](C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C 2356841476 NJCRSCPKMAXMKK-LNARHQNUSA-N 631.169 5.167 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CCCC[C@@]4(C#C[C@@H]3C=C12)C[C@@H](c1ccccc1)CC[C@@H]4CO 2356851432 QHMVKCWAAALCIW-HTNPTQJCSA-N 994.374 7.888 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356862175 UXPHRPGUJZEXIR-OJHHADDVSA-N 933.339 8.618 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc(Oc3ccc(NC(=O)CCCC[C@H]4CCSS4)cc3)cc1)O2 27435487 ZEMGGJPBVMOZPW-GVYVVWIYSA-N 620.837 8.485 50 1 KKGF O=C1N(Cc2ccc3ccccc3c2)[C@H]([C@@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccc2ccccc2c1 29327081 IWCTZCOKGIQLPE-KQQMQGIYSA-N 669.663 8.778 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O 85511119 WNFHXGVPGGNTOH-NTNDPCFESA-N 748.913 5.015 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@@H](C[C@@H](O)CSS1)[C@@H](O)CC(=O)CC2 85597410 OJAWUJDHXHVGPL-UNKRFLAVSA-N 540.703 5.776 50 1 KKGF biogenic,in-vitro CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)CCCOC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 95549023 OLBRUINDIWQMQU-FIXQGQQZSA-N 793.058 13.847 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 118922715 QDLRLYPWXMVZLU-CZKVOMOXSA-N 577.501 5.830 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118932887 GFVXUJAOFLGABH-YKQZNMERSA-N 581.464 5.388 50 1 KKGF O=C(CI)Nc1ccccc1Cn1c2c(c3ccccc31)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@]1(CCN3CC1CC1)[C@H]2O5 150542644 YIHYNCPOLFRJAB-JQGOHGDASA-N 687.578 5.468 50 1 KKGF Cc1ccc(S(=O)(=O)N2C[C@@H](CCCO[Si](C)(C)C(C)(C)C)N(C(c3ccccc3)c3ccccc3)C[C@H]2C)cc1 170186833 NRMPNMJREQCJAD-GRKNLSHJSA-N 592.922 7.650 50 1 KKGF CCCCSC(=S)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCCC)CC2)CC1 212338402 ULKOOOJVIZUDLI-UHFFFAOYSA-N 587.056 5.809 50 1 KKGF CC(C)(/C=C(/C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCC1 224310709 CUHOEUVRFGXWRM-LFPSXHGSSA-N 580.668 5.105 50 1 KKGF CCCCCCCC(=O)OCC/C=C/[C@H](Cl)[C@H](O)[C@@H]1OC(=O)/C=C\C=C\c2nc(oc2C)/C=C(/C)CC[C@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O 238743412 NUFYUEFOFGVVLM-PZRGQWBTSA-N 691.218 5.888 50 1 KKGF C[C@]12CC[C@@H]3[C@@H]([C@H](Sc4ccc(NC(=O)CBr)cc4)CC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 253780546 LCFDGVXDFUKBGU-FXRMADBSSA-N 530.528 6.192 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299874039 ATVYEGCIKFTINA-RMCOAMAOSA-N 701.005 8.775 50 1 KKGF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCOCCOCCOCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 473121806 GVZUOGNXTGQUNE-JVSOITSBSA-N 739.954 7.946 50 1 KKGF Cc1cn([C@H]2C[C@H](n3cc(-c4cc5ccccc5c5ccccc45)nn3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473136692 UGENQOYLNBXOFN-ZGIBFIJWSA-N 583.765 6.373 50 1 KKGF Cc1cccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587189257 AJNLPMWPKSXMOX-YPROJUKYSA-N 575.794 6.903 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1ccccc1 587327320 PCELICMIEFYAIQ-UHSQPCAPSA-N 518.972 5.827 50 1 KKGF COC(=O)c1ccc([C@@]2(C(Br)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587373327 IKHCHNDBLPHXGT-PGRDOPGGSA-N 570.230 5.750 50 1 KKGF COc1c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] 587672490 GHTALJWMNVFLIP-AYLIAGHASA-N 536.623 5.640 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 587682912 DZVXEQVLBPDOMQ-ZYNUUPFYSA-N 528.293 6.138 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689534 UDUNDJLGOFYJON-ASHKIFAZSA-N 577.878 5.586 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 587737877 HYCDJDLODKQLMX-DEIDBIQASA-N 670.445 7.627 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CCCCCCCl)(c2ccc(F)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962564829 BLWYRSAYURVPHQ-BNHMMOKISA-N 631.119 8.053 50 1 KKGF CCC[C@]1([C@@H](Br)CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962673897 LJXGRMKMJUZEMW-RDPSFJRHSA-N 528.409 6.590 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2c(F)ccc(Br)c2F)N1 962693402 FXFVEQYBDXFORW-CXAGYDPISA-N 547.087 5.123 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CCl)c1c(-c2ccccc2Br)[nH]c2ccccc12 963070105 LGTHNHOJIUIRKQ-IYKVEEHISA-N 679.011 7.559 50 1 KKGF COc1ccc([C@]2(C(Br)Br)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963189418 OYJZXLHRDUGYRQ-ZOYWYXQUSA-N 697.376 6.917 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccc(C#N)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857548049 NUCRJBJAPXZISN-CCHHXFQESA-N 607.479 5.274 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)O[C@H]([C@@]4(C)CC[C@@H]([C@@](C)(O)C[C@H](Cl)[C@@H]5OC5(C)C)O4)CC[C@@H]3O2)CC[C@H]1Br 2356328885 LAGSZTCWDHVZKN-ALVNHYKLSA-N 622.081 6.447 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2C[C@H]3CC[C@@H]4CCC[C@@]4(C2)C3)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356577893 VYRWBBKFTONUEP-XEYFSPJMSA-N 864.276 7.439 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)[C@H]3CSSC[C@H](CCO)[C@H]4[C@H](CO)C[C@H]1CC1=C3C(=O)C[C@]142 2356703095 LQMDFJMHSFIIIB-RFXXECCBSA-N 778.235 7.318 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@@H](NC1CCCC1)c1cccc(CO)c1)CC(=O)CC2 2356752311 XQXMYDPXOIVRBT-TUYDZOLPSA-N 701.951 8.992 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCC3(O)CCCC3)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C 2356775568 NHNMGQOAZVFFMM-XKURVFKSSA-N 540.785 6.283 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356859816 TYURCRUTCSFJIZ-BWHJAQAASA-N 907.301 8.448 50 1 KKGF CN1[C@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N=C=S)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 26741912 JMJGIYCCSJPVKZ-ICYKMPLBSA-N 548.655 6.442 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3CC(=O)O)c2)cc1 27769100 SBKRXRBSYULDPT-CUBQBAPOSA-N 533.650 5.337 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc4c(c3)[C@@H]3CN(C(=O)C5CCCCC5)CC(=O)N3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 82155185 BUWWZYCBIYIKIG-NLMYFLKESA-N 635.802 5.114 50 1 KKGF COc1cc(O)c([C@@H](/C=C/c2ccc(O)cc2)C[C@H](CCc2ccc(O)cc2)OO)c(O)c1C(=O)/C=C/c1ccc(O)cc1 85948878 MPNYQBPECDEHJJ-UCLDVTQQSA-N 598.648 6.797 50 1 KKGF biogenic,in-vitro CC1(C)O[C@H]2CC[C@@]3(C)O[C@@H]([C@](C)(O)CC[C@@H]4OC(C)(C)[C@H](Br)CC[C@@]4(C)O)CC[C@@H]3O[C@]2(C)CC[C@@H]1Br 195911243 HQWJZHVIHPJUEI-JEKRXEKZSA-N 668.548 6.586 50 1 KKGF C[C@@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@]2(C)CC3(C[C@]12C)OCC(C)(C)CO3 221739423 MHFHYQGOAXDJGC-XQQDTOEMSA-N 506.803 6.547 50 1 KKGF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(C)C)cc1 586933778 XKUBLPWRZUBPOE-SFHVURJKSA-N 605.449 6.295 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587234207 XUWYLBHTJLYZQR-CMPLNLGQSA-N 506.335 7.144 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(NC(=O)c3sc4ccccc4c3Cl)c1C)CC2=O 587492830 CHNIXKCJKQZCQX-MUUNZHRXSA-N 557.499 7.115 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 587673349 MDZPMXHFHKDTLL-RMPCCCKDSA-N 579.392 7.223 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587854652 RQQGFFARHYDXPI-NRRJATNASA-N 595.365 7.275 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c2oc3c(Br)c(O)c(Br)cc3c(-c3ccc(N=C=S)cc3C(=O)O)c-2cc(Br)c1=O 587895414 DSPSETHJSXDUMT-UHFFFAOYSA-N 866.165 9.008 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc(Cl)cc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632094 RCYZJQWFQMYNID-ZBKIVJSUSA-N 597.495 6.279 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@]2(CCC3)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962924896 IEEONPUHWKHYQV-GXXFZFQXSA-N 601.659 6.433 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@H](c2ccccc2CCBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963182709 CUGFPQMXZNXDHA-YTMVLYRLSA-N 572.455 6.567 50 1 KKGF Cc1cccc2c1[C@]1(C=C(C(C)(C)C)C(=O)[C@@H](Cl)[C@]1(Cl)C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963832434 QDAMIRDBQSZUHD-MZHQCJMDSA-N 566.566 7.013 50 1 KKGF COc1ccc(C(OC[C@H]2O[C@@H](n3cc(C)c(O)nc3=O)C[C@@H]2OP(O[C@H]2CSSC[C@@H]2OCc2ccccc2)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 1772586161 OKKQBSKAJFVDDH-HVYIZCKESA-N 916.112 9.667 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1cc(Cl)ccc1Cl)c1ccccc12 1772604179 KEGMFKGFQRKPDT-BHVANESWSA-N 667.516 6.743 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccs2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 1857533769 VHUICZOJPGXDGF-UEHZOSPRSA-N 579.542 5.909 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc23)cc1 1857579736 ISOXQDJRTFFLOQ-UHFFFAOYSA-N 912.832 5.017 50 1 KKGF CCCCCCCCCCCCSSCCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCCSSCCCCCCCCCCCC 1857613377 XDHIQTMVZJGHNB-UUWRZZSWSA-N 808.240 12.602 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356295965 YZIPDHDRTCJNLB-TVDBJMKESA-N 727.949 7.144 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(CCO)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@@H]2O)O3)C5)c1O 2356356926 OKYYCYDLMBRMFX-LABWQJMVSA-N 837.066 7.606 50 1 KKGF CC(C)Cc1cccc([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@@H]24)c1 2356470712 DUOQAXQZZWOCAC-HTCRHUFISA-N 678.021 6.885 50 1 KKGF CC(=O)NC[C@H](I)CC(C)=C1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@H]1C 2356490488 KGBSGBJFEOXATN-CEQPDZBZSA-N 623.616 6.746 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)[C@@H]1C=C2C(C)(C)CCC[C@]2(C)OO1 2356652908 UUDZWPOVNSESPO-PUAPYOPTSA-N 568.886 11.749 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(CO)=C2OC)[C@H]5C)c1 2356806089 AEUVQXWHNYHEBP-HIQZWACCSA-N 802.156 9.328 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356826842 HKSMCUJWMDONAI-XGHGTZLDSA-N 967.308 7.994 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@@H](O)C1 2356830565 JJQOIXZVHDLFAQ-MDGBBKROSA-N 885.121 6.088 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)C2(CCCCC2)SSC1 2356835463 KSBQODKANFJYEP-AFJIDDCJSA-N 556.794 6.087 50 1 KKGF O=C(NCCc1c[nH]c2ccccc12)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8829586 JAMBXNGZNZANBX-FUWNPBJGSA-N 533.612 5.723 50 1 KKGF Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN)CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 28826822 HPZPQXBIIPRIRD-QPTVKYMWSA-N 681.963 7.261 50 1 KKGF CCCCc1ccc(S(=O)(=O)CC2=NC(C)=C(C#N)[C@@H](c3ccccc3C(F)(F)F)/C2=C(\O)OCC)c(C)c1 43799611 GPDUZALRUJDCOP-FMIZDUHGSA-N 560.638 6.972 50 1 KKGF COc1ccc(Cn2cc(/C=N\NC(=O)c3c[nH]c4ccc(Br)cc34)c3cc(OC)ccc32)cc1 82157745 YACARGXOGVCCPS-YNFMAFFXSA-N 531.410 5.715 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@@H](C)CCC(N)=O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCC[C@H]1C)OO3 139121041 UWQSQZOQRFSXSE-BDDPWPQISA-N 633.823 6.143 50 1 KKGF O=C(NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl)c1ccc(CO[C@H]2C#CCCCCC2)cc1 150533665 NKKYIVUTQBQCOV-GLAVYMFISA-N 834.863 7.768 50 1 KKGF O[C@@H](CCl)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1 169290710 DLNHKQIOTRJLQP-FDDCHVKYSA-N 545.907 7.244 50 1 KKGF CN(C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)N/N=C/c3c(Cl)cccc3Cl)cc2F)ccn1 169345162 PBWANJSBMWSJFA-AMVVHIIESA-N 557.417 5.296 50 1 KKGF Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2cccc3cc[nH]c23)c1=O 170071040 USAGWBBUYZOBDV-GOOWFHEASA-N 733.049 5.251 50 1 KKGF O=C1[C@H]2C[C@@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl 263593315 BCRRQTMYMQMOAZ-SDBMFUTPSA-N 833.172 8.276 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299818539 SBWFAIGFKMBQFX-SDRZIKAUSA-N 798.421 5.306 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299843843 ORSKCTIDJPPMJJ-WFPOUEBUSA-N 898.538 6.320 50 1 KKGF Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C(=O)CCl 587326005 JDMJTKIXAIKPLY-VPUSJEBWSA-N 501.381 6.371 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)[C@@H]1c1ccc(F)cc1 587328113 ITJCBMVYVXKURL-XMSQKQJNSA-N 531.246 6.478 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 587685641 AHGKFOAQVKYXEO-ODCWNRFASA-N 524.305 6.919 50 1 KKGF O=C(NNc1ccccc1)c1cc([C@@]2(c3ccccc3)c3cccc(F)c3CCN2[C@@H]2CCSC2)c[nH]1 962698033 CNHJKBPTMMLTDX-HLADLETHSA-N 512.654 5.566 50 1 KKGF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1C[C@@H](Br)[C@@]21N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963549237 JEPAULPTEBSUEF-QBYIKMEKSA-N 568.508 5.350 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc(Cl)c(-c4ccccn4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772599154 FYBFXVILVGDINR-WSGLMESZSA-N 513.034 5.981 50 1 KKGF CCCCCCCCCN(C(=O)CCl)c1cc(C(=O)Nc2cccnc2Cl)cc(C(F)(F)F)c1 1857651195 NYDFCMAMSQKDEY-UHFFFAOYSA-N 518.407 7.329 50 1 KKGF C[C@H](CCC(=O)Nc1ccc(C(=O)N/N=C/c2ccc(C(C)(C)C)cc2O)cc1)[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 1857762789 XRJNPTUPVZVRNZ-SAPFVWHKSA-N 701.949 6.770 50 1 KKGF CNC1(c2cc(O)cc([C@H](Cc3ccc(O)c4c3CSSC[C@](C)(O)CNCO4)C(=O)C[C@@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCC1 2356299599 FKUKPHUITRXNCN-WUDMRUIZSA-N 946.245 9.193 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356351901 HQGVPHMVZWUMPX-MWRFOCJKSA-N 871.307 10.486 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 2356486147 GTYAYTGQTNZBGS-ZQFYGLHZSA-N 698.243 7.736 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(C[C@H](CO)CCCO)CC7)[C@H](O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356624403 CFHNOLDBMDPFHI-SIJVGTBHSA-N 966.276 9.028 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(CCC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356730184 NAFNUTQSAMGUFA-KEWLUYAWSA-N 928.264 7.552 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CCC[C@@H]2CN(CCCOC)CC[C@@H]21)C3 2356772569 BWGPDNSPIHWCMR-MKVLIUKRSA-N 812.957 5.313 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356809395 AQMSGNQNWKMEBK-GCQKSATGSA-N 939.210 5.670 50 1 KKGF C/C(=C\C[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 28257667 JJTXYVOUNQSSNW-KRSABTGPSA-N 587.636 5.989 50 1 KKGF NC(=O)N/N=C/[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 95615899 ZQXSBIBXWYGDNS-SRVWVMEASA-N 751.848 5.077 50 1 KKGF N#C/C(=C(/O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])cc1 101176899 OOSWKOFCCZQJQW-PXFXIREESA-N 531.568 6.537 50 1 KKGF CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@H](n3c(C(=O)c4ccccc4)cc(O)nc3=O)C[C@H]2O[Si](C(C)C)(C(C)C)O1 254135405 OTUWKKUTCWETKI-USZFVNFHSA-N 574.823 5.424 50 1 KKGF CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C 586919688 HOQIOEVPBJLBOC-PDWYOMGYSA-N 761.835 10.943 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(Cl)c2Cl)[C@@H]1c1ccc(F)cc1 587328760 CLIFXAYNCVKEOG-GCJKJVERSA-N 514.149 6.627 50 1 KKGF CCC(=O)OC[C@@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)CC(=O)c2ccc3c(c2O1)CCCC3 587506674 LIWFWDQFMDTXJT-JLAVPVDSSA-N 697.240 6.360 50 1 KKGF COC(=O)c1ccc([C@@]2(C(Br)Br)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611099 FJKZQBCFMXYLMN-IIBYNOLFSA-N 554.212 5.213 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)N1 587673637 OVTDVRHJVHTZQM-ILFDSTAHSA-N 523.671 7.156 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 587684462 WWIMYQSRGDUXQT-JCQPUDPBSA-N 540.702 6.775 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc2c(c1)OCO2 587689765 VTJLPIROFBLRQG-SXBQZSJRSA-N 519.842 5.800 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 587710158 FPLYTCCLDKLNEE-XLFHBGCDSA-N 549.122 6.799 50 1 KKGF CCC(CC)[C@]1(CCl)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962474827 LOZHLHMUSCWZFM-PDDLMNHVSA-N 519.041 6.212 50 1 KKGF CC(=O)N(C)Cc1ccc([C@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963038428 SOAGTBXTNULTIH-YYFXGUOYSA-N 645.102 6.686 50 1 KKGF Cc1ccc2c([C@]3(CCl)c4cc(F)c(F)cc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c[nH]c2c1 963043050 TXROKDBHCZBBRA-LDNVYYCDSA-N 613.060 7.497 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)C(C#N)=COc1ccccc12 963166434 XHYJCSFMIGEIOT-DYKQPOOOSA-N 590.683 6.010 50 1 KKGF CC(C)(CBr)[C@H]1c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963240574 QUKRWTADRKFCRQ-BKMJKUGQSA-N 640.443 5.931 50 1 KKGF Cc1cc(C)cc(-n2nncc2CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)c1 1772623647 NDUVKTQEHRUKBY-KXQOOQHDSA-N 626.680 6.053 50 1 KKGF C[C@@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857566845 AXMNSIBKVHBADH-MRXNPFEDSA-N 510.359 6.040 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@H](CCNC)Cc2cccc(c2)C1 2356354937 AVESQOFIRGERKA-FFQMLTPFSA-N 718.036 5.132 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 2356369187 WAOKXHBQRKUUDK-ROIUFGAMSA-N 892.153 7.923 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@H](CSS[C@H]3C=C[C@H]12)C4 2356369745 HVPQVVHCBIQMRP-GHUMLJFZSA-N 705.895 7.328 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C=O)[C@H](CCCO)C[C@@]3(C)O)COCC#CCC(C)=CCC1 2356371532 LDQNLPZZUAQZKQ-SFASIBQPSA-N 580.806 5.380 50 1 KKGF C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1C(=O)OCc1cn([Si](C)(C)C)c2ccccc12 2356514805 NDLCJCPSGOOLEC-WCDZDMCASA-N 698.243 7.852 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356580381 POBGPCVUKBTWEA-JNWQUJNNSA-N 781.091 6.282 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@H](C)[C@@H]54)[C@H]3CC[C@@H]2C1 2356699469 UZOSLJNYISOLSY-ZNLUIKKISA-N 549.546 5.837 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356806646 AHGQQBHWWWDJIH-DNERJEHASA-N 784.013 6.457 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(CCCO)C(=O)O[C@H]1C3 2356835991 KVZFKQRXEYLFNC-PKPJTXJLSA-N 824.982 5.360 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356846836 OQVOWBVIJIZBAB-YWSDPXPRSA-N 967.176 6.753 50 1 KKGF COc1ccc([C@](C#N)(CCCCCN2CCc3cc(OC)c(OCCCl)cc3C2)Sc2ccc(C)cc2)cc1OC 26272517 XJJRDDRVPIDPGW-UUWRZZSWSA-N 609.232 7.768 50 1 KKGF Fc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(F)c2)c1 29396252 XYWWPSSNZRTEQB-UHFFFAOYSA-N 566.872 6.526 50 1 KKGF CCCC[C@@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CCCC)NC(=O)c1ccccc1 36176359 FNQYNLSBEYGVCO-CLJLJLNGSA-N 536.713 6.086 50 1 KKGF CC1(C)CC[C@]2(C(=O)n3cnc(C#Cc4ccccc4)c3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 72132829 FWEFIVXVAHGKKF-HNBUAPDFSA-N 641.856 8.143 50 1 KKGF C=C(/C=C/C=C(/CO)[C@H]1[C@@H]2CCC[C@@]3(O)CC/C(=C(/C)C=O)[C@@H](CCCO)[C@]3(C2)[C@@H]1O)CCC=C(C)C 85567174 HYNPLMAIRBIORJ-AHTBXNBKSA-N 512.731 5.360 50 1 KKGF biogenic,in-vitro COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@@H](C)CCSSC[C@@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 85567745 ZYMGTIJCAMODMS-HMPJMJHNSA-N 682.901 8.332 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 85594602 KEXABOOLVFICPY-SZAKCUIVSA-N 772.002 6.949 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCOP(C)(=O)OCCC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95535661 SXPTTZIWJVEDKY-IIDIQLQXSA-N 712.858 7.904 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]23[C@H]4/C(=C(/C)C=O)[C@H](C=C[C@]4(CCO)CC[C@@]12O)C[C@]3(O)CCNC)CCC=C(C)C 103574647 BBFLMUKBZQMGCW-YHPISQSDSA-N 579.822 5.116 50 1 KKGF biogenic,in-vitro C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C(=O)N/C1=C\C(=O)OCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 195352733 OEBNAJPLMMUBAG-IJVAAYCNSA-N 511.535 5.808 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cc(F)ccc4F)cc3)c3c(N)ncnc32)C1 217011473 YYXRGQMMWYCFKY-PRWBYUBPSA-N 541.562 5.169 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299842842 YCOIJPSIDUQDNN-BTPWNVGVSA-N 812.448 5.694 50 1 KKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccc(F)cc3F)c(-c3ccc(C(F)(F)F)cc3)c2C)ccc1O 473092084 RRTQOTMEIRVLDN-JJKQSNDFSA-N 530.453 5.623 50 1 KKGF O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c([N+](=O)[O-])c1 587266804 PAZLDFXXVGMLSQ-UHFFFAOYSA-N 629.561 5.758 50 1 KKGF COc1cc(Br)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587320893 HLTGOHYHXIBFFK-UPVQGACJSA-N 566.217 5.960 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587332694 JQLAXIPCEIGZPD-PDDLMNHVSA-N 515.943 7.312 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)CC2=O 587455769 FPNODBKBWSUZOX-LJAQVGFWSA-N 548.433 6.433 50 1 KKGF O=C(Nc1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)OCc1ccccc1 587499437 NBCVUIMIJKGOJG-NDEPHWFRSA-N 520.423 6.570 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2Br 587537185 BPBMSVXSVKAKBL-SZPJKTGUSA-N 522.233 5.687 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 587541327 AZPSSYBPMAUSOH-LBNVMWSVSA-N 503.938 5.624 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)[C@H](Br)C(=O)c2ccc(Br)cc2)cc1 587897932 APOQFITVVXVDGW-QFIPXVFZSA-N 546.642 6.340 50 1 KKGF O=C(O)CCCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587957211 IHEQCQIKXBLVSE-UHFFFAOYSA-N 535.417 8.901 50 1 KKGF CC1=C([C@@]2(C)c3ccsc3CCN2Cc2cccnc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)O)N1 963001029 XXIBXIVSBASTDF-SHQCIBLASA-N 518.664 5.224 50 1 KKGF 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50 1 KKGF CC(C)/C(Cl)=N\OC(NC(=O)P(=O)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F 73295014 NATGWUKLXSZRBK-MUFRIFMGSA-N 514.790 5.756 50 1 KKGF O=C1C=C(CCCCCCCCCC[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)C(=O)c2ccccc21 84619172 LRAFZPWABVRSNR-UHFFFAOYSA-N 613.680 8.914 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#Cc3cccc(C#CCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309818 CBELVZDBGLOPGP-HGYBXZQSSA-N 718.884 6.839 50 1 KKGF C#CCCCO[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 211568087 CBYULYCCRFLIQH-VZNYXHRGSA-N 509.763 6.386 50 1 KKGF C[Si](C)(O[Si](C)(C)c1cccc2sc(C(=O)N3CCC(c4cccc(CN)c4)CC3)cc12)c1cccc2sc(C(=O)N3CCC(c4cccc(CN)c4)CC3)cc12 224022277 HUNBWFBTHACFDP-UHFFFAOYSA-N 831.269 8.614 50 1 KKGF in-vitro C[C@H]1CC[C@@]2(C)C(C=O)=CCC[C@@H]2[C@@]1(C)C[C@@H]1O[C@H]2O[C@@]3(O)[C@H](O[C@@H](C[C@@]4(C)[C@@H](C)CC[C@@]5(C)C(C=O)=CCC[C@H]45)[C@]34CO4)O[C@@]2(O)[C@@]12CO2 255226608 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CN(C)C(=O)CCCCCCCCCC[C@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](C[C@@H](Cl)[C@@H]3O)[C@H]12 49768127 IFFJFFGUYVZDEJ-MDYVUIDNSA-N 518.182 7.042 50 1 KKGF C#Cc1nccn1C(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 71318907 NRBMMFSDPLCPFY-RDTOLKQASA-N 565.758 6.724 50 1 KKGF CNC[C@@H]1CC[C@@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1CCC(C)C 85595585 RNSOXIUYHBTONR-LCGSIDMBSA-N 798.074 5.311 50 1 KKGF biogenic,in-vitro CCOC(=O)CN(CCSC)NC(=O)c1sc(SC(C)C)c(C#N)c1-c1ccc(Cl)cc1 103301057 LPEPBSYBHBIPCP-UHFFFAOYSA-N 512.122 5.314 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CCCCC1)OO5 118930078 YEHJSRMXSFVFQI-RAISQODSSA-N 576.771 7.043 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3c(F)cccc3F)cc2F)c2c(N)ncnc21 211015408 WBPYSPBQYMHIEC-RLGUWMIQSA-N 559.552 5.136 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C\CBr)[nH]c3cc21 586972767 BEFMPFKHRSOLMU-ARJAWSKDSA-N 575.371 5.390 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 587337732 OQEXDFGBQQIXNX-IRLDBZIGSA-N 508.714 5.629 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587353985 ONFUSGIRDQFQEQ-HSDWDAQHSA-N 995.188 7.859 50 1 KKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 587377109 QOCAJALUZLUHON-YTMVLYRLSA-N 522.041 7.154 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(Oc3ccc(C(C)C)cc3)c2c1 587618760 UFXYNVJUYCMFRK-UHFFFAOYSA-N 530.002 6.540 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c1c(Br)cc1n[nH]cc12 587622324 JYSPJHXIVXVJFU-UVDGLUPBSA-N 717.032 6.716 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 587715416 BVMGAANPBUIABJ-JCQPUDPBSA-N 545.802 6.911 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](Cc2ccc(F)cc2)NC(=O)OCc2ccccc2)N1 587735340 PLUPUTQVMKOUMV-OVEGOBCQSA-N 563.870 6.233 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587830299 DPPYXMKHCXBFEA-JKCIPMAQSA-N 981.047 7.548 50 1 KKGF CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O 587939586 GVCBUIUXBJIAKF-HZMZWCLISA-N 813.386 5.216 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587951428 ZQWOICIRAVMIQD-UHFFFAOYSA-N 505.306 8.366 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(O)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1 653804894 HAMGTESFMAHJJV-XICOUIIWSA-N 587.652 6.291 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962475568 OPUOOFRURDAQMD-BQUQFXLMSA-N 639.001 6.464 50 1 KKGF N#Cc1cc2c(nc1O)CC[C@@H](Br)[C@@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962576467 UKJQDDSUZXUQAM-GOGFDQBKSA-N 637.490 5.268 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)([C@@H]1Cc3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668040 AXYIXFLCKHKVTD-KCWPFWIISA-N 560.410 6.351 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CBr)c3c(F)ccc(C(F)(F)F)c3F)c(O)c2C(=O)O1 962935080 LOAPXYAODYFUNO-SWBLSWEMSA-N 688.827 6.234 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(C)c1ccc(CBr)cc1 963061286 ASKXLVNTDQIVLD-BCQCSXDESA-N 543.458 5.324 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177586 OEMCMSAXFUNXGR-WSVKNQHVSA-N 774.371 7.848 50 1 KKGF Cc1cccc2c1[C@@](CBr)(c1ccc3c(c1)OC(F)(F)O3)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963913188 AOYPYAZBZQPKCY-MZNJEOGPSA-N 554.384 5.592 50 1 KKGF CCCCCCCCCCOC[C@@H]1CN(C(=S)SSC(=S)N2CCCO[C@@H](COCCCCCCCCCC)C2)CCCO1 1772582261 YPSCMNQUKHHZAR-MEKGRNQZSA-N 693.164 9.434 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857536363 WHNMVMVUDUIUPP-PFZSTXPUSA-N 774.103 11.322 50 1 KKGF COc1cc2nc(SCC(=O)Nc3ccc(C)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857544726 YKOVSBNWSXJALN-SNAWJCMRSA-N 580.497 6.695 50 1 KKGF C[C@](O)(CS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857611930 DFAMFPCYVZXRTB-INIZCTEOSA-N 571.480 7.165 50 1 KKGF O=C(CCCc1ccc(C(CCCl)CCCl)cc1)NCCNC(=O)c1ccc(-c2ccc(C3=NCCCN3)cc2)o1 1857629588 JQZRFZSNHGULTM-UHFFFAOYSA-N 597.587 5.897 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCCC6)c(=O)oc5cc1O2)[C@H]43 2356313644 PIHJOTODNOHHKJ-ZANGJWNTSA-N 927.199 6.179 50 1 KKGF CCCCCC[C@H](Cl)CCCCCc1c(O)cc(CCCCCC[C@H](Cl)CCCC)cc1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 2356334820 NYUHMGANIQYFOK-LZJCAEMKSA-N 633.738 8.181 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356350323 ZUZGPHNUFQLOEK-CFOJBSJTSA-N 815.067 8.352 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](c2c[nH]c6cn(cc26)[C@@H](O4)[C@@H](C#C[C@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@@H](O)C1 2356352790 BHPJUHRJMWNEQT-ZSRDLXKUSA-N 941.229 8.448 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@@H]2C=CC[C@@H]3O 2356374571 ZKHFRNBGXVLPAD-QMKXIROOSA-N 974.388 7.542 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H](C(C)(C)O)O3)O1 2356443363 JGLSJPDQQYTORX-VVFBEHOQSA-N 669.771 6.145 50 1 KKGF C=C(CC[C@@H]1O[C@H](C(C)(C)O)CC[C@]1(C)O)[C@@H]1CC[C@@H]2O[C@H]([C@@H]3CC[C@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356569272 WENCEJQJQNEFLN-IPFTVKQVSA-N 573.609 5.599 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356621180 QXYNSIJOQYJLMB-LTYDHLJASA-N 873.147 8.495 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C2CCCCC2)Cc2cccc(c2)C1 2356686824 ULMKSLODOSVGDG-XBDDBOKFSA-N 783.107 6.444 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356702845 VWTHUPHZZBEJGK-OETDXHEFSA-N 744.127 6.524 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCCC[C@H]2CNC)Cc2cccc(c2)C12CCCC2 2356715712 PIXSGLHIOYCJGE-IVOLIXKASA-N 996.428 7.624 50 1 KKGF C[C@]12CC[C@H](OC(=O)c3cccnc3)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(=O)c3cccnc3)CC[C@H]12 2356736955 DKNFYEFBCLXZNI-UYUZIHABSA-N 512.654 5.751 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC 2356756315 QMUKZXOQSABDPR-LPKGPWRKSA-N 757.211 9.594 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C2=CCNC(=C2)NCSSC[C@@]23C(=O)c4c(cccc4C(=O)[C@@H]2C=C(Cc2cccc(CO)c2)C=C3O)O[C@H]2O[C@@]3(CO)CC[C@@H]1[C@](O)([C@@H]3O)[C@H]2O 2356815966 CXEZPBDYIIMGEH-GMEJFICISA-N 953.189 5.753 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@]1(Cn3ccnc3)CCN[C@@H]3NC=C2C=C31 2356819191 DZXGPXWWFSWXMV-DMEPPPFWSA-N 618.825 5.534 50 1 KKGF CNCc1c(O)c2c(c3c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 2356838886 MEEMUWMUIJCHGZ-VGCPLQTPSA-N 945.217 7.521 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356843556 NNCIVVPOVFNIGV-UHGQEVTDSA-N 959.377 9.325 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC 5923018 JXLIAWMDERFVAR-HXUWFJFHSA-O 633.125 6.344 50 1 KKGF CC(C)(S)CCC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(OP(=O)(O)O)c5ccccc65)cc4c3)cc2c1 95573132 ZINJYGJHAXFIKG-JOCHJYFZSA-N 760.209 7.936 50 1 KKGF Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cccc(F)c2n1 103203140 YECBJLZJRBZDQW-SATJYTAGSA-N 561.654 6.715 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)[C@@H](CSSC[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)Cc1ccccc1 169343953 PSWMWFZRKCACRI-KDQUBTEHSA-N 865.130 9.027 50 1 KKGF C=C(C[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169358347 KOUAFSJVPQQUPD-WSJDYEDTSA-N 588.782 6.824 50 1 KKGF COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@@H]([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CC(C)C)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 195277291 BVFMGPWCJXAUNM-YXYUKMCPSA-N 892.297 5.286 50 1 KKGF CC1(C)CC[C@]2(C(=O)NC3CCCCC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 473122002 INAGXBXHTYAGHE-INFDGNIISA-N 572.834 7.655 50 1 KKGF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5c(Br)cc(S(F)(F)(F)(F)F)cc5[nH]4)[nH]c23)cc1 586953663 PWQMZHLLGWBBHK-UHFFFAOYSA-N 623.423 7.941 50 1 KKGF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CBr)ccc21 587538079 MZOBWPFMCQMTIK-RBJSKKJNSA-N 513.343 5.737 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 587557371 NBJFUERUDYWGGT-IGKIAQTJSA-N 512.364 6.688 50 1 KKGF CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587686749 XCXNSYZFDPGXAD-VOSKJTCUSA-N 681.039 6.679 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl 587688005 JLEBCRARRHKTPP-SFDCACGMSA-N 530.696 7.319 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccc(F)cc1 587737424 XMYZXZMXUQYHPR-VNKLMVNQSA-N 508.838 5.972 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(c1ccc(Cl)c(Cl)c1)[C@H](Cl)C(=O)c1ccc(Cl)c(Cl)c1 962396387 GQWPMGOBKHMPBD-KAYWLYCHSA-N 598.810 8.492 50 1 KKGF Cc1ccc(-c2noc(C)c2[C@]2(CBr)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962566223 DWZZHORKSNMCLL-JRYPVQGPSA-N 664.556 7.252 50 1 KKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@]2(CCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962646734 TXMZMMBARRQGIF-ZWXJPIIXSA-N 540.063 6.363 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c1 962700603 KEIMJHXGRSYDTQ-CNNODRBYSA-N 531.344 5.065 50 1 KKGF C=C(C)[C@]1([C@H](C)O[Si](C)(C)C(C)(C)C)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963016732 LNPBEMNEYNIOCB-VEVKCIFTSA-N 553.175 7.155 50 1 KKGF C[C@H](Cl)[C@@]1(c2c[nH]c3ccccc23)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963197786 OFINKFUFNTUPKC-NZPDRISOSA-N 567.041 6.892 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(C(C)(C)C)cc1)c1c(NC(=O)CCl)sc2c1CC[C@@H](C)C2 963642599 ZANKDMCHYSLIAO-FSSPWDJASA-N 581.222 7.191 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356301712 XLPURHFSQODTOD-GPDYSTJBSA-N 957.361 9.656 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@@H](C(C)(C)O)O1 2356405944 IXKSFJQVWRDNPC-DFUAFTIJSA-N 647.688 5.754 50 1 KKGF C[C@@H]1CC=C[C@@]2(C[C@H]3CC#Cc4c(O)cc5cc4C[C@H]4C[C@@H](CSSC[C@@H](C)NCc6ccccc6C5)C[C@H]2[C@H]4C3)C1 2356413462 YDRNYFOWZIMLSN-NHJBLUAGSA-N 597.934 8.795 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)CNCC1CCCCC1 2356687961 HITXQSQGIPMBBA-HSRPPTRFSA-N 664.972 5.732 50 1 KKGF CNCc1ccc(CO)c([C@@]23C=C[C@@H]4CCC5=C6C[C@H]7C[C@H](CO)[C@H](CCCO)[C@@]6(CC5=O)[C@@]7(C)CCSS[C@H](CC2)[C@]42NC(=N)NC[C@@H]23)c1 2356774352 VXUJVTATKSQBGU-RUXDOONRSA-N 721.046 5.215 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@H]1C)N43 2356860245 UDDKJHIRDUXIBO-KPAZVQADSA-N 748.064 8.181 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@@H]4C(=CC[C@H]5CSSC[C@H]6CCC7(CCCC7)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(C)=C2OC)[C@@H]4C)c1 2356861276 UHIADCSWPPTJSQ-FQNYPLBQSA-N 748.108 9.771 50 1 KKGF Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN)CC[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 28826821 HPZPQXBIIPRIRD-HKPASHDGSA-N 681.963 7.261 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(-c3cc4ccccc4o3)ccc2[nH]1 29237814 YWHDYFQDRCSFGK-QGZVFWFLSA-N 607.972 7.556 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1c2ccccc2cc2ccccc12)OCc1ccccc1 84617049 IRTOMYGXXONMNA-XIFFEERXSA-N 624.828 9.117 50 1 KKGF O=C1N(Cc2ccccc2)[C@H]([C@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 137124625 HZQKKLCDSRMIMN-ANLCFORVSA-N 569.543 6.471 50 1 KKGF COC(=O)c1ccc(CNC(=O)C(C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 169364508 ISZADPCNRKXFLT-SOFHBTQQSA-N 767.957 6.987 50 1 KKGF CCOC(=O)CN(Cc1cc(OC)cc(N(C)C)c1OC)C(=O)[C@@H]1CC(CO[Si](C)(C)C(C)(C)C)=CN1C(=O)OC(C)(C)C 195430056 NWBPWAUUGNNWGK-SANMLTNESA-N 635.875 5.577 50 1 KKGF CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](N3C(=O)NC(=O)C[C@@H]3[C@@H](O)c3ccccc3)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195476939 LCVKRPARHSQQEA-ATALWYEFSA-N 578.855 5.102 50 1 KKGF C[C@]12CC[C@H](OC(=O)Cc3ccc(N(CCCl)CCCl)cc3)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@@H]12 195515797 JMZJBCNHUJOLER-CEOBTADNSA-N 563.610 6.336 50 1 KKGF C[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@H]1I 299814339 DJBHCAQXADHLMR-DMYAGNDBSA-N 742.499 7.544 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299820327 LESKKKIMBKXTJX-IBLSZMLDSA-N 909.039 6.329 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322277 GVFSCZNNWBWCLR-YUBSYSMPSA-N 541.962 5.944 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(Cl)cc1 587326626 MDZBIDMRGKXDKN-DGPALRBDSA-N 538.446 7.339 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)[C@@H](C2)C3=O 587413268 MFAXDSWVAAKMBR-MHECFPHRSA-N 504.207 6.588 50 1 KKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689433 SJQKTJXJZVLIEE-XQLUGIRFSA-N 504.827 6.363 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 587737421 FJCAQXVPMJGNFZ-AUUPYJTASA-N 739.094 6.409 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc2c1 587784325 PXNLVXYRSISNDG-FLIBITNWSA-N 531.344 8.732 50 1 KKGF C[C@@H](Cl)C(=O)NC[C@@]1(c2ccccc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963190824 RNNNPFBGSSNTRW-LMAHUJEZSA-N 585.056 5.527 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356293902 MDICNXLHDFEEMJ-ZDCURWKJSA-N 813.055 7.059 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5c(CNCCCO)c(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O6)C4)C1)C2 2356301238 RSZMIUSJIDYSLK-MZTCYYAPSA-N 971.255 8.264 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](CO4)C3)CCCCC1)CC[C@H](O)CC(=O)CC2 2356354870 BMTVKEOGDNRFTC-RICBPALJSA-N 815.115 6.299 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356373684 GFDLEAMWTLXELE-AEFJXXOYSA-N 967.396 11.439 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3c(cccc3CNC)CC[C@@H](c3cccc4cocc34)CNC(=N)N2)C1 2356432614 GSBFFOKRFIPJRH-SRYXPIOPSA-N 923.387 11.435 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356462558 XHEUFMOIEYKEEI-BBEJTASCSA-N 803.005 6.186 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 2356487230 SZFINAONAOTLBP-GOXGLGGOSA-N 639.745 6.653 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]2O)cc(OCCC(C)C)c1O 2356499101 RPXLSRODNNMOTA-NEJSIURUSA-N 726.954 7.522 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@]14C=C[C@H]5c6c(ccc(c61)[C@H](N)NC4)[C@H](O)C#C[C@@H]([C@@H](O3)n1cc3[nH]cc5c3c1)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@@H]1O 2356582834 YKQLYNPTLYSHIR-XQLHTUECSA-N 955.256 8.860 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356826840 HKSMCUJWMDONAI-CCSWPLSTSA-N 967.308 7.994 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356826841 HKSMCUJWMDONAI-RVSCESCVSA-N 967.308 7.994 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)NN)CC[C@]4(C)CC[C@]23C)C1(C)C 49756249 BVWFKNUODQIFRM-XWEVEMRCSA-N 526.762 5.889 50 1 KKGF C=C(c1ccc(Br)cc1)[C@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653689 DLYNQDQUVHMCIM-HYBUGGRVSA-N 501.329 5.100 50 1 KKGF C[C@@H]1[C@@H](CO)C[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)C5(CCCCC5)SSCC[C@]2(C)[C@]31CC4=O 103525182 FEPKNFMKQWQQQL-RAAMSDGESA-N 531.832 5.622 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c4c3C=C[C@H]3CCC[C@H]3O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O 150348633 MPUJBQIZZXBFMX-WFOASPQVSA-N 929.307 8.991 50 1 KKGF biogenic,in-vitro CCCNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 150522634 VYOJHIHCFZNRRM-KANRBCDISA-N 661.877 6.938 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@]1(OC(=O)c1cccs1)C(=O)CCl 253693057 UVSRXUYQBDAGKD-SJTXVSOASA-N 555.951 6.584 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299818538 SBWFAIGFKMBQFX-RCPKAFGSSA-N 798.421 5.306 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4ccc(C(C)(C)C)cc4)cc3O)sc2c1 299829427 KHDGLBIAEBINGE-KCSSXMTESA-N 559.736 6.876 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319589 CFSATHPZOHOFHM-PXJZQJOASA-N 580.837 6.821 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 587537075 AGDUGOUVRNWLAA-XUZZJYLKSA-N 547.188 6.606 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N1 587684594 LGIBFXFLOWTLJN-OTGIWPJISA-N 545.880 6.094 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857562140 BDMLZOYUSCBCTE-LMNYVAITSA-N 695.117 10.108 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCCn4cc(CNC(=O)CCCC[C@@H]5CCSS5)nn4)cc3oc2=O)cc1 1857748801 ZJJDCZAMSDWKAH-HHHXNRCGSA-N 608.786 6.250 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1OC(C)=O 1857749404 SCPKTCVWVMYYAV-OAOWXZOTSA-N 504.740 5.771 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCO)CCCC6)c(=O)oc5cc1O2)[C@H]43 2356299585 FENRYQKTHDWIIE-PMHVHYBNSA-N 899.145 5.399 50 1 KKGF C=C(CO)C(=O)O[C@@H]1[C@H](OC(=O)C(=CCCC(=CCCC(C)=COC(C)=O)COC(C)=O)CCC(=C)C(C)C)C(C=O)=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]12 2356316077 BPCGMFPONKVIER-FJQXUWRQSA-N 764.909 6.757 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356386348 FQRBGDPTIPPRPR-GOJNOKLDSA-N 729.062 6.286 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSS[C@H]3C=Cc4c(ccnc4N3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356403323 GCZLSRBIXDVHDI-KSQDAYFVSA-N 832.101 9.718 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@H]1[C@@H](O)C(=O)O 2356471510 YMYYGTOIPCUGBB-LIBLAWAESA-N 716.019 5.508 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356661460 CBECSIRFQBKURK-XNQFUAPYSA-N 779.119 7.717 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Br)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356716574 RETCPPWIOCMJEO-BTZRARBUSA-N 525.867 6.238 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@H]1O)[C@H](O)CC(=O)CC2 2356769581 JBVWVZYUXLXYMK-BEVIMSPHSA-N 540.703 5.604 50 1 KKGF CC1(C)O[C@H](C=O)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H](C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)O1 2356770464 SONGBZAQUHTSIC-BVGMQRKASA-N 807.094 7.642 50 1 KKGF C=C(C=CC=C(CO[C@H](CO)CCCCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356774748 CLVNFWVWWUUJSE-ZVMRDOGQSA-N 871.257 7.937 50 1 KKGF CCC[C@H](O)C[C@H](O)CC(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1 2356819208 FACUTDSVHHLLCT-PMUFZYBNSA-N 837.077 5.801 50 1 KKGF C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356830030 JDIMYUISUUVXTD-LUZXVAFSSA-N 599.983 6.386 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C3=C5C(=O)O6)N7)[C@H]42)CCCC1 2356833703 KIVSPGJRJFAYHX-OQADYOQVSA-N 865.131 6.743 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@](CC)(C#C[C@@H]3C=C12)[C@@]1(CC[C@@H](O)C1)C4 2356833774 KJUVZYDEWNCVJF-JJMSZCLNSA-N 900.261 6.866 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356874130 YSZZKDNUCDDBDY-NTCIHBHMSA-N 877.231 7.541 50 1 KKGF c1ccc2c(CNCCCCCCNCCSSCCNCCCCCCNCc3cccc4ccccc34)cccc2c1 26378658 UCDGSBVHIDOEAC-UHFFFAOYSA-N 631.012 8.554 50 1 KKGF CCCCCCCCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145628 UIDXLKPLCURKOM-SYLLQPAVSA-N 603.888 9.110 50 1 KKGF C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 49832930 KRIAAQCKBBQRMH-DXKNBJLNSA-N 682.854 8.170 50 1 KKGF COc1cc(/C=N/NC(=O)Cn2c(-c3ccc(N(C)C)cc3)cc(-c3ccccc3)c2-c2ccccc2)ccc1O 66098003 CODNYJIXGSYSFZ-FADJLKOXSA-N 544.655 6.420 50 1 KKGF CSc1nc(C)c(CCOC(C)=O)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n1 73241901 QWRVNWFRZAIGBO-UHFFFAOYSA-N 501.592 5.422 50 1 KKGF CCCCN(CCCC)C(=O)/C(CC(=O)c1cccc2ccccc12)=N\NC(=O)c1cc2ccccc2cc1O 102921652 FDLFVZXEYNUZQG-BNIPGBBVSA-N 537.660 6.486 50 1 KKGF C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)(C)C 150611560 YTJQHSDHKQFNJM-SQQFMCCZSA-N 756.783 5.283 50 1 KKGF CCN(C1COC1)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 207709858 FMEWHTMZZYPJGN-GTRUEHEQSA-N 624.721 5.120 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 253656604 UXWIVRBMVBCLQU-MHXHJASVSA-N 552.752 6.969 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3cc21 586974396 WBTBJBCGCOIRNH-QGZVFWFLSA-N 653.485 7.028 50 1 KKGF CCOc1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Br)c1OC 586978654 ZUQBQACSBFRUQM-PLNGDYQASA-N 578.195 8.323 50 1 KKGF CCCCCOc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1Br 587009444 GCKPIQGYPYKMJT-NRFANRHFSA-N 517.855 6.015 50 1 KKGF Nc1c(Br)cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br 587321364 JESBPARLLHZFLB-KNQAVFIVSA-N 600.076 6.288 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325554 YRGFAEQYAOXEIX-SAAIGDAKSA-N 564.868 7.082 50 1 KKGF CC(C)(C)C(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587373811 JIASFDKLLWEVCQ-ATIYNZHBSA-N 502.007 5.748 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O 587452536 NVVIYNGURNHATN-ZHDUIGQVSA-N 564.147 7.048 50 1 KKGF O=C(Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)OCc1ccccc1 587537512 GQQNEELCMUEZGJ-VAVYLYDRSA-N 560.400 6.393 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671534 TWEBOAXTTSSWGW-LEHBWIKQSA-N 533.279 6.728 50 1 KKGF COc1c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] 587672967 JGIKZVOLTIFZNM-UGZDLDLSSA-N 536.623 5.640 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587683167 OBZPFDPDKWBVJY-OALGXETFSA-N 551.382 7.979 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@@H]1COc2ccccc2O1 587689588 UUGDUCRVQZPTGO-CMWQGSDOSA-N 533.869 5.863 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 587689790 WHHSZPROKHWSQR-OZAJXLCCSA-N 505.815 5.741 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@H](O)[C@@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c1 2356317933 BGCNYURORKRGBT-PUHQYUERSA-N 936.206 7.458 50 1 KKGF CCCCCCNCOc1c2cc(c3c1OC[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 2356364756 XTLQEUWXSBOYRO-AAOCAGMASA-N 781.098 6.401 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356681857 IPKLNOAFVZYVHP-VECXHYOOSA-N 942.390 9.195 50 1 KKGF CCCC=C[C@@H]1OC(C)(C)O[C@H](C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356682537 NAANPMTYGDOOLH-LYMFGBECSA-N 847.203 9.799 50 1 KKGF CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)NC(=NC)NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@@H](CC[C@@H](CC)CC=O)C32CCCC2)C1 2356741177 RHRLCZYVSPXXLV-ZGNZPANBSA-N 979.404 10.867 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@]6(O)[C@@]4(C)[C@]53C)C[C@H]1C2 2356776040 CRDHWQJVDBBPCX-XJFIDKTISA-N 625.941 7.167 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@]21O 2356776434 WOHHWXLCYXMWDP-GUSRQEBRSA-N 835.274 10.045 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356855700 RSKDJIUGLMQCGI-AONZXZIVSA-N 571.849 5.589 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(OC)c(OC)c(OC)c2o1 29228691 YHRBPVXPPBTUKJ-LLVKDONJSA-N 582.915 5.434 50 1 KKGF O=c1[nH]cccc1-c1c(/C(O)=N/S(=O)(=O)CCCCl)n(Cc2ccccc2F)c2ccc(Cl)cc12 73224866 QZJAREOOWMYKKG-UHFFFAOYSA-N 536.412 5.101 50 1 KKGF C[C@H]1C=C/C(=C\C[C@@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@H]2C2=C[CH+]N=C2)c2ccccc21 150344014 XDHHUESSCURQFJ-YLWJQCQFSA-O 852.020 6.961 50 1 KKGF biogenic,in-vitro C[C@@H]1[C@H](CC(C[C@@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 169615392 CRSJHIRCVZDTHB-PUAZPVNQSA-N 832.066 7.556 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCCCCCN=C=S)CC[C@]4(C)[C@@H]3CC[C@@]12C 253704847 QGWGVBRWMAFYLJ-KKPXMVASSA-N 527.903 10.076 50 1 KKGF COc1ccc(C(=O)/C=C/c2ccc(C(=O)O[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc1OC 299858467 SBDSGGBUMVDJJP-JUCTZOISSA-N 578.658 5.965 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)c3ccc(/C=C/C(=O)c4ccccc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299859314 WZCIEEUVEQPKRJ-ISVDBVNKSA-N 518.606 5.948 50 1 KKGF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587114631 VXBSZKVRUYQNEP-SECBINFHSA-N 509.260 8.348 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)ccc(Br)c2F)[C@@H]1c1ccc(F)cc1 587335319 QMVBGZSIZQWDFR-GCJKJVERSA-N 558.600 6.736 50 1 KKGF CCC(=O)OC[C@@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)CC(=O)c2cc(C)cc(N)c2O1 587386597 KIVAQHNSRNPFNY-HPZXAZTISA-N 672.190 5.372 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)CC(=O)c2cc(C)cc(N)c2O1 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KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2c(F)cc(Br)cc2F)N1 963188121 VPHAXMBKQFOGPK-PBHICJAKSA-N 563.542 5.637 50 1 KKGF CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)[C@]5(NCCc6ccc(O)cc65)C(C#N)=C[C@]43C)[C@@H]2C1 963340869 JLJYBXRISGGREE-XNFPZSMVSA-N 673.889 7.907 50 1 KKGF N[P@@](=O)(Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl 1772652576 YKWQMQSCCFKVSX-GDLZYMKVSA-N 519.167 5.361 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(F)c3)CC2)nc2ccsc12 1772655999 JDDQNPXLJRUERE-GQCTYLIASA-N 513.642 6.853 50 1 KKGF COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)(C)C 1857578118 ZQCLJCBGDZVQOL-BMYMHALSSA-N 868.045 5.038 50 1 KKGF C=CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1857624053 BDKQSXIIYZQXSP-XXSAGVDUSA-N 604.860 7.692 50 1 KKGF C=C1C=CC=C2[C@H](CCC[C@@H]3C[C@@]4([C@@H](O)[C@H]23)[C@H](CCCO)C(=C(C)C=O)CC[C@]4(C)O)OCC#CCC(C)=CCC1 2356361293 YDGMHVQMNWFQPU-BIXRPTLLSA-N 562.791 6.160 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356365545 NTUFHXNPEPSSFI-MKAMKVBGSA-N 787.139 7.120 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@@H](O)OCCCO)C3)c2)N1 2356368446 PJXCMBHIQZLBRQ-UVWIFHFNSA-N 787.058 5.778 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356372504 GDSBARYVMNRMKO-ZTEHUUHYSA-N 921.273 7.480 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@H]3C[C@@H]2O1 2356449436 MGVIMUPHKPHTKF-IOPDCIRRSA-N 867.086 5.951 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@](CO)(Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356496172 DRUAPNLANGYFOM-SDCQKBLISA-N 838.240 6.894 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)CCC=C(C)C 2356686697 PHUVQXFPKGYDKS-BJGVSMQZSA-N 557.816 5.604 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356713565 MIYUFHDXGRVYCA-KYMDWTARSA-N 924.328 6.381 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@@H]3C[C@]2(C)[C@@H](Br)CC1 2356756599 SXQYDZYKXZHMKD-KWLALQDESA-N 570.362 6.855 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSSCNC9=C%10CC[C@@H]2[C@@]1(C%10=C3CN9)[C@H]4[C@@](O)([C@@H]6O)[C@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]7C8=O 2356814048 BXCCCFHRDSTXSU-DLDNTGNESA-N 963.184 5.219 50 1 KKGF O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@]34O)ccc21 2356859487 SVDNOZRNUXLLFU-QLAHYOOESA-N 890.069 6.556 50 1 KKGF CCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@@H]1C)OO2 58538155 WCNXVVGQZNZRPC-WHGKNHSCSA-N 603.841 7.252 50 1 KKGF O=C(CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3c2CCCC3)n1NC(=O)c1ccccc1)N/N=C/c1ccccc1 72173548 JGXGEUCTMRKONU-XICOUIIWSA-N 649.802 5.688 50 1 KKGF COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCc2ccc(Cn3cnc5c(Cl)ncnc53)cc2)OCO4)cc(OC)c1OC 95576072 ANFLBQMMRYFDII-LOYHVIPDSA-N 669.090 5.370 50 1 KKGF COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)\C2=C(\C#N)C(N)=O)cc(OC)c1OC 96916451 YNHDHIOREQIPKQ-QZCIJHQSSA-N 574.718 5.906 50 1 KKGF Fc1ccc(C(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 100900681 TVUOOUQDGYWZPB-PKQPGRETSA-N 504.646 7.433 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H](c1ccco1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195181666 QHPKUAWSKSIHPM-OFSOJUDTSA-N 561.880 10.464 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518615 WGSGYYQEICONIP-XPJVRYOESA-N 529.383 5.915 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 253632522 GFVXUJAOFLGABH-ZHQXJCJLSA-N 581.464 5.388 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587190887 UMDWTHNAWQOVOZ-UTDOBGAJSA-N 696.955 6.625 50 1 KKGF CC(C)(C)OC(=O)N1CCC([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC1 587319688 COZGWVNQAYSHGQ-GJZUVCINSA-N 534.422 5.671 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1ccccc1 587327319 PCELICMIEFYAIQ-LITSAYRRSA-N 518.972 5.827 50 1 KKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546858 KDYPBGOTXPURGG-SQJMNOBHSA-N 529.561 6.729 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587614364 SADBZCQMPILDRX-LEAFIULHSA-N 506.023 6.618 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 587687685 HFOKMENDYVECKK-DXPJPUQTSA-N 503.887 7.136 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 587846403 DJBCEZBLQAQMSH-WHLCRQNOSA-N 504.383 5.970 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587858416 QFQVRUULHLQFOF-HAWMADMCSA-N 547.921 6.532 50 1 KKGF CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)C[C@@]23c2ccccc2C[C@@]2(C4CCC4)C(=O)NC(=O)N32)N1 962647128 USTZAGYLFVMKTM-HUTUBIKLSA-N 562.670 5.516 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CCl)(Cc2ccccc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962722322 YMKUOFZQELYOSE-LBHUVFDKSA-N 630.135 6.480 50 1 KKGF COc1ccc(CC(=O)NN/C(C)=C2/C(=O)c3ccccc3[C@@]23c2c(ccc(F)c2F)C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963033326 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COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@H]5CO)[C@H]4CCC[C@@H](C4)SS3)[C@H]2O)c1O 2356422422 BZHSFORLXUKRHU-FTEIMOQZSA-N 795.029 8.149 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@]2(C)CC1 2356540560 BZWGMCWZXRKRBF-TZXSSGAYSA-N 578.878 9.692 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356656414 UIOIUPXBVQUWKA-LWLKDHDNSA-N 713.063 7.314 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356731634 UIZLUTJCRGLYEX-RSLHKZDPSA-N 789.029 7.964 50 1 KKGF CC(=O)O[C@H](CC=C(C)CCC=C(C)C)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356777378 UMUGWPGRUHYSOT-SEVDZJIVSA-N 516.763 7.183 50 1 KKGF N#CCCO[P@@](=O)(OCCCCCCCCCCCBr)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F 49841493 IEJSYXQOUMLNKP-HUESYALOSA-N 672.512 6.721 50 1 KKGF CCOC(=O)/C=C(\N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 82195349 LLDHDLRDYXDJIH-PYCFMQQDSA-N 643.433 7.715 50 1 KKGF C[C@]12CCSSC[C@]34C[C@@H](CSS[C@@H](Cc5ccccc5)c5cccc(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549297 IEYJSBNYTVVFAT-FLJMCTADSA-N 778.188 8.045 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(C(F)(F)F)cc1 103950316 ILRPEDBLGIDCDY-SFHVURJKSA-N 574.365 5.945 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)C(=O)NN 136114365 SYXZEMDFBULCDY-BCDBGHSCSA-N 526.762 5.745 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@@H](C)CCC(N)=O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCC[C@@H]1C)OO3 139121162 UWQSQZOQRFSXSE-XVVMYXSVSA-N 633.823 6.143 50 1 KKGF Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([nH]4)c(-c4ccc(OP(=O)(NCCCl)NCCCl)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 150550706 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473124767 XAFLNVGDUQKPNZ-HFGBOEAGSA-N 506.614 6.459 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OC(C)(C)C)c3ccccc43)cc2c1 473130914 MJJWWCYAIPMLHH-FQEVSTJZSA-N 563.098 6.591 50 1 KKGF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586964060 TZFHZURJYWPOJI-LLVKDONJSA-N 505.332 7.030 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587325705 GVTXMZBHFUFKQV-ZQAZVOLISA-N 586.063 6.230 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@@H](NNC(=O)c1ccccc1)c1ccccc1)CC2=O 587470417 MUUXNLJPJVDNKR-CDZUIXILSA-N 506.602 5.881 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587542565 HMDSYZSZEFTEIH-DLFZDVPBSA-N 509.989 7.130 50 1 KKGF C=CCn1c(C)cc([C@]2(CCl)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1C 962638420 ZKZPIYGQGZSBSY-WNCULLNHSA-N 501.023 5.222 50 1 KKGF N#CC1=C(N)OC2=C(OC(CO)=C[C@@]23NCCc2cc(-c4ccccc4)ccc23)[C@@H]1c1ccccc1C(F)(F)F 962669842 PHMGPUQFNJZDKS-VIZCGCQYSA-N 543.545 5.339 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@H](c2cc(Cl)ccc2B(O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079711 PJOUDTWOWJIICV-XDSPJLLDSA-N 739.910 6.066 50 1 KKGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 963228739 IQAUFKRIFXXOAA-FYBSXPHGSA-N 570.443 5.305 50 1 KKGF O=C(NCCc1ccco1)c1cnc2c(SSc3cccc4cc(C(=O)NCCc5ccco5)cnc34)cccc2c1 1772634097 ZDHYTMBLBWAKCL-UHFFFAOYSA-N 594.718 6.713 50 1 KKGF CCCCCCCCCCSSCCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCCSSCCCCCCCCCC 1857590218 JGVGCRUVTOIGGF-SSEXGKCCSA-N 752.132 11.042 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356301310 UXOSVHCMTLOIOH-ANIKGXTJSA-N 895.157 6.175 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H](c2cccc(O)c2)SSC1 2356307149 ZEFUYPXEFILTJV-AGIQITRISA-N 604.794 7.212 50 1 KKGF CC(C)(C)C=CN1CCC[C@@H]1C(O[Si](C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 2356348081 YKGKHEBBYMDPJV-UUWRZZSWSA-N 531.816 7.361 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)CNCC 2356350518 DQQRFSUSJZEJHV-CQQLYCNASA-N 666.988 6.120 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CC[C@@H]5C=C[C@@H]6CCCC7=C1[C@@H](C4=C5[C@@H]76)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356364520 XUEYWSMJYNTHHT-LYHYYNPXSA-N 884.266 6.991 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356366741 PLDLFCJJLLMGTO-FWAVJHCYSA-N 748.115 5.497 50 1 KKGF CCCCC=CCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356476864 RHGTXJLTQOSXCQ-DAEKQUIBSA-N 711.125 12.420 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@@H]2CN(CCCOC)CC[C@@H]21)C4 2356493544 WPQVFLINZAFPEF-DBMQNBSHSA-N 836.979 5.262 50 1 KKGF CCCCCC[C@@H]1CC[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356552475 QZWIJRVIJMNVEB-OHXCWLKESA-N 503.822 6.861 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@H](OCCO)CCCC1 2356826381 HJIZKZIUKPSVER-OBQYDDEYSA-N 848.185 6.351 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356857857 SNGYTSFSRIWPDR-GKIMZJHNSA-N 881.038 6.854 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@@H](O)C2CCCCC2)C1 2356875077 ZZABLJOOFAZANW-OHJNNDHASA-N 945.346 6.844 50 1 KKGF O=C(O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)/C=C/c1ccccc1Cl 27717734 DQIRWNGAPOWZKA-DKFQHHCZSA-N 686.111 5.608 50 1 KKGF CC1(C)CC[C@]2(C(=O)n3cccn3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145587 YYXHRJLIOGMXCT-IQJWXSGESA-N 541.736 6.743 50 1 KKGF C[C@H](Cl)Cc1nc(O)c2c(n1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@@H]2c1ccc(Cl)cc1Cl 66099778 ZXLNRQYZTNNARF-XMHCIUCPSA-N 593.920 5.597 50 1 KKGF Cc1cc(OCc2c(-c3c(Cl)ccc(=O)n3C)noc2[C@@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622157 IUWIVPGQCMCERV-MRXNPFEDSA-N 566.441 6.738 50 1 KKGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 72136412 SCTZBCCYBVITLE-JUFVCXMFSA-N 707.739 7.879 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](C/C=C\[C@H](O)[C@H](O)C2CCCCC2)CC[C@@H]1CCN 85505443 KDFFTWWWHDDJTR-JUGVNZTLSA-N 728.074 7.173 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597308 LAEKLZBSRIJJLA-ZURNTLRNSA-N 847.109 8.107 50 1 KKGF biogenic,in-vitro C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C 150611575 AVZXJUDBXUWBJQ-PQUNRTFBSA-N 809.641 5.403 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 169363252 QHBVSZZSIUMZBD-XKXLDIBNSA-N 536.753 7.268 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)[C@H]2C=C3C(C)(C)CCC[C@@]3(C)OO2)C(C)(C)CCC1 238752048 UUDZWPOVNSESPO-OQXGEZFBSA-N 568.886 11.749 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccoc2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253635651 ZABSPJOXBSMZHR-MFJOUWFTSA-N 563.474 5.440 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@H]([C@@](C)(O)c5ccncc5Cl)[C@H]4CC[C@H]32)C1 261089295 DEPMEDSXCRDCRX-JJGLAYLGSA-N 532.285 8.602 50 1 KKGF O=S(=O)(Nc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc2c(c1)OCCO2 586950323 UOZDWDJKDRQDFC-UHFFFAOYSA-N 533.500 6.459 50 1 KKGF CC(=O)N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 586984618 HOIYCKIDGMEABP-AWEZNQCLSA-N 563.184 7.165 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)[C@@H]1c1ccc(F)cc1 587325102 CCMNPTGRFQBQLZ-IAPPQJPRSA-N 503.913 6.600 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)CC2=O 587457068 VIWXMNRRHHJINF-SANMLTNESA-N 573.827 6.149 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)CC2=O 587459231 HCDJUFICYOKQPA-YTTGMZPUSA-N 514.065 7.500 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O 587496088 RGRRQWIUFDJNHA-YTTGMZPUSA-N 566.163 7.669 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543368 KJEAPGMMUKHEGV-WTNLLYQRSA-N 549.505 7.862 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 587609428 VRQDSTKNEHLNPO-QZNUWAOFSA-N 762.782 8.814 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 587681781 ARBAHOPTWUNIIA-SHZVTRLKSA-N 513.794 5.136 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587844786 PASPNJIZHDIXRK-UZJPJQLHSA-N 517.848 5.110 50 1 KKGF Cc1cccc([C@]2(CCCCCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 962573717 UAIPHOWGFHRWCG-CYEXUTLASA-N 581.112 7.303 50 1 KKGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CCl)(c2c(-c3ccccc3Br)[nH]c3ccccc23)N1 962914989 ADJRCOJMDWUHLE-CPJSRVTESA-N 513.794 5.818 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@@]23NCC2(CCOCC2)c2cccc(C(F)(F)F)c23)N1 962950093 DYBAAQSBRHAPIK-NEEKEDPPSA-N 551.628 6.950 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@]2(c3ccccc3C[C@@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079263 JJDCNJIFQFOFJH-RRRSLPDISA-N 766.581 8.206 50 1 KKGF CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)C[C@]23c2ccccc2C[C@@H](C(=O)O)N3C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 963092746 WTSHSBMGOOSGDW-PLYHOQOOSA-N 725.889 9.173 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)(c2ccc(C)cc2)N1 963176830 UEOCYYZOHDLVLG-MSEJLTFDSA-N 588.151 6.758 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)[C@]5(C(C#N)=C[C@]43C)c3cccnc3CCN5C(=O)c3cc(C(=O)c4cccc(C(F)(F)F)c4)c[nH]3)[C@@H]2C1 963580019 KKPGURXCZNGHOY-CCWXIOGRSA-N 861.018 10.288 50 1 KKGF COc1ccc(/C(C#N)=C/C(=O)OCCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)cc1 1857600677 DVWOLZFYQNCOKD-VMOUULMMSA-N 707.908 9.095 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc2c(cn1)CC[C@@H]1CCC[C@@]21C[C@]1(O)[C@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356291865 DSDKZMMBAILFQX-MUJIHCFKSA-N 941.178 6.412 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@@](C4)([C@@]21O)[C@@]36C 2356350850 KPKKTPFPKAKNDS-XUHFCWRVSA-N 621.909 6.771 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@@H](Cl)CCC(C)=C[C@H]12 2356411397 OAZCZMDHKJUCJE-NJZSOXGOSA-N 719.400 7.492 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NCC[C@@](Cc4ccccc4)(SSC1)C3=C2 2356837358 LJOADYKEOBTNEM-RLDSBJTASA-N 604.838 6.401 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356856028 RVUXUFINZLOLON-NBLRUBJOSA-N 931.323 8.699 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1Cl)C(=O)Oc1ccc([N+](=O)[O-])cc1 72183161 XQGKAKKXKDUYJS-NRFANRHFSA-N 535.981 5.144 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)O[C@@H](O)[C@@H]([C@@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 85626401 DVPSXLWOFILYRO-WZKMMKCFSA-N 831.114 5.562 50 1 KKGF biogenic,in-vitro O=C(NCCCCCN1C(=O)N(CCCCCNC(=O)Oc2ccc([N+](=O)[O-])cc2)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@H]1Cc1ccccc1)OCc1ccncc1 96126616 LEMVHGOJSMIBIE-WESAGZJESA-N 796.922 6.027 50 1 KKGF COc1ccc([C@@H](CC2CC2)NC(=O)/C(C#N)=C/c2cccc(/C=C(\C#N)C(=O)N[C@H](CC3CC3)c3ccc(OC)cc3)c2)cc1 103262719 WVGPJYVNGQBNFQ-XOGJBRRASA-N 614.746 6.833 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(C4(NC)CCCC4)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 150349760 VSAOQKXGFZMXIT-YMVTULGPSA-N 997.313 9.806 50 1 KKGF biogenic,in-vitro CCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CN(CCCl)CCCl)c(OCC)c2)ccc1OC(=O)CN(CCCl)CCCl 150608859 ASCGCVVOTLWCMF-NXZHAISVSA-N 760.539 6.109 50 1 KKGF CN(C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)N/N=C/c3cc(Br)c(O)c(Br)c3)cc2F)ccn1 169345168 LBMSWBQLZNDKNA-VVEOGCPPSA-N 662.318 5.219 50 1 KKGF CCC[C@H](C)C[C@@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@@H]1CCCCO1)O[C@H]1CCCCO1 205905589 WXQXQKMIIRXKKK-LWJDUSOGSA-N 723.102 9.048 50 1 KKGF CC(C)=CC[C@H](CC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@H]([C@H]1CC(C)(C)OO1)C(C)(C)O)C(C)(C)O 255228652 LTZKXZZQHUUMDI-AXWRQJIUSA-N 739.138 13.411 50 1 KKGF Cl[P@@]12=N[P@]34=N[P@](Cl)(=NP(N5CCC6(CC5)OCCO6)(N5CCC6(CC5)OCCO6)=N1)Oc1ccccc1CN3CCCN4Cc1ccccc1O2 299827931 PABFCMWXUDTEQB-NQINQISWSA-N 817.529 9.133 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(-c3ccc4c(c3)C(=O)OC4=O)[nH]c21 586907160 SVJZJKGDVBBDHN-UHFFFAOYSA-N 628.685 6.801 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c21 587057326 VDYCHAGLYUMAEE-SGWCAAJKSA-N 771.749 10.602 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322181 LMZSWPMBZFPSOV-JJHJWNPMSA-N 597.565 7.406 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 962707687 XZVHRCHNMNLGPI-WMLDXEAASA-N 590.003 5.565 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 962921294 GUPKQRPFFAOWMR-DURBRWELSA-N 573.989 5.181 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963087791 BPMJJOGZVINDID-QXDWOSFHSA-N 658.091 8.377 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCl)(c2cc(C)n(Cc3ccccc3)c2C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381648 XTBDNQGDROMYMS-DFUITMLUSA-N 661.198 7.690 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@H]21 1772574961 HNHWUYVELGHTPK-LHEWISCISA-N 705.727 7.435 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSS[C@H]3C=Cc4c(ccnc4N3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356291746 DDTKQMAZUZNVSN-HOPWENSVSA-N 763.982 8.157 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@@H]4[C@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356400641 FKAWGRZMQNXGSM-DPQGBSOXSA-N 731.132 5.917 50 1 KKGF CCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@@H]1[C@H](OC)C=C(COC(C)=O)[C@@H]2CC(C)(C)[C@]2(O)[C@@H](O)C[C@]1(C)OOC3=O 2356555065 HOCDVFMNFJTYFE-NOWIVBKSSA-N 630.775 5.177 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356772675 GGMVKMHEZFTCCA-GQFKXNPZSA-N 925.305 7.444 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@H](O)C5 2356777189 OYMCAXQHSPBXMK-HEZNDLGWSA-N 854.185 6.217 50 1 KKGF O=CC(=CCCCCCC#CCCCCCCCCc1cccnc1)CCCCC#CCCCCCCCCc1cccnc1 2356793296 HDRSSOPPKQJRTP-UHFFFAOYSA-N 608.955 11.366 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CN[C@H](O)[C@@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356849096 PSTJAZASTBICMV-ATLBFHAXSA-N 948.085 5.849 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](C1)[C@H](CCc1ccccc1)C1=C(C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O6)C4)N[C@@H](N)C=C1)C2 2356855027 QYJQZNUFKYCJIB-VGYHSTNASA-N 990.301 10.341 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]1(N3C=CNC3)CCC3(CCCC3)C1)c1cc2cnc1N 2356870688 XTSZEWNQWYMCOJ-HULUNCCOSA-N 700.971 8.049 50 1 KKGF CO[C@@H]1[C@H](OC(=O)NC2(COC(=O)Oc3ccc([N+](=O)[O-])cc3)CCCC2)CC[C@]2(CO2)[C@@H]1[C@]1(C)O[C@H]1CC=C(C)C 2356871689 KYFBDKVCGSZEPB-KPSNBDRWSA-N 588.654 5.226 50 1 KKGF CC(C)(C)c1cc(C(C)(C)C)c(SSc2c(C(C)(C)C)cc(C(C)(C)C)c(O)c2O)c(O)c1O 1657722 CAACFDDSLRAMQW-UHFFFAOYSA-N 506.774 8.498 50 1 KKGF COc1ccccc1CNCCCCCCOCCSSCCOCCCCCCNCc1ccccc1OC 28220960 UOWLWSKQAHZCRN-UHFFFAOYSA-N 592.912 7.119 50 1 KKGF CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccc(N=C=S)cc1 28371834 XUNOVTBIYFFBCP-DEOSSOPVSA-N 568.570 6.957 50 1 KKGF Cc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2occc2C)o1 29394652 SASXUXHJNVQCIU-UHFFFAOYSA-N 538.868 6.050 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(C#N)cc43)cc2c1 34608616 BPQAYFOOHPWBLW-GOSISDBHSA-N 517.973 5.024 50 1 KKGF C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 44305154 RPBUJHDUJTXPIX-FIRIVFDPSA-N 580.674 5.766 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)OC)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 58609135 UTKPRIKDCHAYJZ-OOXOXIJESA-N 662.861 7.221 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(Cl)cc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 96283550 PKNQRRACXPSYFM-FDALDRLYSA-N 620.125 7.485 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24CCCC[C@H]3[C@H]1OC4=O 150345653 KKBNSZIVIJTUGD-HYOHEZITSA-O 819.986 6.654 50 1 KKGF biogenic,in-vitro CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(OCO)c3c2CSSC[C@@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 150349774 UNANUGZBTJXONK-JAMGHGIESA-N 949.225 7.895 50 1 KKGF biogenic,in-vitro C[C@@H]1[C@H](CC(C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]53OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169294202 CRSJHIRCVZDTHB-MZTRJCEMSA-N 832.066 7.556 50 1 KKGF COc1ccc2nccc([C@@H](O)[C@@H]3C[C@H]4CCN3C[C@@H]4CC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)c2c1 169355472 MBAQHIKTOFDTQI-NZXMCTEOSA-N 622.759 5.129 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccn([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]4[C@@H]3O)c(=O)n2)C(C)(C)CCC1 195347124 VSSBQLKQSWOHQV-ZHGJWBGKSA-N 768.157 8.928 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195484879 STPFNZPGQPDBNI-MALNDZBISA-N 586.011 6.526 50 1 KKGF COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1 586995269 IRQMSNMLUONSMX-UHFFFAOYSA-N 657.253 8.438 50 1 KKGF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587267297 WUWAYXJRYOHYPH-JKYUHCHBSA-N 562.271 6.333 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)ccc2F)[C@@H]1c1ccc(F)cc1 587328085 IRHUATCWQHQTSG-IRLDBZIGSA-N 513.256 6.339 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@H](C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)CC2=O 587495051 NBEAQKQZSVESHQ-QYBDOPJKSA-N 513.015 5.736 50 1 KKGF O=C1C[C@](c2ccc(F)cc2)([C@@H](Br)[C@H](Br)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505466 IUCVHSGFFRCTEL-STXQHDJLSA-N 576.275 7.604 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 587674349 WHTJUFZSCJMIIP-ODCWNRFASA-N 610.159 7.006 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587689498 TWMVBFOMEBMKKV-FVIJCFCBSA-N 510.278 7.054 50 1 KKGF Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587856588 IVFOYAKUEZIOHP-JWIGPWBQSA-N 561.948 6.840 50 1 KKGF COc1ccc(/C=C/C(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)[C@H](OC(=O)/C=C/c6ccc(OC)c(OC)c6)C[C@@H]([C@H]2C)[C@]53OO4)cc1OC 653771395 NHXDNSIUOQZDDL-ALOVLQRRSA-N 680.747 5.721 50 1 KKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@@]2(CCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962646729 TXMZMMBARRQGIF-ROJLCIKYSA-N 540.063 6.363 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 962707677 XZVHRCHNMNLGPI-PBHICJAKSA-N 590.003 5.565 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccc(OC(=O)[C@@H](C)Cl)cc2)([C@@H](C)Cl)N1 963158842 CQJQTCFCLQYONQ-XONRDYJZSA-N 694.659 7.370 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2[C@]2(NCCc3ccc(O)cc32)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 963342667 RJKVVJFCFCWEHB-UQYLQGAMSA-N 601.820 5.871 50 1 KKGF N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@@]12c1ccccc1-c1nc3ccc([N+](=O)[O-])cc3nc12 1772625532 VTUGXCZRGXSART-UMSFTDKQSA-N 608.618 5.250 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857538667 BJBFSHDIGUXKCJ-PTQFMRNHSA-N 885.030 12.677 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSS[C@H]7C=Cc8c(ccnc8N7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356291747 DDTKQMAZUZNVSN-QANIQLPQSA-N 763.982 8.157 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@]35C 2356371604 MIVUNPKOOUMSLD-ZIEDYRAGSA-N 936.287 6.524 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](OCNC1CCCC1)CC(=O)CC2 2356372698 KOFDCWBISUDVOF-SXOMAYOGSA-N 611.826 6.729 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)C1CCN(CCCOC)CC1)C4 2356373869 JPZLUIOKHVYOBW-PTFCATEWSA-N 812.957 5.096 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@@H](Br)CC[C@@H]2C(C)=CCC(C)=C2Cc2cc(ccc2O)C(=O)O1 2356490663 RBCKUQFYJTZYAI-BQXMOOCUSA-N 503.477 6.407 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@H](CC(C)C)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356523564 WMHXPBMRJVFXFN-QTQLFHQISA-N 834.107 5.315 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@@H](SSCCC[C@@H]3O)[C@@H]4O)C=C[C@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356580515 WPWYHEJIOKBNTR-OQBWQZBVSA-N 990.300 11.021 50 1 KKGF CC(C)=CCCC(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)=C1CCCCC1 2356703170 PWSDVAHJMAKGGG-OSWUWPNASA-N 598.865 6.691 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24CCCC[C@@H]3[C@H]1OC4=O 2356753295 KHVOVXGEZOOIJA-FNNIGBFKSA-N 702.855 6.035 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]15CCCC[C@@H]1C[C@H]([C@H](CO)OC)[C@H]1C=C[C@@]5(C#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)C1)CC[C@@H](O)CC(=O)CC2 2356756153 ZIMCKGDDUXNULR-FNESBTSSSA-N 983.307 6.043 50 1 KKGF Cc1ccc(C(=O)N/N=C(\N=N\c2cccc(Cl)c2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 5582812 MFWHYLWWGJORLW-QEEVISEHSA-N 512.017 6.466 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O 43482136 SCGKCIFKZFNKSL-WMZGLSJWSA-N 605.212 6.791 50 1 KKGF O=C(NCCCSSCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O 95574486 GWEVYFBPZUKAQY-DKKRNIPZSA-N 738.528 6.014 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccc(F)c(F)c5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916433 GJQXWXOMVCFMRQ-PPQMNATCSA-N 520.620 6.158 50 1 KKGF Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(N(CCCl)CCCl)cc6)ccc5o4)cn3C)cn2C)cc1C(=O)NCCC(=N)N 150541213 BYBHPNRNQQCSBT-UHFFFAOYSA-N 856.772 5.797 50 1 KKGF O=C(CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23)OCc1ccc(N(CCCl)CCCl)cc1 473086418 HWJKFOXHQWMFKE-CMRUAMDZSA-N 586.648 6.559 50 1 KKGF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586929952 JVHWCYIVNHNPFV-UHFFFAOYSA-N 522.315 5.518 50 1 KKGF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 586958139 GIVRQSPJNHJLTR-BKTGTZMESA-N 586.446 7.677 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054825 CFCWLRPMNZRXRC-BOPFTXTBSA-N 514.438 5.592 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 587332392 SFTLOISWHSDOET-WPBIRLGBSA-N 555.980 7.422 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccc(OC(C)=O)cc3)c2c1 587617337 DGXOWRZQTDNVMZ-UHFFFAOYSA-N 529.958 5.217 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H]([C@@H]2C1)[C@@]1(C=C2[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)NCCc2cc(-c3ccccc3)ccc21 962674622 YFENIKCTUWZADX-XKNWTLTCSA-N 670.938 9.430 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@]2(c3ccccc3OCC[C@@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963030913 CMXPUOSFOPSUMT-YHDFVFTKSA-N 646.484 7.015 50 1 KKGF CCCCCC(=O)Nc1ccc([C@@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963074497 MENQNKRTXZDNPF-MCBPOFBKSA-N 823.279 9.644 50 1 KKGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@]12c1cccnc1CCN2C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963547468 BNXHEKFWCIIXHZ-VSPOGIRPSA-N 618.450 5.680 50 1 KKGF CCN(CC)c1ccc(/C=N/NC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)c(O)c1 1772623760 WADNSDMKPWZKMD-VABDULGGSA-N 608.074 6.041 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@@]21O 2356364491 VGYVCBIZWZDRHT-UMHLPGGISA-N 906.357 8.754 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC=C(C)[C@@H]2Cc2cc(ccc2O)C(=O)O1 2356527187 YGMMQPFJIJSNBX-CAQABQBDSA-N 584.389 6.861 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356604196 RGIGOAOBPRHHLD-QXHHCACKSA-N 964.341 7.508 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)CC[C@@H]4CCC[C@@H]4[C@@H]5CNC[C@@H](C)O)c3)cc1CO)C[C@@H]2N 2356654711 HPMNOSZERCAAMO-KKMVNUFSSA-N 923.344 7.726 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SS[C@H]3C=CC4=C(NCC=C4[C@@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356833626 KIEIBQVLGHHWFI-AKRPBQKNSA-N 933.250 8.304 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4NC5=C6C7=C(CC[C@@H]8CC[C@H](c9cccc4c96)[C@@]78C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)CN5)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356858841 SPBYNESJLDXDMX-WJQNEJTMSA-N 889.061 5.277 50 1 KKGF CC1=C(CCCCCCCCCCCCCCCCCC[C@H](C(=O)O)[C@H](CC(=O)O)C(=O)O)C(=O)OC1=O 2356859267 SSSBQGMZIPAJTB-ZEQRLZLVSA-N 538.678 6.284 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356871242 XYZDWBGJOIUQCG-SFONYPBESA-N 852.132 8.017 50 1 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 28604444 GWKWKOFCTIYRPP-UHFFFAOYSA-N 555.654 5.485 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873675 SQTOJVAIUPEFBN-ZEQRLZLVSA-N 643.350 5.826 50 1 KKGF CN(C)CCCOC(=O)C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 43939040 HVXSPONWSBKRMC-OAQYLSRUSA-N 624.330 5.205 50 1 KKGF Cc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1NC(=O)Nc1ccc(N(CCCl)CCCl)cc1 49881642 OJRDRDUTKOMIOH-UHFFFAOYSA-N 572.540 8.676 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC)c1O 85567797 SSHFTLHZEMDSCW-QERGZFMOSA-N 640.820 6.572 50 1 KKGF biogenic,in-vitro CC(=O)OC1=C(CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 95561719 JFPXKFHBINXGHL-UHFFFAOYSA-N 617.746 8.388 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cnc3ccccc3n2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118933956 CKPJCFKFLBFNMI-MKYKZABYSA-N 625.549 5.790 50 1 KKGF CC(C)(C)[Si](OC[C@H]1C[C@@H](Cn2cnc3c(N)ncnc32)c2cn(Cc3ccccc3)nc21)(c1ccccc1)c1ccccc1 195813706 DWBKKPJHIGNXCY-WUFINQPMSA-N 613.842 5.501 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@H](COC(=O)c3ccncc3)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299806444 QPNLRZTXRIDAFS-YAQJURHFSA-N 711.893 7.136 50 1 KKGF COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C/c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 586954134 WRHYNMULIPZKFR-ZHACJKMWSA-N 659.659 6.518 50 1 KKGF O=c1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc(Br)cn1Cc1ccccc1 587006009 DZAUTJQLWFCQLD-UHFFFAOYSA-N 585.190 7.622 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(I)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190211 JTUNCSVSHRXNNC-MRUJLHLNSA-N 688.651 6.594 50 1 KKGF O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587201736 BUIYHCGULMWSBI-AWEZNQCLSA-N 544.296 6.425 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1F)(c1cc(Cl)ccc1NC(=O)CCl)CC2=O 587465179 BRVRTOMBDMLIIR-SANMLTNESA-N 502.369 6.224 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)CC2=O 587467276 RYBBYYREMCVOQE-NRFANRHFSA-N 507.274 5.803 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 962695914 COEYAXIZNKQVIZ-ZJSXRUAMSA-N 546.895 5.935 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)c1cc2c(cc1NC(=O)[C@H](C)Cl)OCO2 962999228 UEZPFAFJGNQRTF-DRKIFQHWSA-N 613.494 5.573 50 1 KKGF Cc1ccc([C@]2(CBr)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1F 963083199 VOMQUAYCOHSCDB-PILPWRDFSA-N 786.587 8.729 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)c1ccccc1OC[C@@H]2Br 963157397 LHEMAXAZHXLONC-NOPVECSPSA-N 646.585 6.366 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963182664 CSHQAIFGZSBERU-YAYIQTBWSA-N 674.547 8.473 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6nnn(CCO[C@H]7O[C@@H]8O[C@@]9(C)CC[C@H]%10[C@H](C)CC[C@@H]([C@H]7C)[C@]%108OO9)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1772600243 TXVLBXRSKXVMLA-PSEKHTHXSA-N 790.099 9.259 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCNC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@@H]43)C2)cc(O)c1OC 1772601408 JTRQBOKNXPIMCB-CFBJCCIQSA-N 633.786 5.695 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(OC/C=C/COC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c(OC)c1 1857563854 JOTRGOJFAIHTGU-RSNPZHTRSA-N 735.918 8.880 50 1 KKGF Oc1ccc(Cl)c(Nc2nc(SCCN3CCOCC3)nc3c2cnn3C[C@H](Cl)c2ccccc2)c1 1857773699 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C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356767530 DJTBFWXQAVUAHP-LNSGQLLXSA-N 829.132 5.798 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356773927 MPASCQACILSQFD-VQKMVXSMSA-N 763.073 5.924 50 1 KKGF CCCCCC(=O)OC[C@]12CC=C(C(C)(C)OO)[C@@H]1[C@H](OC(=O)c1cccnc1)C[C@]1(C)O[C@@H]1CCC(C)=C[C@@H]2OC(=O)c1cccnc1 2356871845 YLQVZIPYGBZEBF-IFZAQPRNSA-N 676.807 6.840 50 1 KKGF CCCCCCC(C)(C)c1cc(O)c2c(c1)O[C@@](C)(CCI)[C@@H]1CC[C@@H](CO)C[C@@H]21 13781101 XDFCGCWTWSKRLQ-STLTWMRASA-N 528.515 7.109 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc(Oc3ccc(NC(=O)CCCC[C@@H]4CCSS4)cc3)cc1)O2 27435475 ZEMGGJPBVMOZPW-MYVCOICNSA-N 620.837 8.485 50 1 KKGF O=C(NCc1ccccc1)[C@@H](O)Cc1c(SSc2[nH]c3ccccc3c2C[C@@H](O)C(=O)NCc2ccccc2)[nH]c2ccccc12 27706106 ZZEJZBLCZXHUBG-MEKGRNQZSA-N 650.826 5.888 50 1 KKGF 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CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]12C=C1[C@@](C)(CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]13C)[C@]1(C)CC[C@@]3(C(=O)O)CCC(C)(C)C[C@H]3[C@@H]21 962046659 SNYLWRBLPMQEHD-GTWZICICSA-N 843.078 7.309 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@]2(CCCC(=O)[C@@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 962573326 QZUSMGDDUWUQAB-OBZNHSRCSA-N 561.432 5.054 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(c1ccc(C(C)(C)C)cc1)c1c(NC(=O)CCl)sc2c1CCCC2 963150674 RWMUVOYQXSAHJV-APYJYERMSA-N 644.259 7.097 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CCl)c3cc4cc(O)[nH]c4cc3Cl)nc(Cl)nc21 963927755 DOLXQDBANWZZEZ-SANMLTNESA-N 557.869 6.152 50 1 KKGF COc1cc(-c2nc3ccc4c(c3[nH]2)OC(N)=C(C#N)[C@@H]4c2cccc(F)c2)cc(Br)c1OC 1857656016 KAGNMXHKAMNELR-HXUWFJFHSA-N 521.346 5.367 50 1 KKGF CCCCSC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857742278 ADCFAFILABIKEW-MJZADXPTSA-N 561.829 6.611 50 1 KKGF 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CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC)C3)c2)N1 2356738616 OUUUTIPUESMCTM-MNMSPTIISA-N 821.119 7.459 50 1 KKGF CCOc1ccc(N[P@@](=O)(Oc2c(F)c(F)c(F)c(F)c2F)N(CCCl)CCCl)cc1 1865688 HLOGKZJSTOMNQQ-WJOKGBTCSA-N 507.223 6.159 50 1 KKGF c1ccc2c(CNCCCCCCNCCSSCCNCCCCCCNCc3c[nH]c4ccccc34)c[nH]c2c1 28218861 FRRPOLIDXUDUKA-UHFFFAOYSA-N 608.966 7.210 50 1 KKGF COC(=O)[C@@H](CSSC[C@@H](NCCC(=O)c1cc2ccccc2s1)C(=O)OC)NCCC(=O)c1cc2ccccc2s1 72113997 QFXLDOAWEOAXGO-FGZHOGPDSA-N 644.862 5.606 50 1 KKGF N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933474 RLDQJOSKOZTNAK-DQEYMECFSA-N 510.384 6.512 50 1 KKGF COc1ccc([C@H]2O[C@]34C[C@H](c5ccc(Cl)cc5)N(C(=O)OC(C)(C)C)C(=O)C3=C[C@@]2(C)OO4)cc1 96934110 WIJCDIIWFBZSNY-VLHNATBGSA-N 513.974 5.672 50 1 KKGF CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372878 REXRRVDGTFBNLC-KSEPQPKSSA-N 632.791 6.494 50 1 KKGF COCOc1c([C@H](O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC 195506158 UNLPTGJLOQDTPF-QHCPKHFHSA-N 530.763 6.682 50 1 KKGF O=[N+]([O-])c1ccc(N2CCN(C(=S)SSC(=S)N3CCN(c4ccc([N+](=O)[O-])cc4C(F)(F)F)CC3)CC2)c(C(F)(F)F)c1 212329332 NUYKVGNGSVCVMX-UHFFFAOYSA-N 700.734 6.436 50 1 KKGF C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@H](CCCc1ccccc1)C(=O)N(N)[C@H](Cc1c[nH]c2ccccc12)C(N)=O 261173091 UFJUEKAJZPTZED-SGMZZTEZSA-N 780.863 5.176 50 1 KKGF CC(=O)c1nn(CC(=O)N2[C@H](C(=O)Nc3cccc(S(F)(F)(F)(F)F)c3)C[C@H]3C[C@H]32)c2ccc(OCc3ncccn3)cc12 473179112 XKLWONYNTSKTBE-VEYWIMSWSA-N 636.603 5.893 50 1 KKGF O=C(Nc1nc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1)c1cccs1 587019959 UUNVTSINJUQPJI-UHFFFAOYSA-N 545.378 7.344 50 1 KKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)cc1I)[C@@H](C2)C3=O 587427191 HOHOFOXVZNLXMY-SCLBCKFNSA-N 564.011 5.100 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 587681782 ARBAHOPTWUNIIA-YMXBGEKHSA-N 513.794 5.136 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 587715242 XMAMXHLDWXIQTG-VVVCHXIZSA-N 560.021 6.542 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587717260 KXWQLRVUVFQQAO-JZRJEEFESA-N 681.058 6.865 50 1 KKGF COc1ccc2c(c1OC)[C@]1(c3ccccc3C(=O)c3c(NC(=O)[C@H](C)Cl)cccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678790 MYZSGXRUGJXUBO-GPWHBBDMSA-N 649.065 6.823 50 1 KKGF COc1ccc([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963007797 JXJPEVVYIZNDTH-KCWPFWIISA-N 553.840 5.620 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CCCCCCl)c1ccccc1OC(F)(F)F 963153375 VTRIDRHBRXIOAM-GAJHUEQPSA-N 549.011 6.331 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(C(C)(C)C)cc1)c1c(NC(=O)CCl)sc2c1CC[C@H](C)C2 963642611 ZANKDMCHYSLIAO-TWPAGNKHSA-N 581.222 7.191 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCCCCN=C=S)CC[C@]4(C)[C@H]3CC[C@@]21C 1857565039 QGWGVBRWMAFYLJ-PFLPKDMBSA-N 527.903 10.076 50 1 KKGF COc1cc2nc(SCC(=O)Nc3ccc(F)cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857610009 XMEHCNWRZBBMMF-AATRIKPKSA-N 543.624 6.414 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc2c(cn1)CC[C@@H]1CC4(CCCC4)C[C@@]21C[C@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356299985 IWFQDGYJVXTRRT-WVQWCGRBSA-N 927.151 5.879 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@@]4([C@]12O)[C@@]36C 2356315923 XWYLJKCURGZVGK-KBZHENSLSA-N 595.871 5.755 50 1 KKGF CCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1 2356334530 IWIZOMWAHIZTOM-LKFJNGBZSA-N 675.819 9.352 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356360894 QUVSERCSZMCZJX-QWRGPJMGSA-N 988.282 8.286 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356364661 WDJLEGXOJNZBQI-PVMYTREYSA-N 712.085 6.808 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1CCC(C)C 2356366854 RNSOXIUYHBTONR-BXFRTFBDSA-N 798.074 5.311 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356444504 XXPUOYJGHYAFTK-YBUGJXGGSA-N 709.079 6.772 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCCO)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356489912 OLPXHXZFOGUKCQ-ACGCNLSQSA-N 918.225 5.847 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@@H](Cc2ccc(O)c3c2CSSC[C@@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCCC3)c2)ccc(O)c1OC 2356521599 FCVYNIPQSGAOFH-GHAPXYIOSA-N 988.326 10.145 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCN[C]3C=C(C=CN3)C23CCCC3)CCCC1 2356580108 LHLPHYDSHHILHG-RLWXKJCFSA-N 759.071 8.226 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC)[C@@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2[C@H]2C=C[C@@]13CCC[C@@H]3C2 2356683924 GQNSPINKPVRSQB-DLKIOOIASA-N 990.435 7.795 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356738870 FHHBLXAUCHDWCM-SPZDPHGNSA-N 873.185 5.202 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@H](CCO)CCCC[C@H]3OCCO)C=C12 2356837246 LIKVIGVIUQIDBZ-PCBOJAOLSA-N 864.184 5.324 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356861935 UVFYIHRCVSYRRI-WPXMVLLQSA-N 975.243 6.012 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](Cn2ccnc2)(CCN3)SSC1 2356865353 WBPSCDJASMDGFY-UKPGIYTDSA-N 592.787 6.037 50 1 KKGF Cn1c(SSc2c(C(=O)c3ccc(C(=O)O)cc3)c3ccccc3n2C)c(C(=O)c2ccc(C(=O)O)cc2)c2ccccc21 27721638 GGISTQYRESWHKH-UHFFFAOYSA-N 620.708 7.328 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H](C[n+]1cc[nH]c1)c1cc2cnc1N 85596451 OWFYFBFARDUEKL-GAAOXRPGSA-O 591.779 5.548 50 1 KKGF biogenic,in-vitro CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@@H](CO)[C@@H](OO)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC 95661736 JHUJPKVBFXKXPT-NTYQDUOQSA-N 795.108 9.382 50 1 KKGF in-vitro CCO[C@@H]1[C@H]2C[C@@H]3C(C)(C)O[C@@](C/C=C(/C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 104354074 IKFKEJSONUWRCD-MEIPHFEFSA-N 590.713 5.722 50 1 KKGF in-man CC1=CC(=O)O[C@H]2C[C@H]3O[C@H]4C[C@@H](C)[C@H]5O[C@H]6C[C@H]7O[C@@]8(C)CC=C[C@H]9O[C@H]%10C[C@H]%11O[C@H](CC(=O)CCl)C[C@@H](O)[C@]%11(C)O[C@@H]%10C[C@@H]9O[C@@H]8C[C@]7(C)O[C@]6(C)CC[C@@H]5O[C@@H]4C[C@]3(C)O[C@H]12 255226812 LLWZTLRNRYPFBO-XGKRJTNVSA-N 917.530 5.525 50 1 KKGF CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 299819688 BDIQBBZMHANHTF-RKOGDMNLSA-N 556.615 5.814 50 1 KKGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(=C(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1 299841215 YPMCQIMRFWCKHG-UHFFFAOYSA-N 502.479 5.149 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055161 KGQPRGWWBFLMMJ-JCMHNJIXSA-N 513.428 7.920 50 1 KKGF CCOC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587055773 MSURBVNULLBQIM-MFOYZWKCSA-N 558.263 7.281 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 587319672 CNFUIPXKMYWLJD-KNQAVFIVSA-N 585.061 6.664 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 587673838 QRFNNSRIGGBJAV-SGANQWHYSA-N 529.247 7.055 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 587674334 WFENCDXXEQOFIK-YBTHPKLGSA-N 514.620 6.069 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 587677804 BGBMQXUQCRMLER-ZRNGKTOUSA-N 546.028 5.366 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)N1 587849194 KBAWUFDADLBISO-MGBGTMOVSA-N 764.659 8.931 50 1 KKGF CCOC(=O)[C@@]1(CCBr)CCC[C@]12c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961774574 HKZVWICCHZUNQB-UIOOFZCWSA-N 521.496 5.552 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1cc(Br)cc(F)c1F 962375378 SKRUDFXZSYFQAZ-HXUWFJFHSA-N 516.249 5.824 50 1 KKGF COc1ccc([C@]2(C(Br)Br)NCCc3cc(-c4ccccc4)ccc32)cc1OC 962664206 FXRPQASBZWBEFK-DEOSSOPVSA-N 517.261 5.876 50 1 KKGF Fc1c(Br)ccc(Cl)c1[C@]1(CBr)NCCc2cccc(-c3ccccc3)c21 962670098 URFOGLSBFBCMFF-JOCHJYFZSA-N 509.644 6.693 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@@]23c2cc(Br)ccc2OCC[C@H]3Br)c1 963584048 SAQCSDOTCYOTEK-UHSQPCAPSA-N 689.326 6.910 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc(F)cc1)([C@@H](Cl)C(=O)c1ccc(F)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963726849 ASENTLQKIUKXEC-QWOOXDRHSA-N 629.059 6.465 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(C)[C@@H](Cl)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(Cl)nc21 963915825 QEABVMFWUWSLHC-LVXARBLLSA-N 632.436 7.932 50 1 KKGF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857574286 ZOESSMVNLTVJJI-HGJCOZGTSA-N 650.857 5.451 50 1 KKGF Cc1c(C)c2ccc(OCCCn3cc(CCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)nn3)cc2oc1=O 1857748697 VXENVFYIAKVAOH-UYBDSMDNSA-N 609.720 5.238 50 1 KKGF CCc1c2c(nc3ccc(OC(=O)CCC(=O)O[C@@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC 1911578719 DRTNYSQQHNLKOC-IANRLLHFSA-N 758.821 5.079 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc5c(cn4)CC[C@@H]4CC6(CCCC6)C[C@@]54C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356299773 GTMQNVSRHDCCQA-MTAMKASHSA-N 869.071 5.738 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@@H](O)CSSCCC[C@@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356316856 UWFWTGBUZWMJMF-FPNNDXFKSA-N 668.830 6.496 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1O 2356323135 IUDYVLGONCYFPN-KODCUZTNSA-N 943.447 11.939 50 1 KKGF CCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1 2356334669 LJLORIMRLLORHA-WONDYGLQSA-N 647.765 8.571 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSS[C@H]3CC[C@H]2C[C@H]3O)c1 2356353650 AWRSQBYOOFLMHP-XSNZQVNOSA-N 718.938 6.971 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5C=C[C@]1(O)C[C@@](C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]3CC(=O)c1cc[nH]c1CC#C2)(C4)[C@@H]5CCC[C@@H](O)CO 2356367015 UQKJANSSRLGYIM-CNSHOJLYSA-N 930.202 7.456 50 1 KKGF COc1cc(CC2([C@H](C[C@H](OC(C)=O)[C@@H]3CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@](C)(O)CC3)OC(=O)[C@@]34CCCC[C@@H]3CCC(=O)N4)CCNCC2)ccc1O 2356371245 YAFVXHXNMAMVOB-PUZQKUFBSA-N 864.225 6.464 50 1 KKGF C[C@@H]1[C@@H](CO)C[C@H]2CC3=C4CCC[C@H](NC(=N)N)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356371383 YQLXRZZYHNALCQ-NTRUESPGSA-N 505.794 5.427 50 1 KKGF COC(=O)[C@@H]1CS[C@H]([C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)N1 2356544981 ASKCMCAJPPSBDL-MRIDXKINSA-N 658.244 5.922 50 1 KKGF CC(=O)O[C@H](C=C[C@H](C)CCC=C(C)C)C(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356592706 HLWDNSYLWSVZSK-UEZVAVGQSA-N 516.763 7.039 50 1 KKGF C[C@@]1(C2CCCCC2)CC[C@H](O)[C@]23[C@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CCCC[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@@]3(O)CCC1=CC(=O)OC1 2356654640 FQPRORZTAZHAIA-NLDUMIQYSA-N 873.275 10.184 50 1 KKGF 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COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587669317 CVCOINBMBQFPBR-WIDSHULWSA-N 577.288 6.030 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 587710642 GTSYSTMFFFXAKN-HUTHGQBESA-N 515.570 6.433 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 587714138 VBNYYHUMVMDHLV-QPFGOUBPSA-N 517.105 6.058 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587841802 CORUUHOCOMEWIE-UZJPJQLHSA-N 517.848 5.110 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)c2ncccc2c1 621430812 OXASSEYSFHTAIZ-YKDJEDCUSA-N 565.711 6.320 50 1 KKGF CCN(CC)c1ccc([C@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962962405 VJRCIGKJEIAWTD-DEOSSOPVSA-N 511.426 5.842 50 1 KKGF CC[C@@H](Cl)CCn1cc([C@]2(C3C(C)(C)C3(C)C)NCCc3c(OC)ccc(Cl)c32)c2ccccc21 963259009 QFEWXFVNJPUKAB-QTEAWJPNSA-N 513.553 7.782 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)C(C)(C)CCl)N1C(C)=O 963318957 XDBZZEZENPZICA-FQYBKOPMSA-N 903.838 7.639 50 1 KKGF C[C@@H](Br)[C@]1(c2ccc(Cl)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963442639 FMHGSLGDPFNRRJ-DGIZQVKNSA-N 537.841 6.000 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1c(Cl)ccc(F)c1Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808908 UTYXEPRGVNZGMU-MUUNZHRXSA-N 575.851 6.381 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cn([C@@H]4C[C@H](OC(=O)c5ccc(Cl)cc5)[C@H](COC(=O)c5ccc(Cl)cc5)O4)nn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772602459 GWWFUNUACAYKKD-HIKDMRAISA-N 755.652 6.149 50 1 KKGF CCCCCC[C@H](Cl)CCCCCc1c(O)cc(CCCCC[C@H](Cl)CCCCCC)cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 1772627385 LJLORIMRLLORHA-OPRRRXNQSA-N 647.765 8.571 50 1 KKGF O=C(O)c1cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(S(F)(F)(F)(F)F)c1 1857547733 WPAFXJRBUSFEDN-UHFFFAOYSA-N 532.690 5.965 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(C)cc4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(C)cc4)cc23)cc1 1857560184 NDKDJTJPQZFXFS-UHFFFAOYSA-N 760.898 6.001 50 1 KKGF Cc1cc(C)cc(-n2c(-c3cc4ccccc4oc3=O)cs/c2=N/NC(=O)c2cc3ccccc3oc2=O)c1 1857610141 CTOSQYHIDSPPJO-NHQGMKOOSA-N 535.581 5.281 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSSCNc6cc(ccn6)[C@H](CCCO)C3=C4C(=O)O5)[C@H]21 2356293406 GXBUYGWJEJWZDV-COOWJDKBSA-N 634.864 7.439 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@@H]4C[C@@H]3Cc3cc(O)cc(c3)Cc3ccccc3CN[C@@]3(C)CC[C@H]4SSC3)[C@]3(C=CC[C@@H](C)C3)C2)CC12CCCC2 2356356126 JFJQLLPOBNPQOH-ISADMFNLSA-N 739.192 11.132 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@@H](O)[C@H]64)[C@@]12O 2356369953 VWHSNPZSULAXTR-VHQWXPIVSA-N 859.296 10.067 50 1 KKGF COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@H]6O[C@@H]7OC[C@@]8(C[C@H](OC)[C@@H](O[C@@H]9C[C@H](OC)[C@@H](O)[C@@H](C)O9)[C@H](C)O8)OO[C@@H]7[C@@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O 2356471904 FDBYPFLHFZCXCR-UPESZCFLSA-N 923.103 5.123 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@@H]1CC[C@H](O)Cc3cccc(c3)[C@H]3CSSCc4ccc5c(c4CC(=O)C(C)=C1CC[C@]2(C)O)[C@H](NC[C@H](O)C3)C(=O)N[C@@H]5N)CCC=C(C)C 2356496906 RTFILKXMHHYTET-MJRZUBSTSA-N 926.299 7.655 50 1 KKGF C[C@@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356718396 UZCLBOARVRMPFZ-FEEKUILXSA-N 908.243 11.064 50 1 KKGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356774873 FEPKNFMKQWQQQL-VLBVXUHBSA-N 531.832 5.831 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356804261 ABCKSWYIYPKBJQ-ROKLTPAWSA-N 764.067 6.892 50 1 KKGF C[C@H](O)CN[C@@H]1CC[C@H](O)[C@@H]2[C@H](C#C[C@H]([C@H](C)Cc3ccccc3)C1)C=C1CCc3cc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)cc3[C@@H]1C[C@H]2O 2356841540 NJVVJXDCWVZOBW-AMOXKQIESA-N 939.298 6.116 50 1 KKGF COc1ccccc1/N=N/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(N(CCC#N)CCC#N)cc1OC 5596230 OOKACWYQPRJAKK-HEXIMOTKSA-N 523.597 5.521 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)OC)[C@@H]4CC[C@@H]3C2)OO1 95574671 FNZUFIRIQDLXHQ-AJVDZHGWSA-N 585.225 8.645 50 1 KKGF CC(=O)O[C@@H]1[C@@H]2C(C)=C3C[C@H](C(C)C)C(=O)C[C@H](C)[C@@]31[C@@H]1C(=O)C(C)=C3C=C4C(C)(C)OO[C@]4(O)C[C@@H](C)[C@@]321 95919370 NNUJSUWFBJCDRH-LYZJHZSXSA-N 538.681 5.033 50 1 KKGF biogenic,in-vitro N#Cc1c(-c2ccccc2Cl)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933469 SIRBLRUNUZZZHZ-LOSJGSFVSA-N 510.384 6.512 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 256967103 SPJCRMJCFSJKDE-KDFQMIIASA-N 644.812 10.466 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCC(=O)OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299862152 MNBJBRCLESINSV-PLOIHMDKSA-N 831.001 5.789 50 1 KKGF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)nc3n2)cn1 587129251 VQALOSBIILQADP-UHFFFAOYSA-N 534.465 6.264 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Br)ccc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189399 BSYNIXCNKXWUJU-ZHRULWDUSA-N 719.559 8.120 50 1 KKGF C#CCN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587191712 XVTNHMYBZHQHNY-UHFFFAOYSA-N 533.522 7.605 50 1 KKGF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CBr)ccc21 587319824 DCOVSHBTYCPCLV-LITSAYRRSA-N 529.361 6.273 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327673 QUEUMQUXQXMNLX-POURPWNDSA-N 527.935 5.556 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 587327822 RTISMGCJPHQNCM-NYDCQLBNSA-N 532.055 7.730 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 587669645 FQHRGUXNWSQHHV-VVVCHXIZSA-N 570.920 6.244 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(Cl)c1 587713388 CBXXMXWAYVYIMN-SPSFWMDKSA-N 514.241 6.805 50 1 KKGF CS/C(Nc1ccccc1)=C(/C#N)[C@@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949872 DJHVMWPHTSQRTC-PIIOXUQMSA-N 703.834 8.762 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CCCl)c1ccc(Cl)c(Cl)c1 963063159 CLBXTYGJXKHXRV-BERHBOFZSA-N 567.897 6.345 50 1 KKGF COc1ccc2c(c1)[C@](CCl)(c1c(C)n(Cc3ccccc3)c3ccc(OC)cc13)N(Cc1ccc(F)cc1)CC2 963301653 KZMURGSLSNNPEV-PGUFJCEWSA-N 569.120 7.695 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(C)n(Cc3ccc(F)cc3)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809977 ZONJNZHBUZRVAX-PGUFJCEWSA-N 614.117 6.541 50 1 KKGF Cc1cccc2c1[C@]1(C=C(CO)OC3=C1OC(N)=C(C#N)[C@@H]3c1ccccc1C(F)(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863045 MQZYHUQXCVZXRW-RNUBLEDQSA-N 639.627 5.472 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1F 1772614694 IGNAEMHVAZCTCM-QFIPXVFZSA-N 516.413 5.810 50 1 KKGF CCCCC[C@H](C)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356292273 MUOGCCZSVYDGMR-PLZBDGQJSA-N 874.226 11.012 50 1 KKGF CCCCC[C@H](C[C@H](C)O)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356306323 KUCLUCARBMVCOU-ZDVMBVMDSA-N 960.316 10.124 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356485915 YDIDXBMHTPRVGZ-PADJQJGGSA-N 714.994 9.175 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC4CCCCC4)C3)c2)N1 2356497463 OOMSMBZLGLKHGA-LPHSIEDXSA-N 865.216 8.998 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@@H](C(C)=O)N1)C[C@H]3CO)CC(=O)CC2 2356573949 HJMFNUVCQMXWNB-KGMSQALFSA-N 955.249 8.687 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356608373 MUAYZLTUEIKUJN-ZIHHHLBYSA-N 982.312 5.205 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@H](OO)C(CO)=C[C@]3(O)C(=O)C(C)=C[C@H]23)[C@@H]2C(C)(C)[C@@]12OC(C)=O 2356635659 FQFQITFMDONOLF-KFAYUPFASA-N 676.888 6.001 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[Si](C)(C)C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2356686486 HUKXXXJMJPMTML-IHHLDXLASA-N 689.259 11.218 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@H]2C=CC[C@@H]3O 2356746061 RFZZIDPOIBIRPO-QNFWEQNYSA-N 970.356 6.622 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC5(CCCC5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@@H]2O 2356770580 CAJMJCFFFCRUFB-CSAPQBCYSA-N 902.182 5.577 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@@]1(C)[C@H](Cc2cc(Br)cc(Br)c2O)C(=CI)CC[C@H]1Br 2356792184 JLLRGJBOMRATNZ-CMOHQRLCSA-N 933.965 11.257 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc3c(c2)[C@@](CN2C=CNC2)(CCN3)SSC1 2356810781 BBJZBHARVQKIHK-BNZLNIKKSA-N 620.841 6.179 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356841089 NEQLNMKFIOWYIG-MSDHGHNWSA-N 701.911 6.080 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145604 WFKRPCCDEBLXJC-XRCOBOKTSA-N 560.779 6.065 50 1 KKGF CC1(C)[C@@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1[C@H](Br)C(Br)(Br)Br 43068506 YWSCPYYRJXKUDB-OKYOBFRVSA-N 665.014 7.461 50 1 KKGF in-vitro O=C(NCCCCSSCCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O 95577010 XCGGGSNBWHYREE-RIGUPBQNSA-N 766.582 6.794 50 1 KKGF COc1ccc([C@@H]2O[C@]34C[C@H](c5ccc(Cl)cc5)N(C(=O)OC(C)(C)C)C(=O)C3=C[C@@]2(C)OO4)cc1 96934112 WIJCDIIWFBZSNY-IMIIGWPFSA-N 513.974 5.672 50 1 KKGF CC1(C[C@@H]2CC[C@@]34CC[C@@]2(/C=C/C(=O)CCc2ccc(O)c(c2)OCCc2ccc(O)c(c2)[C@H]2CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc52)CSSC3)C4)CCCC1 150349174 IDTOPBSZEFBKNL-VOTWDMBBSA-N 883.213 10.552 50 1 KKGF biogenic,in-vitro C[C@H]1CC=C[C@]2(C1)C[C@@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@]1(C)CC[C@H]2SSC1 150360332 VUUPOJPHCRSYIT-FOBSJZIFSA-N 750.215 12.857 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3ccc(C#CCCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)s3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309790 RUIZZHDETIGHKC-HGYBXZQSSA-N 752.967 7.681 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 170141657 RDXBTYQPUPLZMK-PYHIYFCPSA-N 847.227 6.838 50 1 KKGF CCCC/C=C\CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 238772818 RHGTXJLTQOSXCQ-TUNBIHKISA-N 711.125 12.420 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccoc2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253635652 ZABSPJOXBSMZHR-YDBHIWFRSA-N 563.474 5.440 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)=NO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299870411 XKPNOTUVUHTGBI-SUAYZYQDSA-N 637.767 5.266 50 1 KKGF in-vivo COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C(=O)OC2 586915643 PFVYWGHYQBJLGS-NYYWCZLTSA-N 597.400 7.797 50 1 KKGF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2C1 587031506 ICICEXIXMXXTKL-UHFFFAOYSA-N 560.408 8.005 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191925 ZJYRMUGSIQEMHG-ZHRULWDUSA-N 708.660 8.376 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(CC(=O)c4cc(C)cc(N)c4O3)C[C@@]21C 587384172 YHYHBUBUXMKVAV-LOTJXDRWSA-N 626.165 6.427 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23CC(=O)c2cc(C)cc(N)c2O3)C1 587385403 CVEGQEVTLPOZGB-NHJYCGOESA-N 603.541 6.591 50 1 KKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(NC(=O)OCc4ccccc4)cc1)[C@@H](C2)C3=O 587412180 HUBBBSFCQXQEKR-HFZDXXHNSA-N 508.368 5.482 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)c1 587500014 XHPNOLOVCWWWBV-PMERELPUSA-N 536.024 5.646 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(CCBr)c2c1 587620139 XSXRFUPDXQLLSL-UHFFFAOYSA-N 564.845 6.143 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587686499 CYHJQEAFHKGMGF-CIICLBFASA-N 527.821 5.525 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1ccccc1 587689191 QUGGKMNCRZLCCT-JBEBIEQOSA-N 504.831 5.407 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 587724038 YXLXISHRZJBGRH-VVVCHXIZSA-N 531.569 6.313 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CBr)(c1ccc3c(c1)OC(F)(F)O3)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962640846 XFTQAIMUUQIOAH-UUOWRZLLSA-N 568.367 5.096 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCCl)(c1cccc(OC(F)(F)F)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682367 XJPZKWKSJPSYJU-MUUNZHRXSA-N 615.998 7.972 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)c1ccc(N2CCN(C(=O)CCl)CC2)cc1 962992014 XCZJFNBYOBUHPP-MGBGTMOVSA-N 624.565 5.166 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](CO[Si](C)(C)C(C)(C)C)C1 963087494 CSCVMUCAKJHZDN-BCBNYTTLSA-N 733.038 9.464 50 1 KKGF Cc1cccc2c1[C@@](/C(C#N)=C/c1ccccc1[N+](=O)[O-])(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852260 BZMDUGPOUPEWSK-QBCOGKRGSA-N 533.625 6.388 50 1 KKGF COc1cc(-c2nn(C[C@H]3CCCN(C(=O)/C(C#N)=C/C4CC4)C3)c3ncnc(N)c23)ccc1Oc1ccc(Cl)c(Cl)c1 1772648019 XNJFGIFLVYCEGT-QVQQHXNLSA-N 618.525 6.282 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56CCC[C@]5(CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4)C[C@](O)(CO)CC6 2356293034 ZOHBLYNUTJGDPT-LCKLOUCQSA-N 996.305 8.608 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCC(Br)Br)CCCC[C@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356323502 LVFPFIWBRYXLNE-IDCUPXIASA-N 785.655 10.843 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H](C(=C(C)C=O)CC[C@]2(C)O)[C@H](CCO)CC[C@]13O)CCC=C(C)C 2356422401 BOCRHDOORLNBLG-YBEDAUBBSA-N 512.731 5.360 50 1 KKGF C=C(CO)OC(=O)[C@@H]1[C@H](OC(=O)C(=CCCC(=CCCC(C)=CCOC(C)=O)COC(C)=O)CCC(=C)C(C)C)C(C=O)=CCCC(C)=C[C@@H]2OC(=O)C(=C)[C@@H]12 2356497627 TZGZNDAKBYDMIJ-AANMMBORSA-N 778.936 7.005 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@H]2O)c(O)c(OC)c1O 2356634315 FIAPBEXBCPVUES-MHKAYCBLSA-N 710.867 6.120 50 1 KKGF CC1=C[C@H](C)CC[C@H](C(Cl)(Cl)Cl)OC(=O)C[C@H]([C@@H]2C[C@@H]2Cl)OC(=O)C=C[C@@H]2[C@@H]1CC=C1C(=O)NC[C@]12C 2356729722 DVSMDAZIABCDQH-RCYAYFOJSA-N 593.375 5.829 50 1 KKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@H]1Cc1cc(Br)ccc1O 2356802218 RYPNHNKSGHGUCG-IDKQNPPTSA-N 648.261 9.135 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)CSSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356869259 XKEQBVLPYYNKFM-CYMCJTRISA-N 868.175 8.307 50 1 KKGF CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 27627771 HERUQNURJZVWCX-HXUWFJFHSA-N 579.875 5.685 50 1 KKGF c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccn2)nc1 29395610 SKWCFIFFVJEADZ-UHFFFAOYSA-N 532.868 5.037 50 1 KKGF C[C@H](NC(=O)c1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938289 LERQMDBSXNYVEM-YHHKGDJQSA-N 705.145 7.391 50 1 KKGF CC(=O)OC1=C(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 95559395 YLCWONHXWMUHKF-UHFFFAOYSA-N 547.611 6.437 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5-c4ccc(F)cc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312609 HPROKPIHDQNVCT-DBTDTJAKSA-N 695.760 5.314 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169361609 YCOIJPSIDUQDNN-XRFTXZAESA-N 812.448 5.694 50 1 KKGF CCCCC[C@@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 210373521 UZADIEWYASJXAI-VCZQVZGSSA-N 771.922 10.194 50 1 KKGF C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 261173087 UFJUEKAJZPTZED-HZPLNWENSA-N 780.863 5.176 50 1 KKGF Cc1ccc(-c2nnc(SCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)n2C)cc1 586965327 IYFCOMOHVPJEFW-UHFFFAOYSA-N 540.381 7.379 50 1 KKGF CC(C)(C)c1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O 587538129 NSGNOAXSAQDZMG-RNWIMVQKSA-N 539.466 6.945 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 587674205 UPRPMWBSPBARSM-ZAMGYDSWSA-N 558.116 7.616 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 587678731 KJHVSTMLWJHLLM-LZVRBXCZSA-N 515.604 5.820 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587686318 CKBHCOHZAMYOFZ-QFDBLCPBSA-N 562.266 6.178 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 587721619 PVISXGKDLOHZIH-QVHKOIDPSA-N 503.078 5.456 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@@H](O)c1cc(O)c([C@@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 653735473 OALOPYYRKWCJGW-NLWOZBFLSA-N 663.336 10.311 50 1 KKGF CCC[C@]1([C@H](Br)CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962673902 LJXGRMKMJUZEMW-YKSBVNFPSA-N 528.409 6.590 50 1 KKGF NC1=C(C=O)[C@]2(c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c2cc(Cl)ccc2O1 963041023 PXWDCYBQIQHISH-SJHOIFEDSA-N 629.015 5.884 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(CCCCC[C@@]2(CBr)C(=O)OC)N1 963157942 BIPJOZWYESQTKR-PCMUHZCQSA-N 682.659 6.681 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CCl)c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)nc(Cl)nc21 963915823 QDUCTRABIJGVDA-SSEXGKCCSA-N 589.483 6.887 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3ccc(-n4cc(Br)cn4)cc3)nc(Cl)nc21 963929058 SGDALQYICYPPCB-HHHXNRCGSA-N 657.798 6.416 50 1 KKGF [C-]#[N+]C1(COc2c(F)cc3cc2CN(C)C(=O)[C@H](Nc2ccc4c(N)nccc4c2)c2ccc(c(C)c2)[C@@H](C)COC(=O)N3)CC1 1772604814 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CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2CSS[C@H]6O)C1=O)[C@@]54C 2356584962 YKPHVUHOMZUJFF-NJKABIBGSA-N 890.218 6.873 50 1 KKGF CN[C@@H]1CC[C@]2(C=CC[C@H](C)C2)[C@@H]2C[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OC)c3)[C@H](O)C[C@H](OCO)CC4)CC[C@H]12 2356635854 MQSGBIPBNNYXLW-UYZZZYHUSA-N 832.135 6.690 50 1 KKGF CCCC=C[C@@H]1OC(C)(C)O[C@H](C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356682538 NAANPMTYGDOOLH-MWXUTQMQSA-N 847.203 9.799 50 1 KKGF CCC=C(C)C[C@H](C)[C@H](O)[C@H](C)[C@@H]1O[C@]2(C[C@H](OC)[C@@H]1C)O[C@H]([C@H](C)[C@H](O)[C@H](C)C=CC=CC=O)[C@@H](C)C[C@@H]2O 2356743499 HIBXHLLAIDYISL-CVFDFKPESA-N 564.804 5.233 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@@H]3Cc4ccc(O)c(c4)O[C@H]4C[C@@H]5CCCCNC(=N)N[C@](CSS[C@@H]3CC[C@H]12)(C4)C5 2356765087 NLSIGIRJSIRJMS-RAWCAGCLSA-N 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O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Cl)c(Cl)c1)SS/C(=N/c1ccc(Cl)c(Cl)c1)OCCN1C(=O)c2ccccc2C1=O 95614823 RDGIWJLKWZGIIC-CFTRLRGZSA-N 788.518 8.982 50 1 KKGF CCOP(=O)(OCC)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(Cl)ccc2Cl)C2=C1CCC2 103951082 IUGCLRQTNPUANY-IBGZPJMESA-N 510.280 6.512 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCC(C)CC1)OO3 118930072 WFEQWOQEOCWDMV-NXRJEUKRSA-N 634.807 6.742 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCCCCN=C=S)CC[C@]4(C)[C@H]3CC[C@@]21C 118933906 QGWGVBRWMAFYLJ-DVKRBZBHSA-N 527.903 10.076 50 1 KKGF CC(C)/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 149838731 BESYWHDYQFWATR-ACSPXDACSA-N 525.588 5.104 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 253664616 GXXCHGXPDJFXGQ-AOWGLZLQSA-N 557.171 7.613 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)CCCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@@H]32)C1 254153435 ZVUDXNNYTPRRDM-MHVPHQQXSA-N 911.237 15.781 50 1 KKGF CCCC[C@H]1CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c(c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c2 255288071 ZYGXVSICEXXAKB-LDUQUWEKSA-N 978.010 5.427 50 1 KKGF COC(C)(C)[C@@H](Br)c1nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1 586970680 IKOAQBZJSDTCME-INIZCTEOSA-N 506.344 5.244 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)[C@@H]1c1ccc(F)cc1 587323408 REBMRFNRCNDOAX-XRKRLSELSA-N 578.390 6.668 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(F)ccc(Br)c1Cl)CC2=O 587464886 CNRPSDKCJYGGCJ-LJQANCHMSA-N 506.593 6.155 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)(C)C 587607231 LLAQXJTWDMRGEU-XKKDUZJHSA-N 786.990 11.061 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 587671889 BFSNWVQTWKJSLX-HUTHGQBESA-N 537.021 5.432 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)N[C@@H](C)Cc3cc(Br)c(F)cc35)[C@@H]2C1 587718403 NVDZRMLFZHOYAV-OKLURYOTSA-N 606.979 6.854 50 1 KKGF CN(C(=O)NC(=O)c1ccccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 653862753 IWIIQMOZYHQMSY-WXMAUWIXSA-N 561.439 5.070 50 1 KKGF CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2OC(CO)=C[C@]32c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963011597 HNPIBRYMPWRUQG-MTSKFENVSA-N 677.157 6.092 50 1 KKGF CCCCCCc1ccc([C@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963207019 ZTEOPJSXUCTEKV-LBHUVFDKSA-N 598.139 8.145 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(C(CC)CC)N1C(C)=O 963315153 BQLUUDYEAHQXBF-XNMCCTNNSA-N 702.226 5.360 50 1 KKGF Cc1nn(-c2ccccc2)c2nc(C(F)(F)F)cc(C(=O)N/N=C/c3ccc(Br)cc3)c12 1772644536 JCONORRSCGKBLA-KKMKTNMSSA-N 502.294 5.274 50 1 KKGF CCCCCC[Si](CCCCCC)(CCCCCC)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857564195 KTMMVRPNWXRFTH-RXMRDWAYSA-N 751.178 11.272 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857602385 JICHINASRBPKMU-DNPYYJHLSA-N 697.747 8.252 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1ccccc1 2356360471 GVLLLPMUJRUAKT-DWZPHUQTSA-N 666.010 7.053 50 1 KKGF CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@@H]1O 2356360875 QQUDMENFFCLHSZ-HKAZQZETSA-N 915.235 8.889 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)[C@@H]2CCC(C)C 2356403328 GFKYDFOGJWKTRC-VEHQZXSLSA-N 839.222 9.148 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356444502 XXPUOYJGHYAFTK-UOTITTPBSA-N 709.079 6.772 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@@H](CCC3(O)CCCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356448752 NNFNEBPSFBHKPS-WSYAXHCMSA-N 971.292 9.514 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]([C@@H]1C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC21CCCCC1 2356469414 MCRMZNCCXDVDOM-SRZCSRDBSA-N 821.075 7.732 50 1 KKGF COC(=O)CCCC#C[C@H](Br)[C@@H](O)CCCCC=C(Br)C=CBr 2356497853 AYDCADNHQBXBAP-HOTGVXAUSA-N 515.080 5.205 50 1 KKGF CC(C)=CCC[C@H](C)[C@@H]1C2=C([C@@H]3C[C@@H]3[C@H](C)C[C@@H]1O)[C@H]([C@H](O)[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@@H]1[C@H](C)CCC=C(C)C)OC2=O 2356557271 IEWUYJSHCSXBOC-MUGXDVQRSA-N 636.914 7.446 50 1 KKGF CNCc1cc(O)cc([C@@H](NC)O[C@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356741147 PCJDCFXOKJJIAN-WLFXDIPCSA-N 676.901 7.612 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@](CCO)(CCc4ccccc4)C[C@@H](O)CC[C@H]3O)C=C12 2356816264 CZMNPIGRZOFCOO-QQQFCZIRSA-N 940.282 6.281 50 1 KKGF CC[C@@H]1C=C[C@]2(C3=CCN=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@H]2C1 2356836281 KZFHRKCUFLMZKM-NWRHNEBHSA-N 529.724 5.760 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCC4CCC(CC4)[C@@H](CC1)[C@@H](O)C2)CC3=O 2356859812 TYUQHHJHZZUNDW-GGDMIDKOSA-N 983.399 9.347 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1C1=CCN=C1 2356871794 YLCVMWQVNKGVGF-JTIPUCNRSA-N 858.024 5.496 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC 1652330 NZYSPCVQTVQPEK-FQEVSTJZSA-O 580.061 5.852 50 1 KKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H]3O[C@]3(C)CC[C@@H](C(C)(C)O)OC(=O)c3ccc(O)c(c3)C[C@H]12 13379800 DRPSOKQUGMQRLO-LZFFIZBLSA-N 521.492 5.699 50 1 KKGF biogenic N#CC1=C(/N=C/c2ccc(Cl)cc2)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@@H]1c1ccc(Cl)cc1 72120130 ZRMXQXNUIGLBBL-DMFWJGLKSA-N 582.494 6.219 50 1 KKGF CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 95554212 VPWMCMFURNHFAB-XHIZWQFQSA-N 755.846 8.861 50 1 KKGF COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]2C)[C@]53OO4)cc1 140713177 PNDVIXRDIGWBLN-WXBSZJDBSA-N 500.510 5.130 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 150347723 OYRBLQOMQZDVHI-QKZVCREJSA-N 819.055 7.355 50 1 KKGF biogenic,in-vitro COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CCSSCCC(=O)N[C@H]1CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc31)CC2 150546355 GKGDUHBPYLFQIN-ACHIHNKUSA-N 921.194 8.305 50 1 KKGF CC(=O)N1[C@@H](CCc2ccccc2)C[C@@](C)(C=O)[C@H]1Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 195516833 NQKRUOIDANURON-GQUWGDPSSA-N 521.818 7.611 50 1 KKGF CC(C)[Si]1(C(C)C)OC[C@@H]2O[C@@H](n3c(C(=O)c4ccccc4)cc(=O)[nH]c3=O)C[C@H]2O[Si](C(C)C)(C(C)C)O1 195771202 OTUWKKUTCWETKI-RMTZWNOUSA-N 574.823 5.012 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 238769862 AKRMZTJSFJYCJR-NVTHVPAHSA-N 535.607 7.282 50 1 KKGF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586940497 UTUQBHNJPHQRBR-SFHVURJKSA-N 524.537 5.171 50 1 KKGF FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 587124366 WEGIQVIBAMPKAC-KTAJNNJTSA-N 636.362 10.267 50 1 KKGF O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319113 AFCBKCDYMRTWCT-XRKRLSELSA-N 625.834 6.729 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 587322531 NAPYHIBWMGLTAQ-PKXQUSJVSA-N 503.367 6.922 50 1 KKGF O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325912 HNGRVMXLODQXBG-XRKRLSELSA-N 581.383 6.573 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccc2c(c1)OCO2 587328572 VBXKDKVPFBBQDS-MFMCTBQISA-N 533.983 6.220 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)c2ccc(F)cc2)N1 587733620 RJVBUCVZRCWAGW-DHTHFVMWSA-N 508.765 6.135 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@H](C)Cc2ccc(F)c(Br)c21 587858724 SYEKIZHONKEDBE-YVORESIASA-N 577.947 6.541 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(CBr)cccc1CBr 587875509 WJQXUGXFIIRJHJ-UHFFFAOYSA-N 504.049 5.494 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(OC)c(OC)c3)c3ccsc3CCN2Cc2cccn2C)cc1OC 962395518 DGMASBVELIFPPX-JSOSNVBQSA-N 625.585 6.069 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1cc(F)cc(Br)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677307 PXPNBMUXMAIRED-RUZDIDTESA-N 631.258 6.961 50 1 KKGF C[C@]1([C@H](Br)[C@H](Br)c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903402 XAVFJXGYCLMSCX-FAJBIJEISA-N 505.609 5.193 50 1 KKGF C[Si](C)(C)C#C[C@@]1(CBr)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079316 JTTHOUXDWKYCSV-FOYYQAIFSA-N 774.677 8.114 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)c3scnc3C[C@H](C(=O)O)N5C(=O)OC(C)(C)C)[C@@H]2C1 963151568 XBXSLBGYMGZCKZ-BBTFNPHGSA-N 647.209 6.121 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 963170262 IMJRYQKOZGMUPS-VZZHGAMSSA-N 720.667 7.698 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1Cc1ccc2c(c1)OCO2 963176456 IEEXRNHEDYBAMU-UQBPGWFLSA-N 555.380 5.635 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCCCn4cc(CNC(=O)CCCC[C@H]5CCSS5)nn4)cc3oc2=O)cc1OC 1857748550 GUQXLZFGZIOTDS-MHZLTWQESA-N 652.839 6.648 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H](CO)CCCO)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356294754 RDNCMVJIUPPESB-UFHPHHKVSA-N 667.846 6.034 50 1 KKGF CN[C@H](Cc1ccc(O)cc1)O[C@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356350922 MNPXSFPKZGLJOM-COTCUIFISA-N 663.858 6.734 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356369142 CMARFXFYMOGBLM-WZVXLEQYSA-N 780.059 6.032 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@]2(O)CCC[C@H]4CN(CCCOC)CC[C@H]42)O3)O1 2356413746 JPPFXHQGHYPVQB-DLQHVOFMSA-N 867.049 6.482 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NCCCCO)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 2356772968 NFLOEUQBEWZRCH-ILENTLIDSA-N 795.033 6.586 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1cccc(CO)c1)[C@@H](CC=C[C@H](O)[C@H](O)C1CCCCC1)C2 2356852532 QQOHJBGWGOLTLS-FUIBFDMJSA-N 752.096 7.195 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356864447 VUWOFLIPMKRMHJ-NTWSLGBESA-N 733.953 5.328 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H]([C@]1(N3C=CNC3)CCC3(CCCC3)C1)c1cc2cnc1N 2356870689 XTSZEWNQWYMCOJ-VDVQJKLGSA-N 700.971 8.049 50 1 KKGF COc1cc([N+](=O)[O-])ccc1COC(=O)Nc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1 26502736 JURAFGSWJGGIDL-FQEVSTJZSA-N 675.094 6.995 50 1 KKGF COc1ccc(N(CCN/N=N/c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)C[C@@H](C)Cl)cc1 28646537 OQMCTCBSARHFKL-GOSISDBHSA-N 524.456 6.758 50 1 KKGF COC(=O)N(NC(=O)c1c(OC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126759 SUZFCPKCWBVLKR-UHFFFAOYSA-N 580.685 5.842 50 1 KKGF COC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@@H]3CCl 49708369 HOQRMRAEBPDBKM-HNNXBMFYSA-N 553.955 5.025 50 1 KKGF O=C(N/N=C/c1ccc(O)cc1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 84586541 IAJFVGXLSZAUNJ-WCMJOSRZSA-N 633.300 6.439 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Cl 84724934 LPLXRVKYWGHJAP-HSZRJFAPSA-N 548.872 6.414 50 1 KKGF C[C@H]1CC=C[C@@]2(CCC[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@H](C)CSS[C@H]5C=C[C@]32C[C@H]5C4)C1 85543500 HVNUOJHYCPJULX-DRSBGUNBSA-N 585.923 9.122 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC2([C@H](C)O)CCCC2)c(CO)c1 85597349 BBHGZZVGKSNNDU-FIYRBUAPSA-N 775.046 8.785 50 1 KKGF biogenic,in-vitro Cc1cc(C2=CC[C@@H](OC(F)(F)[C@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103203325 YZLFXWZFWSWTFM-ASSNKEHSSA-N 520.379 7.391 50 1 KKGF CCc1ccc2cc1N[C@@H]([C@H](C)O)CSSC[C@@H]1C[C@@]3(CC[C@H]4C[C@]5(C)[C@@]6(O)[C@@H](OC)C=C(O)[C@H]6[C@H]4[C@@]53C)C[C@H]1C2 103575146 OQWBIYWFIJETGR-OOZLKGCCSA-N 599.903 6.634 50 1 KKGF biogenic,in-vitro O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@H](Cl)c2ccccc2)cc1[C@@H](Cl)[C@@H](Cl)c1ccccc1 105491730 BCPUHZDSXYHLJT-CIAFKFPVSA-N 514.192 8.023 50 1 KKGF CCCNCC[C@H]1C=C/C(=C\C[C@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@H]2C2=C[CH+]N=C2)c2ccccc21 150344010 OOHGXJLLBYYMTO-KVHSJHNLSA-O 923.143 7.331 50 1 KKGF biogenic,in-vitro O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587166830 BDVYPLKRHZGRSV-OAHLLOKOSA-N 529.304 7.491 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3sccc3Br)cc2)[C@@H]1c1ccc(F)cc1 587371816 DKDLTKNHGCULOW-ZEQKJWHPSA-N 588.292 7.672 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cn(-c2cccc(C(F)(F)F)c2)nn1 587547006 KPZDOGNJVFXEQC-REWPJTCUSA-N 501.848 5.088 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 587549744 RJMRNZRQVVYTJP-NQIIRXRSSA-N 547.245 6.682 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587672472 FZHMJGNPMXZZHA-IZHWHUGBSA-N 564.249 6.248 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@H](Cl)C(=O)c2ccc(Br)cc2)N1 587677106 GODACOLORFHRTH-SHAMJUJCSA-N 630.577 7.381 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 587683688 VTENZHXYWGJSOL-ZAMGYDSWSA-N 540.702 6.775 50 1 KKGF CN(Cc1ccc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)o1)C(=O)CCl 587883733 VGQQJYYZNFHCNL-UHFFFAOYSA-N 503.813 5.161 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cnc(Cc4ccc(F)cc4)nc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587947004 PYPNAUVUKPNCHJ-YBIRNSBYSA-N 551.615 5.290 50 1 KKGF COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@@H]1CCC[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621476055 ACBVOAQDAHYRRA-SNFZXVEISA-N 662.740 6.287 50 1 KKGF CN1C(=O)COc2ccc([C@]3(CCl)c4c(ccc(F)c4F)C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)cc21 963036431 JIINGZZEXBJFNI-GUZYMRFCSA-N 645.058 6.063 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963095176 ZONZGJPWOIPXNO-NBWQQBAWSA-N 720.557 8.831 50 1 KKGF Cc1cccc2c1[C@@](c1ccc3c(c1)OCO3)([C@H](C)Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963903581 AYZZBBNNYNRUFN-NNCILOIOSA-N 532.431 5.387 50 1 KKGF Cc1ccc([S@](=O)C2=C(c3ccccn3)OC(NC(=O)C(F)(F)F)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1857758916 QYEWXCVGWCGREN-HDUZDZKQSA-N 554.506 5.002 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356351153 RDKHWRZFYDQRQQ-QEOSOAJYSA-N 773.068 5.290 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@]35C 2356354587 NBALYTNGTUZSEA-GZFJBWBXSA-N 878.207 6.383 50 1 KKGF CNCO[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@@H](O)CSS2 2356360791 OERYIYLVVSNKNF-DJWSZCHESA-N 583.772 5.978 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](C5)c3cc(O)ccc3-4)[C@@H](C)CCSS2)c(O)c(OC)c1O 2356368763 OCBIJFJFCBPYMV-MGKPUKPBSA-N 682.857 6.667 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356370265 OMELYABDBXQMBU-HIWQLBLDSA-N 833.174 8.663 50 1 KKGF CNCCCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356390088 PXEOIAVBWGUUPB-UMCPMAJRSA-N 889.197 8.156 50 1 KKGF C[C@@H]1CC=C[C@]2(CCC[C@H]3[C@@H]2C[C@H]2CSSC[C@@H]([C@@H](C)O)CCc4ccccc4Cc4cc(O)cc(c4)C[C@H]3C2)C1 2356436036 YFFVNYGARYVPCC-ZYFKQYLHSA-N 590.939 9.265 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H]3C)[C@@]12O 2356767767 HKXCLNJZDBNSBO-FTJXKMBGSA-N 908.373 9.000 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@](O)(C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356824220 GTPCODLPCNLXEB-GUJNJJDPSA-N 899.186 10.897 50 1 KKGF C=C(c1cccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)c1)[C@H]1COC2(CCCCC2)OO1 42876114 JMCXAUIMHKVSCX-XZWHSSHBSA-N 534.649 7.520 50 1 KKGF COc1cc(N[C@@H](C)CCCNCc2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 84739867 KMUWMAAXVZWHMR-XJZVHTQMSA-N 645.841 7.338 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]3CC[C@H](C[C@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O 85567682 MDJUKVWHUGUICN-DUEBWVPDSA-N 712.883 6.200 50 1 KKGF biogenic,in-vitro CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(C#N)cc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 95545532 FXJTVXJIPMCAEO-YKKXUYLKSA-N 776.935 5.382 50 1 KKGF O=[S@]1c2ccc(Cl)cc2C[C@H](SS[C@@H]2Cc3cc(Cl)ccc3[S@](=O)c3ccccc32)c2ccccc21 102946255 HDJWIAKCZPDXOF-UZAVEENQSA-N 587.640 8.603 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](CSCCCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169372619 IYYRWMHGTXIFHA-NHAJYBHSSA-N 696.925 6.400 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)c4cccnc4)[C@@H]3CC[C@@H]2C1 169851875 CPFRYINYUBIIDM-XZYZVHEHSA-N 511.867 8.338 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1ccc(F)cc1 587332996 URNNIYCBOBKEGP-UNMCSNQZSA-N 513.256 6.339 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3cccc(Br)c3)c1C)CC2=O 587458102 PUVMXZLUUGRWGQ-RUZDIDTESA-N 502.836 6.614 50 1 KKGF CC(C)(C)OC(=O)N1CCC([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587538510 PIBWONDQASKRAQ-CPJSRVTESA-N 518.404 5.135 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1Br 587566858 BOGWDMUBSAQXDE-RXVVDRJESA-N 508.137 5.546 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587670510 LBOFIQHDVKMZQC-CQEOPILBSA-N 545.290 6.629 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(c1ccccc1)c1ccccc1 587689823 WSKVHCWLQRTHIK-HZAQMHFWSA-N 551.931 7.661 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 587711179 WHOQSIWAAXRHMA-QKVFXAPYSA-N 519.764 5.052 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(F)F)cc2)([C@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 587717251 KXUYBLRVAXSISS-BBUKAURMSA-N 604.797 7.059 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(I)c2)N1 587737384 FCPCIYZWBXYJDE-QGHHPUGFSA-N 539.024 5.366 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](NNC(=O)c2ccccc2)c2ccccc2)N1 587746728 HUKFZCQJWORVEP-MATHUIJASA-N 544.468 6.042 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 963166070 CCJDEGCQWWFTKQ-SJKOYZFVSA-N 507.550 6.312 50 1 KKGF Cc1cc([C@@]2(CCCCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)ccc1F 963928923 QKXRMWVUSKNIDV-MHZLTWQESA-N 528.459 6.539 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccccc4Cl)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccccc4Cl)cc23)cc1 1857551536 NPNAVSNQFQXKRQ-UHFFFAOYSA-N 801.734 6.691 50 1 KKGF Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2nnc(Cc3cccc4ccccc34)s2)cc1 1911571623 JVLLTDALWLCLLX-JJIBRWJFSA-N 566.664 5.904 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@H](CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356354844 BHNOWXWDSDBTLQ-XBIRWEAQSA-N 690.973 5.875 50 1 KKGF CC1=C(CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]32C)[C@](C)(CC=CC(C)(C)OO)[C@@H](O)CC1 2356385241 KKUBOUCKYPCBMT-HPVDXMHDSA-N 508.740 5.944 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@@H]5[C@]6(C)CC[C@H](O)[C@](C)(CO)[C@H]6CC[C@@]5(C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]21C 2356407804 LFOGUDTXRGAZLK-JDPHEEMXSA-N 923.373 12.166 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C6CC[C@@H]7CCCC[C@@H]7[C@H]6C[C@@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356421969 AOBNCXOAARGXAU-MQJHDWRXSA-N 979.278 9.004 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)CCCC(C)C 2356485801 SZTGJQWCAPKGOY-XFKIRBOASA-N 630.907 6.154 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356533489 HOYVHYAMLXTPOG-KPWLOAHUSA-N 873.151 6.223 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356627116 WJGXWPDTAUTODB-SCXNXZJZSA-N 775.084 5.802 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)c(O)c(OC)c1O 2356634314 FIAPBEXBCPVUES-LNJARCDOSA-N 710.867 6.120 50 1 KKGF C=C(OO[C@H]1[C@H]2[C@@H](OOCC)C(=C)CC[C@H]3[C@@H](C=C(C)C(=O)[C@@]2(C(=O)OC)C[C@H]1C)C3(C)C)c1ccccc1 2356743438 CKNMYOIOGOCGJM-NZMOZGOASA-N 538.681 6.264 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC)C3)c2)N1 2356754951 WESNDGOXVMPKAH-MLKXTWMHSA-N 797.097 7.295 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](O)C(C)(C)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356793003 KECQQVSCCHRDPW-PIGMOXAFSA-N 587.636 5.989 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]1(n3ccnc3)CCC3(CCCC3)C1)C1=CC2=CN[C@@H]1N 2356819103 DZBQVVXUYQTUQX-UFUHEKCWSA-N 700.971 7.569 50 1 KKGF N[C@@H]1NC[C@@]23CC[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@H](O)c2ccc1c3c24 2356830271 JGCXIZLWUGBDFE-USJFFKGNSA-N 955.256 7.873 50 1 KKGF COc1ccc(-c2coc3cc(OCCc4ccccc4)ccc3c2=O)cc1N(CCCl)CCCl 84709492 WVUJYJYCALHJNK-UHFFFAOYSA-N 512.433 6.374 50 1 KKGF CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSS[C@@H]2C=C[C@@H]4CC[C@H]2[C@@]4(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](C[C@H](O)OC)C1 150347449 XONQSERXDWQTFG-BTVVUVCJSA-N 767.027 6.190 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@@H](C[C@@H](O)CSS1)[C@@H](O[C@H]1N[C@@H](CCC3(O)CCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 150347651 BGRQVEMXMUXFCH-JFOIEOTKSA-N 983.303 9.468 50 1 KKGF biogenic,in-vitro C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(C=C)cc1)C(C)(C)C 150611583 YTJQHSDHKQFNJM-HFLUPYTBSA-N 756.783 5.283 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)CCCCCCO)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 169357994 VRYQVDNWBXMPAS-MIJVNBEDSA-N 751.080 7.768 50 1 KKGF Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CNC(=O)C[C@@]3(C)C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O 169998872 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Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3Cl)CC2)nc2ccsc12 1772570570 SEILGWCXQYFGGK-AATRIKPKSA-N 530.097 7.367 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)CCCC[C@@H]3CCSS3)[C@@]2(C)NC=O)[C@@H]1/C=C/C1=CCOC1=O 1857558251 OKSJIOXAFDOEPP-AYMALCGGSA-N 533.756 5.539 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCOC(=O)/C=C(\C#N)c5ccc(F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857587241 QGSSPZXNKWNNTI-JKUDIZFBSA-N 667.818 8.446 50 1 KKGF COc1ccc(NC[C@]23CC[C@H]4[C@@](C)(CC[C@@H](OC(C)=O)[C@@]4(C)CO[Si](C)(C)C(C)(C)C)[C@@H]2C[C@@H](C2=CCOC2=O)O3)cc1OC 1857641329 LWDMSMKLMPREQP-FOEBGQMASA-N 657.921 6.913 50 1 KKGF CC1(C)[C@@H](Cl)C[C@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@@]21N3c1cc(Br)c(Br)c(Br)c14 1857746637 QAJAEFHWLZNVNF-KSALCITDSA-N 619.539 5.231 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@H]1N[C@H]5CCC[C@@H](CSSC[C@H]1O2)C5)CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356292111 KVBTTYUPZIUICB-QFSQIBHKSA-N 900.132 8.112 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@H](CSSCc1cc(O)c(OCCNCCC(C)C)cc1[C@@H](O4)[C@@H]3COC(C)=O)C2 2356351055 OPTDNFMJZVTDDZ-QQEVTOBHSA-N 651.847 7.103 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC4CCCC4)C3)c2O)C12CCCC2 2356464043 VAOADXUHWLTMNU-YCFOOFDUSA-N 921.324 10.414 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 2356714903 ADIDLTWFZOYUMC-WNNXTDKASA-N 603.284 9.958 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CCC[C@@H](C[C@@]45CCC4(CCCC4)C5)[C@H]3O)C=C12 2356827158 HNUXUZCLMORFBB-QALLAAQLSA-N 938.354 9.066 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@]23CC4(CCCC4)C[C@H]2C=Cc2cncn23)SSC1 2356874106 YSRYZXIQHORELR-BBARFBNNSA-N 700.971 7.342 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)cc2c1 26493994 PBXYPZFSTAWUKF-QHCPKHFHSA-N 642.112 6.901 50 1 KKGF C=C(/C=C/C=C(/COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 85544467 STTUJEJVPBLZIR-IEIZADPCSA-N 614.864 5.518 50 1 KKGF biogenic,in-vitro CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](O)[C@H](C3CCC(C[C@H](CO)CCCO)CC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344033 CFHNOLDBMDPFHI-JQGBACDESA-N 966.276 9.028 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O 150348673 GIYDNSQLIPTHND-AQAKHRCZSA-N 905.285 8.738 50 1 KKGF biogenic,in-vitro O=C(CI)Nc1ccccc1Cn1c2c(c3ccccc31)C[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@]1(CCN3CC1CC1)[C@H]2O5 169303075 YIHYNCPOLFRJAB-TVXNHBSRSA-N 687.578 5.468 50 1 KKGF N#Cc1ncc(Br)c(N(CC2CCCC2)NC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)n1 169352980 RLVMMLNOUABMIR-UHFFFAOYSA-N 602.530 5.087 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 169354556 YCOIJPSIDUQDNN-QSFVFZPWSA-N 812.448 5.694 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br 587322784 OQXJWQISFWMCJE-JTHBVZDNSA-N 536.191 5.952 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(Cl)cc1 587326630 MDZBIDMRGKXDKN-JDXGNMNLSA-N 538.446 7.339 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329802 FNVGAZNFAKVWLB-MXCVUTLCSA-N 639.135 6.216 50 1 KKGF CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587375533 UMZUJAVDYGUIFG-QGRQJHSQSA-N 618.170 8.249 50 1 KKGF CC1CC2CC(C)CC(C1)C21OO[C@](CCC(=O)NCCCN2CCCC2=O)([C@@H](F)COC(=O)Nc2cc(Cl)ccc2Cl)O1 621429251 PVVYIEOOENQSPZ-QYCYDYPXSA-N 658.595 6.252 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]1(CCl)c1cc(C)n(-c2ccc(C(C)(C)C)cc2)c1C 961946227 BGHWZLPMMAHITM-IKTYWIPASA-N 655.239 5.566 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCl)(c2cnc(N3CCCCC3)s2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381695 XWXDQEPQFYFUJV-LWQYYNMXSA-N 644.193 6.670 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Cl)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963442641 FMHGSLGDPFNRRJ-DIJZJMTMSA-N 537.841 6.000 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C)n1-c1ccccc1 963584000 RXVXWUKQHITVJT-NHOCJEJCSA-N 631.098 7.636 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947613 OHNKCUIGWLEMAV-ZZQWIFAHSA-N 632.292 5.694 50 1 KKGF COc1ccc(NNC(=O)c2c(C)n(S(=O)(=O)c3ccc(OC)cc3)c3c2cc(NS(=O)(=O)c2ccc(OC)cc2)c2ccccc23)cc1 1772593517 PLMFRDZAZXIWSY-UHFFFAOYSA-N 700.795 5.923 50 1 KKGF N[P@@](=O)(OCCCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl 1772646707 GQKBKXCKNKSJGG-PGUFJCEWSA-N 605.301 6.548 50 1 KKGF COc1ccc(-c2cc(C(F)(F)F)cc([C@@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)cc1C(=O)O 1772647421 IMHXCOXLRHCUAY-VWLOTQADSA-N 512.488 5.139 50 1 KKGF O=C(CCl)Nc1cc(C(=O)NCCc2ccc(Cl)c(Cl)c2)cc(C(=O)Nc2cccnc2Cl)c1 1857650822 MRORNFGRMPFQSY-UHFFFAOYSA-N 540.234 5.444 50 1 KKGF O=C(Nc1cccnc1Cl)c1cc(N(Cc2ccc(F)cc2)C(=O)CCl)cc(C(F)(F)F)c1 1857651808 QIHRNZCFFJMVJK-UHFFFAOYSA-N 500.279 5.917 50 1 KKGF CCCCCC[C@](C)(O)[C@H]1Cc2c(c(CO)c3c4c2OC[C@H](CO)CCc2cc5[nH]ccc5cc2[C@H]2CC(=C4C(C=O)=C(C(=O)OCC)O3)CCC2=O)O1 2356363418 JKYBHJNPWYKTGX-DQLGBZRFSA-N 741.878 6.318 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(C[C@@H]6CC[C@H](NC)[C@@H]6C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356363957 RSVRTDFORPJVEN-GTALVXTRSA-N 971.289 5.411 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356366237 COJHEZAKCBORHS-JWEQSFMXSA-N 885.151 7.403 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356370535 BRXAENSLCPKZDS-UGOWEUIASA-N 978.368 7.552 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356656019 DUQLAWUGWNZQMW-LAGJZNDKSA-N 779.072 5.242 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)OC[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356738019 RLHVXUAPDBHMFB-ISPNENQJSA-N 779.082 6.153 50 1 KKGF COc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 27710923 IOBAEBZQTPJLQF-IBGZPJMESA-N 565.029 6.752 50 1 KKGF O=C1c2ccccc2C(=O)c2c(NCCN[P@]34=NP(Cl)(Cl)=N[P@](Cl)(=N3)OCCOCCOCCOCCO4)cccc21 49937573 COBFEIQVHLRLQY-HLFYWILQSA-N 698.805 7.129 50 1 KKGF COc1cccc([C@@H](C#N)NNC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1O 82190420 DFVDEGIQZWAOQF-LJQANCHMSA-N 655.325 7.288 50 1 KKGF O=C(CCCCBr)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])cc2)cc1 95606212 PJUPVKYUSSJPTI-UHFFFAOYSA-N 746.683 6.806 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(C(=O)/C=C/c4ccc(Br)cc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101799348 YZWVJNCSQKOIGP-DBPLJUOASA-N 613.545 6.949 50 1 KKGF CO[C@H]1/C=C/C=C(\C)C[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C=C(\C)C(=O)O[C@@H]1[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](OC(=O)/C=C/C2=CC(=O)OC2=O)[C@H](C)[C@@H](C(C)C)O1 255242994 NCGWSFZKZKXDRF-FBCDOOEFSA-N 756.930 5.226 50 1 KKGF CC(C)=CCC[C@H](c1nc2ccc(C(=O)NN)cc2[nH]1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 586905115 YRJQZFJSQLEJRC-KWPYPRDCSA-N 586.865 8.107 50 1 KKGF O=c1oc2cc(O)c(Br)cc2cc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587000206 NLYXCAHSXMRKDV-UHFFFAOYSA-N 562.108 7.224 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4ccc(C)cc4)[nH]c3cc21 587187002 AGZLOSFJNFOSHG-WSDLNYQXSA-N 597.583 6.354 50 1 KKGF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 587270629 XGYVWVGJNYPTKC-UHFFFAOYSA-N 555.323 6.911 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](Br)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 587457043 URJJJGAPLQOVAG-VIEZJEQWSA-N 545.558 6.826 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 587714140 VBNYYHUMVMDHLV-WNWIJWBNSA-N 517.105 6.058 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@]1(C)NCCc2cc(C)c(F)cc21 962089660 HNOVVBVXBSJZSI-SMBWTFCLSA-N 659.937 7.170 50 1 KKGF COc1cc([C@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1I 962635292 NAMFNFOJNRSOBC-BKMJKUGQSA-N 589.315 5.685 50 1 KKGF C[C@@]1(c2ccc(O)c(CCCl)c2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963081400 LRYQUSQAKSASII-GXJHCLHJSA-N 754.172 8.393 50 1 KKGF Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)c4ccccc4CCN3[C@H](C#N)c3ccccc3)c2)cc1 963183079 ALBLULVEIOXWLZ-WDYNHAJCSA-N 516.066 5.639 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229340 VCMHKQQAESUWHA-BTAOKIIDSA-N 745.144 8.174 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccccc1OC)([C@@H](Br)C(=O)c1ccccc1OC)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963731323 OUQGZDPBAQWWLA-YBZKQSBQSA-N 697.582 6.360 50 1 KKGF CC(=O)Nc1ccc(-n2nncc2CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1 1772579392 QIDPFXMETWMAFH-KXQOOQHDSA-N 655.678 5.394 50 1 KKGF Cn1c(CO[P@@](=O)(N(CCBr)Cc2cn(Cc3ccccc3)nn2)N(CCBr)Cc2nnn(Cc3ccccc3)c2I)cnc1[N+](=O)[O-] 1857536785 PCBOHUWHRFUUGF-DYVQZXGMSA-N 917.342 5.631 50 1 KKGF CCn1cc(C(=O)N/N=C/c2ccc(Cl)cc2)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21 1911578301 MUKLPTVTNMEOOX-IPPBACCNSA-N 522.074 5.159 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCCCC2)[C@@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356313181 TYDFSQYJSJKOBX-LWFJTMDDSA-N 684.021 7.566 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSS[C@H]3CC[C@H]2C[C@@H]3O)c1 2356353651 AWRSQBYOOFLMHP-ZUQCRBFZSA-N 718.938 6.971 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@@H]4C=C[C@@]1(C[C@H]4C3)[C@]1(C=CC[C@@H](C)C1)C2 2356355595 UTHZQAHJLYJINU-PTNIBCSOSA-N 683.084 9.738 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@@H]2O)c1O 2356355973 XGWSZTGXCWXFHU-SROKNEMYSA-N 742.953 7.228 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]21O)[C@@]3(C)[C@@]12C[C@@H]3Cc5cccc(c5)N[C@H]([C@H](C)O)CSSC[C@@H]3[C@@H]1CC[C@H]4C2 2356374146 OTMZXXBYZPQACP-PEOJTKCSSA-N 597.887 6.318 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356374286 RWHNWAZRRTYMJT-KUEKYFFBSA-N 811.117 6.256 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc(c(Cc6ccc(NO)cc6)c(=O)c5c3OC3CCCC3)[C@H](O)C[C@@H](NC(=N)N)CSSC4)O[C@@H]21 2356445174 XKMRDHOVSRVVSD-WJCXEXKJSA-N 682.865 5.456 50 1 KKGF CC1=C(CO[Si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c2cc(OC)c(O)cc2CC2=CN[C@@H]3NC[C@@H](Cc4ccccc4)[C@@](Cn4ccnc4)(SSC1)C3=C2 2356842307 MMWDDLWXXCSZLA-TXNAOQSJSA-N 684.928 6.523 50 1 KKGF COC(=O)C1=CN(c2cccc(OCc3ccccc3)c2)C(N)=C(C#N)[C@@H]1c1ccc(-c2ccccc2)cc1 169340587 NGMPKOAAMDALPB-HKBQPEDESA-N 513.597 6.287 50 3 KKGF COC1=C(OC)C(=O)C(CCCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O 58468787 JOWGTYQKFTXUSP-UHFFFAOYSA-N 653.864 9.415 50 1 KKGF COc1ccc([C@H]2N(c3ccc(C)c(N=C=O)c3)C(=O)N3[C@H](c4ccc(OC)cc4)N(c4ccc(C)c(N=C=O)c4)C(=O)N23)cc1 73388310 VOIIMXSUAHAOAY-MEKGRNQZSA-N 616.634 6.752 50 1 KKGF N#C[C@@H](NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)c1cccc(Oc2ccccc2)c1 82186838 NTWDPASAZAVQFQ-AREMUKBSSA-N 701.397 9.366 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(/N=C/C=C/c3ccccc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84711214 YSGXHGHTQIFIFO-WUMXDFCWSA-N 569.668 5.586 50 1 KKGF C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cccc23)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 95606833 MVUVLVTUOPWASS-ZRRUNOMCSA-N 780.958 11.450 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1CCC2 103950652 DMPWBOYAENKKLW-IBGZPJMESA-N 559.394 7.065 50 1 KKGF CC(C)(C)[Si](C)(C)OCc1ccc(NC(=O)c2ccc(CNc3nccc(-c4cccnc4)n3)cc2)c(N)c1 170188242 SUNUIMAYURCXDJ-UHFFFAOYSA-N 540.744 6.507 50 1 KKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 221787654 FXSFZQOTXHKEHM-XMMPIXPASA-N 510.478 6.751 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cccs2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253634871 VHUICZOJPGXDGF-QNHRFNLBSA-N 579.542 5.909 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1ccc(-c2nc(NCCCN3CCOCC3)c3sccc3n2)cc1 299836991 OXYYMZKWPWSQOD-KBVAKVRCSA-N 584.533 5.955 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055054 JFEVZPAOCJSRCW-XSFVSMFZSA-N 505.453 6.093 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)[C@@H]1c1ccc(F)cc1 587320979 HUEGVSIHZNZZCH-BHYZAODMSA-N 551.411 8.078 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 587334881 IKAXALXNIBMUGK-IFMALSPDSA-N 553.165 5.785 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 587538394 AJJDHGCPTFTKQN-SHQCIBLASA-N 538.825 6.658 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543365 KJEAPGMMUKHEGV-WAKHXKBOSA-N 549.505 7.862 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 587685632 AHGKFOAQVKYXEO-BZQUYTCOSA-N 524.305 6.919 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 587687006 YKLOQAXUXKOKDX-ZYNUUPFYSA-N 528.293 6.138 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687024 YMWODVZQQHXLII-AAORUROXSA-N 511.863 5.898 50 1 KKGF CC1=C([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 587720714 UGRAIKGROBWRGL-KUUSVIQQSA-N 606.979 6.854 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 587856538 NIXPSKXBLYGRQO-QVQLBTGDSA-N 510.413 5.513 50 1 KKGF COc1ccc(Cl)cc1C#Cc1c(O)c(Br)cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc12 587918683 FBCVRHSTIHCIRG-UHFFFAOYSA-N 790.667 9.052 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(C)[C@H](Cl)c3ccc(F)cc3)c(O)c2C(=O)O1 962962871 CZLCDSKAQVHYQU-JZLOLKSWSA-N 572.416 5.633 50 1 KKGF O=CC1=C(Cl)[C@H]([C@H]2c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)CCC1 963044412 WKNAJUQFJJYJGE-DNBKINIGSA-N 578.011 6.758 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CBr)[C@H]1CCCc2ccccc21 963064325 KNAGAMZRIIAGNI-BKHUFRFQSA-N 583.523 5.876 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 963159816 HLTZKNQDNHSRJR-VNYOIJCRSA-N 685.224 7.542 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 963182434 OXVHZFUIZHHRQK-QUURXOELSA-N 519.350 6.663 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@](CCCCCl)(c2ccc(Cl)nc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963192322 TYMKHQSBRBLRIH-QVWWMRLHSA-N 591.491 7.241 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2cc(F)ccc2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364673 GNDCYLZKGZETIW-DITALETJSA-N 695.379 7.281 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCl)(c2cc(C)n(-c3ccc(OC)c(OC)c3)c2C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368187 PWFRINOWRRFUTG-ASVWIKLXSA-N 707.223 7.648 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857742261 KIFXUIURSNTAIS-JBOONNQCSA-N 652.829 5.069 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(C(=O)OC)OO[C@H]2C4=C3C)C(CC)=C1C 2356304939 KYNYKHQLJCCCDE-UJBIJJKCSA-N 885.203 12.487 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](c2cccc(O)c2)SSC1 2356314198 RBJJJRITONONPT-WWOZWPLTSA-N 578.756 6.507 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@H](O)C3CCC(O)CC3)C2)[C@H]1CC(=O)O 2356321508 VAAPPBOJWYZWOU-DDPVILOCSA-N 724.042 6.559 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c(CCCCC[C@H](Cl)CCCCCC)c(O)c1[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 2356352362 RVFXECPBKXNNPT-SOUPFBQBSA-N 835.988 8.284 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]12O 2356353441 OCOAVSLDWWRZCV-XLSJQLJHSA-N 952.426 8.969 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)C[C@H]3C=C[C@H]4Cc5c(NCC(C)=O)c(CO)cc1c5[C@H]3[C@@H]4CO)CC(=O)CC2 2356360478 GXKAYOGHRNCORJ-PTAOPQTJSA-N 953.233 8.178 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356361324 YVNFBYLROPRONE-DAUJHKETSA-N 873.147 8.668 50 1 KKGF CCCC[C@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@H](OC)c2cc(O)c1c(O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c2 2356562679 ZYGXVSICEXXAKB-CKPILRLISA-N 978.010 5.427 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](O[C@H]2OC[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@H]1O[Si](C)(C)C 2356597419 HBCHLHOVNYPIHS-APKRQFMTSA-N 974.724 9.918 50 1 KKGF CC[C@H](OCOC)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC 2356698080 FKZBLCZOLUNILC-ZZWCWOGSSA-N 705.015 6.244 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@@H]2O)O3)-c2ccc(O)cc25)c1O 2356708165 GEWBSZYKQBTSJN-QFOCEUIUSA-N 738.965 8.011 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C(=O)C[C@@H](CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)[C@H]3CCC(C)C 2356753109 SYBSPWRSWKPGHF-RGTAXZLBSA-N 761.108 7.679 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(C[C@H]([C@@H]3CNC(=O)C3)CC[C@@H]1CNC1CCCCC1)O2 2356812179 BSKMDYANXNNYHA-RVPJTGQZSA-N 979.137 5.014 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@](CCO)(CC4(c5ccccc5)CCCC4)C[C@H](O)CC[C@H]3O)C=C12 2356846902 ORRZMJKAQFCAPS-YRMQEWLPSA-N 994.374 7.550 50 1 KKGF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 49672552 OWEDJIZMZBDWGA-QMWFLZDISA-N 638.782 6.814 50 1 KKGF CCCCCCCCn1c(CNNC(=O)c2sc(C(=O)NNCc3nc4ccccc4n3CCCCCCCC)c(C)c2C)nc2ccccc21 95559083 UXIUKNDFBVGQOX-UHFFFAOYSA-N 713.009 8.655 50 1 KKGF CCO[C@H]1[C@@H]2C[C@@H]3C(C)(C)O[C@@](C/C=C(/C)C=O)(C2=O)[C@@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@@H]12)C=CC(C)(C)O4 100774148 IKFKEJSONUWRCD-AHVYCVENSA-N 590.713 5.722 50 1 KKGF endogenous,in-man O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150587018 BJFDRGBCFHJLKG-TWJUONSBSA-N 765.322 10.138 50 1 KKGF CCOC(=O)NN(/C=C/c1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2)C(=O)OCC 169343341 RYUGNMIWPNOSEC-VAWYXSNFSA-N 529.384 5.015 50 1 KKGF CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(C)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 299846987 OYDKXYDHRFNUTK-WMEFCINUSA-N 956.103 5.335 50 1 KKGF Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587179609 CEGMOMRIHQLVGS-UHFFFAOYSA-N 573.079 5.686 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc([N+](=O)[O-])c(Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191299 SLQSRXSHGIMGBZ-IROVJIRSSA-N 641.209 7.156 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587319153 AKDCCLZRBRLKCY-NRSLUSSRSA-N 501.348 5.586 50 1 KKGF C[C@]1([C@H](Br)Cc2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328747 CFURLJNQYAUHKT-JXALWOEJSA-N 509.293 6.072 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)[C@@H](Br)c1ccccc1)O2 587371502 FBUOHWVTDHBOFS-QTJGBDASSA-N 515.245 6.338 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 587680431 OBDNXHVTOKKYFG-LZVRBXCZSA-N 515.604 5.820 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 587714624 AYRIZWNNBAQDKK-GJEGPGMTSA-N 578.904 6.928 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 587719291 KYMBYTMNPQAURG-VVVCHXIZSA-N 515.114 5.799 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br 587842882 GWYKAWOGPZDLTB-BSUMYADNSA-N 919.053 9.774 50 1 KKGF Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587859428 WPWNNPCHRIKSLU-OQRWROFFSA-N 561.948 6.840 50 1 KKGF CCCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)OCC[C@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)CCCCC2)nn1 621431829 PGNMARIWMRNWRY-RMEGFGPTSA-N 919.027 7.616 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678107 PCCDCJGDXVFSTO-RBJSKKJNSA-N 585.063 6.405 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CBr)(c2c(F)ccc(Br)c2F)N1 962693417 FXFVEQYBDXFORW-DYVFJYSZSA-N 547.087 5.123 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](c1c[nH]c3ccccc13)([C@@H](C)Cl)N2C(=O)OC(C)(C)C 962707831 KYVRCDPPSPMXKU-XBJZADGRSA-N 513.009 5.829 50 1 KKGF C[C@@H](Br)[C@@]1(c2ccccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717787 VLHWNKZIXNSJHV-OHRWMACBSA-N 692.576 6.969 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(Br)cc1)[C@@H](Br)c1ccccc1 963612039 RXBNQVCMCAXCIX-VOFHVUKISA-N 531.288 6.380 50 1 KKGF CC[C@H]1CCC[C@H](OC(=O)CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](C)C(=O)C2=C[C@@H]3[C@@H](C=C[C@@H]4C[C@@H](O[C@@H]5O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]5OC)C[C@@H]34)[C@@H]2CC(=O)O1 1911575599 PARFOLVFKVFJDR-SYPCHZMNSA-N 922.129 8.333 50 1 KKGF CCCCC[C@H](C)C[C@@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356299881 IINNUXIDJDEGFG-KFCOBNTCSA-N 900.264 11.402 50 1 KKGF CC(C)=CC[C@@]12C[C@@H]3C[C@H](C(C)(C)OO)OO[C@@]3(C)C[C@@](CC=C(C)C)(C1=O)C(O)=C(C(=O)c1ccccc1)C2=O 2356332435 DWXZAOPXBPXHQB-ILMSYNACSA-N 566.691 6.676 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356352471 UVCJGEHMWARFSM-WYMCOUGXSA-N 823.139 6.467 50 1 KKGF CNCO[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356437326 OMMGDWIQASHXHV-DHIUTWEWSA-N 557.734 5.417 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356522300 CLHGSKANCUGMIH-NRFDLFMNSA-N 841.187 6.850 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356732973 MKOPDDSKRCCERF-QVNWHRPXSA-N 633.914 6.561 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1O[C@]12OC(C)(C)[C@@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356806247 AFSNOWARPBBBDX-OBJYKIKGSA-N 525.823 5.041 50 1 KKGF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)COc1ccc(N(CCCl)CCCl)cc1 5615735 DXVAGWWNINMAJN-ZJJZOENISA-N 577.593 5.950 50 1 KKGF Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3cccc(S(F)(F)(F)(F)F)c3)C2)n1C 58608278 WHOZDXFLKLSAJU-HRAATJIYSA-N 521.581 6.192 50 1 KKGF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@H]1CCC(=O)N2 73241560 JMZJBCNHUJOLER-VKVVIBMVSA-N 563.610 6.336 50 1 KKGF C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 85544632 DUAGAVSEANEZKB-XRROUMOPSA-N 584.838 6.157 50 1 KKGF biogenic,in-vitro Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)C[C@@H]2C=C[C@]1(C3)OC(=O)[C@@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSS2 85593852 VJHKKPSBIMZKRU-RNFWQUPSSA-O 803.943 5.867 50 1 KKGF biogenic,in-vitro CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](C[n+]2cc[nH]c2)(SSC1)[C@H](Cc1ccccc1)CN3 85596454 YLYXPMFYTUYUJP-WGKOWJBUSA-O 683.920 6.925 50 1 KKGF biogenic,in-vitro Cc1cc(-c2ccc(OC(F)(F)[C@@H](F)Br)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103204384 FCIZROQYUKLZOG-OAQYLSRUSA-N 560.798 7.641 50 1 KKGF CO[C@@H]1O[C@H](/C=C(C)/C=C/C=C(\C)CCC=C(C)C)C[C@]12[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 238733624 GGFMZSOFGUQEMN-XJCXYOJXSA-N 500.720 6.378 50 1 KKGF CCCCCCCC/C=C\CCCCCCCC(=O)OCC(=CC#N)COC(=O)CCCCCCC/C=C\CCCCCCCC 238762624 AVSNDOJFLGZFSF-CLFAGFIQSA-N 642.022 12.598 50 1 KKGF C[C@@H](/C=C/c1ccc(C(=O)CN2CCC[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C 253643319 ARRPEMLSARPYRE-DFFCFZDXSA-N 640.963 7.136 50 1 KKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(Br)cc3)c2C)ccc1O 473094102 VTXXZHWEZRWWIT-XAZZYMPDSA-N 573.369 6.107 50 1 KKGF Cc1cn([C@H]2C[C@H](n3nncc3-c3ccc(Oc4ccccc4)cc3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473135771 KPUXCTTUFQLQLC-WYMJOSIYSA-N 575.742 5.859 50 1 KKGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)CN(CCNc4ccnc5cc(Cl)ccc45)C(C)=O)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 473153596 BSMBTMMBZWZQGO-ILYBZTFCSA-N 618.266 7.376 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587319682 COINZOYEOSSYLH-DXBVXKBHSA-N 526.402 6.164 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)[C@H]1c1ccc(F)cc1 587326823 DDLCHPOXYUNLDF-RDPSFJRHSA-N 559.281 6.383 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 587369794 OUDKFINSLGOEOL-XTEPFMGCSA-N 555.027 5.079 50 1 KKGF O=C1C[C@](c2ccc(F)cc2)([C@@H](Br)[C@@H](Br)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505467 IUCVHSGFFRCTEL-URORMMCBSA-N 576.275 7.604 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)ccc2O)N1 587674200 ULHZUTRUABCNBM-VVVCHXIZSA-N 508.023 5.229 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(F)cc1 587728315 AKXHVEMAIGSCKQ-BZQUYTCOSA-N 507.850 6.405 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21)c1ccc(F)cc1 587737427 XMYZXZMXUQYHPR-WTHRHSQZSA-N 508.838 5.972 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2ccc(OC)c(F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937805 IAFBWSLRURPZBK-AUBPVVNVSA-N 662.249 5.454 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)C[C@H]2O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]2C)[C@]64OO5)C[C@H]1C[C@H]3OC(C)=O 1772627820 LKEAXOUPLAXYDC-VNSXUZLZSA-N 814.070 7.443 50 1 KKGF CC(C)[C@]1(c2cc(-c3ccc(S(=O)(=O)N(C)C)s3)cc(C(F)(F)F)c2)C(C#N)=C(N)Oc2n[nH]c(C3CC3)c21 1772645770 JMZZEOLBFICUFE-VWLOTQADSA-N 577.654 5.313 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SS[C@H]7C=Cc8c(ccnc8N7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356300540 MXXQLTYCWXKNPY-KDHYIRKSSA-N 932.218 9.425 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356301060 QUNNISIZTVWMIP-SGJVYYTMSA-N 755.959 7.080 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H](c2cccc(O)c2)SSC1 2356307150 ZEFUYPXEFILTJV-FZADTRDJSA-N 604.794 7.212 50 1 KKGF C[C@@]12CCSS[C@]3(CC[C@@H]4C=C(O)C=C[C@@H]4C3)[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356352481 UXKAWYGZIMOSES-NERQHDGSSA-N 641.944 6.048 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]3(CCCC4=C5C[C@H]1CC[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356358881 YZKKRZDPJVIPEV-ZZGSPTNDSA-N 545.859 6.366 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356360172 ZPSNZCJDFTUTGE-SMFXDGIISA-N 640.960 5.069 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@@H]2O)O3)c1O 2356370818 UHANFPKXFLDAAG-JORLRRJTSA-N 768.991 7.544 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C[C@@H](NC(=N)N)CSSC4)O[C@H]21 2356444950 PEERDASTVYCOSA-QNKLCWTQSA-N 706.887 5.721 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc(c(Cc6ccc(NO)cc6)c(=O)c5c3OC3CCCC3)[C@H](O)C[C@H](NC(=N)N)CSSC4)O[C@@H]21 2356445172 XKMRDHOVSRVVSD-SYDCHDPLSA-N 682.865 5.456 50 1 KKGF CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@H]3C[C@H]4C(C)(C)O[C@@](CC=C(C)C=O)(C3=O)[C@@]14O2 2356471002 NTZQQDZXDGOJFE-MQPOBLIOSA-N 546.660 5.657 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCO)(CSSCO4)[C@@H]85)C[C@]4(CCC[C@]45CCC4(CCCC4)C5)C[C@@H]7NN6)[C@@H](O)[C@H]3O)c2c1O 2356493666 AQJIHVSILVWPLJ-IQYHJKRXSA-N 983.256 6.488 50 1 KKGF C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1C(=O)OCc1cn([Si](C)(C)C)c2ccccc12 2356514804 NDLCJCPSGOOLEC-STSTVOBVSA-N 698.243 7.852 50 1 KKGF CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1 2356528892 MSIVJNMEKJEZGC-FUEWTZTDSA-N 580.894 9.916 50 1 KKGF CC(C)(Cl)[C@H](Br)CC[C@](C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@@H]2O[C@@]3([C@](C)(O)CC[C@@H](Br)C(C)(C)Cl)CC[C@@]2(C)O3)O1 2356808581 YZARRXISSFENGE-MPANVXQWSA-N 739.454 7.354 50 1 KKGF CC[C@@H]1C2=CC3=NC2=CN1c1c2c(cc4c(=O)cc(C)oc14)C[C@H](OOC[C@](O)(Cc1ccc(O)c4ccc(O)cc14)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@]1(CC=C[C@@H](C1)[C@@H]1CNC(=O)[C@@]14CCC[C@@H](CCC3)C4)O2 2356825443 HSEYSWJSBTWTCW-PTLKGISASA-N 974.117 5.599 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356866501 VNRNFOCGCYBIDR-FBCUHZAQSA-N 884.174 7.626 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@H]7[C@@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 253977498 MGVIMUPHKPHTKF-KDYQYDRDSA-N 867.086 5.951 50 3 KKGF C=CCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145627 PTWUEXSNDZIQQV-FMIDTUQUSA-N 531.737 6.935 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O)C[C@H]1O)Cc1ccc(-c2ccncc2)cc1)C(C)(C)C 84669157 ZKMZXBMNTSRUBW-NPHQGNLKSA-N 733.910 5.223 50 1 KKGF in-vitro COc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@H]3c3ccccc3)c2C#N)cc1 96933458 UQRZYIFGDIIKCB-CLJLJLNGSA-N 505.965 5.867 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 135996571 JTXHATPLRKWRIJ-DIPNOVIPSA-N 525.436 5.580 50 1 KKGF O=C(O)[C@H]1O[C@@H](Oc2ccc3c(=O)[c-](-c4ccc(O)cc4)c[o+]c3c2)[C@@]2(O)CNC[C@@H]([C@@H]3CC#CCC[C@@H]4C=C/C(=C/C3)c3ccccc34)[C@H](C3=C[CH+]N=C3)CSSCO[C@H]2[C@@H]1O 150343987 YVCDMOPOEILSEV-TYZQWEKYSA-O 888.053 7.109 50 1 KKGF biogenic,in-vitro C[C@H](O)CNC[C@@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCC[C@@H]5CSSCc6cccc7c6C=C[C@@H](C[C@H]5N)[C@@H]7O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@H]12 150347826 AORSNGUVAJBTBR-HNZFUJRGSA-O 899.253 8.420 50 1 KKGF biogenic,in-vitro C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@@H](N)c6ccc7c(c62)[C@@H](C2=CN=C6C=[N+](C=C26)[C@@H](O4)[C@H](C#C[C@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@H](O)C1 150348905 CAKKWJTWZMJMIN-DEWOFPMSSA-O 940.221 7.264 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC3(C[C@@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)CO3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253632444 DDYNFKIYCLNEIZ-JRDSYRFJSA-N 604.781 6.037 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CSCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253646427 PAJLLRUDJBTVAE-BZSGNENXSA-N 654.844 5.230 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncccc2c1 299829174 ZJSOUMXLZIVSAJ-MUUNZHRXSA-N 645.808 5.919 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3c(Br)cnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054697 HUORCEXYNWUNKX-NTUHNPAUSA-N 566.084 7.261 50 1 KKGF O=C(Nc1cccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1)OCC1c2ccccc2-c2ccccc21 587244765 UCGPETYEUHBYRV-UHFFFAOYSA-N 571.571 9.172 50 1 KKGF CN(C)/C=C(\C#N)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319189 ANTPWRXUJTVMOL-IJUYWSMASA-N 507.359 5.517 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(Br)c2)[C@@H]1c1ccc(F)cc1 587338550 XNLSMOAQPHQDRN-IFMALSPDSA-N 524.155 6.082 50 1 KKGF Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587373091 KYVBOXSWAFNRKA-IUDBTDONSA-N 576.089 7.260 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3C1=N2 587573676 UGFPKWHZIBFRGF-DODOAAEWSA-N 555.590 6.400 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 587672251 FHTZFSKPKZTALG-UPCLLVRISA-N 519.252 6.340 50 1 KKGF COc1cc2c(cc1OC)[C@](C)(c1cccc(NC(=O)[C@@H](C)Cl)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674757 LPNNGTPXMMRYRO-UULLZXFKSA-N 561.000 6.250 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(CNCc1ccco1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962684349 ZZSWHVNUPFCNCG-RUZDIDTESA-N 522.951 5.238 50 1 KKGF C=CCS/C(NC)=C(/C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973470 WGONPJVBJFXXOT-VUIWRTPBSA-N 644.147 6.286 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 963175071 RTCMTNBIXXRKMO-PPHMXGBHSA-N 606.210 7.227 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCCCCCl)(c2ccc([N+](=O)[O-])cc2)N1 963177572 DBXMMFHWERGPMS-LAUBAEHRSA-N 505.320 5.909 50 1 KKGF CCCCCCCCC[C@@H](Cl)CCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772596909 SNZCABRUTZVTFC-QOFFBGHYSA-N 689.846 9.742 50 1 KKGF COCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857560795 BQRMSQJXAYZAON-UZJBXJGHSA-N 593.500 5.067 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1[C@@H]1C(C#N)=C(N)N(Nc2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 1911582930 NBWKASPYANTBHS-PMERELPUSA-N 609.105 7.529 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3C=C[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356300465 MPUJBQIZZXBFMX-FNGPCBRZSA-N 929.307 9.031 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C(=O)Cc4cccc5c4OC(=O)N[C@@H]5N)CC[C@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356349806 OLHDJKUWQGXYIS-OONRRIDJSA-N 789.073 7.188 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@@H]2[C@@H]3C=C[C@H](C[C@@H]3[C@@H](CCCCc3oc(CCc4ccc(O)c(OC[C@H](O)c5cc6c([nH]5)[C@H]5C=C[C@@]7(CCC[C@@H]7C5)[C@@H]6CNC[C@@H](C)O)c4)cc3CO)C[C@H]2N)[C@H]1C 2356354697 OXCRNVLSMMSYQC-KSWWDPCDSA-N 971.388 8.229 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356369437 FZBJRXJWYUEFKN-NAZXIBKNSA-N 793.099 5.285 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CC2=O)C[C@H](NC(=N)N)CSSCCCCCC[C@@H](O)C1 2356730080 FBGZIXONESFIDG-SQCBCDKRSA-N 664.935 5.265 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356777723 CDLJSPAPJITIQM-JZNWKLPKSA-N 813.000 5.505 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356858786 TWNKIRNMDNJXKN-RQJSUBGZSA-N 873.015 5.691 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@H]3C1CCC4CC1 2356874750 YYTKEJQKPHGKHN-UHLFMBSHSA-N 851.064 6.226 50 1 KKGF COc1ccc(N(CCN/N=N/c2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)C[C@H](C)Cl)cc1 28646540 OQMCTCBSARHFKL-SFHVURJKSA-N 524.456 6.758 50 1 KKGF C[C@H](NC(=O)c1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938159 OJNQUVKHPHNWLC-YHHKGDJQSA-N 704.161 7.424 50 1 KKGF Cc1cc(OCc2c(-c3[nH]c(=O)ccc3Cl)noc2[C@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622162 TYHBGPDYBQNGAO-HNNXBMFYSA-N 552.414 6.727 50 1 KKGF CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@@H]2CC[C@H]1C[C@@H](O)CSS2 85597397 OERYIYLVVSNKNF-QBXHBCDTSA-N 583.772 5.978 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C=C(C)N(c2cccc(C(F)(F)F)c2)C(N)=C1C#N 103950533 OBLCOKZYSHJJQN-QGZVFWFLSA-N 533.356 6.531 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@@]34C[C@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 150342229 FFOFEJQGYYMGND-JGGGDGKESA-N 816.234 6.990 50 1 KKGF biogenic,in-vitro CNCc1ccc(CO)c(C[C@@H]2CNC(N)=N[C@@]23CC[C@H]2CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]5CC6=C2C(=O)C[C@@]64[C@@]5(C)CCSSC3)c1 150342252 MDAPOCUUTCBFAR-KOVCOZLISA-N 761.158 5.199 50 1 KKGF biogenic,in-vitro C[C@H](C/C=C/c1ccccc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 150344287 MUHVJBYPMMZNHO-IPEVGTGHSA-O 799.944 5.918 50 1 KKGF biogenic,in-vitro CNCc1cc(O)cc([C@@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3[C@@H]3CC[C@@H]2C[C@H](O)CSS3)c1 150347742 NYJOMJSKGRIZEN-IIZCMQQNSA-N 718.938 7.144 50 1 KKGF biogenic,in-vitro C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(O)c(C)c(O)c([N+]#N)c1C2=O 238755862 PMOCJCMSVGNRIP-AUVMRQGMSA-O 596.959 7.585 50 1 KKGF CCCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253686069 JECQBHPHBSTJDJ-MGPRDMJRSA-N 591.528 6.220 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299810481 ZZMUBGNZEPPZHL-NWCGFZOFSA-N 897.148 7.237 50 1 KKGF CC(=O)O[C@H]1[C@@H](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)OCc4ccccc4)CC[C@]23C)C1(C)C 299821661 GGFGBKKQYNQKOP-FVTHGEEBSA-N 894.254 13.399 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(Cl)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054710 HWBBOJBKZNHSBW-AUWJEWJLSA-N 520.645 7.757 50 1 KKGF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2N1 587123808 JZQFKDVBOHLIJM-UPONEAKYSA-N 526.251 7.154 50 1 KKGF CC(=O)O[C@]1([C@]2(C)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587285072 NVZCSVXQQQUQBJ-XJNVESIKSA-N 869.788 5.296 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC 587319079 ABZNUFAAGXIDBH-PXDATVDWSA-N 517.347 5.206 50 1 KKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](Br)C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 587457047 URJJJGAPLQOVAG-XSJIKKODSA-N 545.558 6.826 50 1 KKGF CC(=O)O[C@]1([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587497970 LPWGSCAZVQYTRL-SDKKCLKLSA-N 625.633 7.931 50 1 KKGF O=C(Cc1ccc(CBr)cc1)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537130 AVFIJBCSCXUHCB-OFSOJUDTSA-N 559.412 5.930 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C(c1ccccc1)c1ccccc1 587544641 ORNXTIZGAPXPDI-HKFHRXRESA-N 550.054 7.544 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(CBr)cc(CBr)c1 587875314 RJNVIASSNPSPOX-UHFFFAOYSA-N 518.076 5.688 50 1 KKGF Cc1cc([C@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1nccs1 962409368 WFIIWTVXALUMPR-HKFHRXRESA-N 625.150 6.688 50 1 KKGF CCc1ccc2c(c1)[C@@]1(C(C#N)=CO2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079833 QIJYJQPNEXQPRI-RWESQFFUSA-N 754.732 8.249 50 1 KKGF Cc1c([C@@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cnn1-c1ccccc1 963201850 SHQKIWKBJJUPRU-DYESRHJHSA-N 528.756 5.090 50 1 KKGF Cc1cc([C@]2(CCCCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)ccc1F 963928917 QKXRMWVUSKNIDV-HHHXNRCGSA-N 528.459 6.539 50 1 KKGF CCN1C/C(=C\c2ccc(S(F)(F)(F)(F)F)cc2)C(=O)/C(=C/c2ccc(S(F)(F)(F)(F)F)cc2)C1 1772601443 UVJVSGRLDKINCE-JYFOCSDGSA-N 555.503 9.373 50 1 KKGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccc(C(F)(F)F)cc3)N(CCCl)CCCl)cc(O)c21 1857552417 VCQUKWNHAWUDJI-JOCHJYFZSA-N 538.349 5.761 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\NC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857554064 ZULFJSHRZLDRKS-PHJNAIPXSA-N 510.763 7.221 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@]4(CCC[C@@H]4O)C3)C1)C[C@H]1[C@@H]2C[C@H]2CSSC[C@@H](C)NCc3ccccc3Cc3cc(O)cc(c3)C[C@H]1C2 2356354360 ZPCRLURFSPEVRH-ADPHSEPPSA-N 740.176 11.295 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H]4c5cc(ccc5CO)CSSC[C@@H](CC5=C6C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]62CC5=O)C[C@]31NC(=N)NC[C@@H]41 2356371307 JFRYEWCCUQVEIL-CUGNNWRJSA-N 744.127 6.667 50 1 KKGF CC(C)=CCC1=C2O[C@H](C(C)(C)OO)CC[C@@]3(C)[C@@H](CC=C(C)C)C[C@@](CC=C(C)C)(C1=O)C(=O)[C@@]23C(=O)C(C)C 2356481920 AYHYQFKEDXRTML-FETXTXSYSA-N 568.795 8.133 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@@](C)(O)[C@@]1(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356487690 IXRANGUGSVRSRI-FBABDBIBSA-N 612.980 11.333 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@H]([C@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 2356498342 RZWFBNOFUAHADD-GCVBKERSSA-N 582.854 6.591 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)CSSC[C@H]1c1cc[nH]c1 2356686280 ZEKFLLPOZYIVOM-CSLKCKJJSA-N 597.799 7.871 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)c(O)c(OC)c1O 2356769991 SZKWIAZIGKCVOY-UAIDQLGMSA-N 682.857 6.811 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356776804 WUKDMOUXHCBPFY-QINUBQTDSA-N 777.100 6.312 50 1 KKGF CNC[C@@H]1C[C@H]2C=C[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(CN5C=C6N=CC=C6C5)[nH]c4=N)-c4cc(cc(N)n4)CC[C@@H]4O[C@@]24C(=O)O[C@@H]13 2356817312 DJQGTDSQSBVGRF-YACROFJLSA-N 888.085 6.170 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3[C@H]1C=C[C@H]4[C@@H](O)C1 2356841200 NFOOZTFTQSUWPZ-LZZVTMFZSA-N 861.015 5.695 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@H]2[C@@H](O)CCCC1 2356844792 NZIFUCFUWBLRMN-BHYVHIGLSA-N 750.040 5.382 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@@H]4C(=CC[C@H]5CSSC[C@H]6CC[C@]7(CCCC78CCCC8)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(C)=C2OC)[C@@H]4C)c1 2356848061 PCDTXIOXHLDHQH-AIFIJYQVSA-N 802.200 10.941 50 1 KKGF COOC[C@@]1(C(=O)OC)C[C@H](c2ccc(OC)cc2)N(Cc2ccccc2OC)[C@@H]1c1ccccc1C 95568578 WAQGQVUPSBQIMP-GFKSZRKTSA-N 505.611 5.438 50 3 KKGF O=S(=O)(CCCCCNc1c2ccccc2nc2ccccc12)c1ccc(N(CCCl)CCCl)cc1 38140021 RJAWWUBFGUFERW-UHFFFAOYSA-N 544.548 6.728 50 1 KKGF C[C@H](NC(=O)c1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938154 OJNQUVKHPHNWLC-OLIKKACWSA-N 704.161 7.424 50 1 KKGF CCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 58592445 NEHSJAVXGQMVJK-JSTSWHIPSA-N 637.729 10.523 50 1 KKGF O=C(Nc1ccccc1)N(CCN(Cc1ccccc1)C(=O)Nc1ccccc1)CCN(Nc1ccccc1)C(=O)Nc1ccccc1 82170510 JLLDWEQGRPZRIW-UHFFFAOYSA-N 641.776 7.816 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@@H](C)CCSSC[C@@H]3[C@@H](O)[C@H](c1cc(OC3CCCCC3)c(O)c(OC)c1O)O2)C4 85567767 SOXOJLAXRKJUGG-QBTUCEFZSA-N 694.912 8.618 50 1 KKGF biogenic,in-vitro COc1cc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 95606298 HSZYRAJKWNJQKW-MEKGRNQZSA-N 771.100 5.366 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](O)[C@H](C3CCCCC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344109 PQIPLOUNOJQDMR-CFQDIDLUSA-N 850.116 9.031 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 150347704 SWCLCJACYNBTKI-XZXQLNGLSA-N 919.216 8.422 50 1 KKGF biogenic,in-vitro O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 150608948 FSSMHHIZSUYNCB-CLJLJLNGSA-N 867.706 10.382 50 1 KKGF CCN(CC)Cc1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C\C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 169350790 QMFWVKSHHGFQOH-MAJILGHUSA-N 790.826 6.167 50 1 KKGF CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O[Si](C)(C)c3ccccc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 253697544 BOEYZKMFZUXYFF-YOMYGHSHSA-N 988.172 5.872 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cccn2C)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253851608 ISKQMPRXCVXJIK-NWZDRIJYSA-N 576.517 5.186 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299818527 SBWFAIGFKMBQFX-ICDINABRSA-N 798.421 5.306 50 1 KKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)cc3)c2C)ccc1O 474609661 SCRIUMMDHPDWET-VFLNYLIXSA-N 529.811 6.286 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325978 IZZDPCRBKGUPKC-BOCWGRARSA-N 526.004 6.004 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 587337906 WGAWHVQYQGTOBS-GCJKJVERSA-N 514.149 6.627 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](NNC(=O)c2ccccc2)c2ccccc2)N1 587744930 DJQJFAXKUYHMHG-OCQCLJPXSA-N 544.468 6.042 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2scc(Br)c2Br)N1 587841301 ALGLUQXOHHRBLN-ZIDLFYJRSA-N 576.949 6.347 50 1 KKGF CC1(C)CC2=C([C@H](c3c[nH]c4ccccc34)C(C#N)=C(N)O2)[C@]2(C1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962770827 UBIGSAOLFRZWAP-SSLSWHBASA-N 532.566 5.591 50 1 KKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@@]2(CCl)c3ccccc3CCN2C(=O)COc2cc(Cl)c(C=O)cc2OCC)cc1 962988062 FHASCIJSRGRSFU-DIPNUNPCSA-N 657.594 8.044 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCl)(c1ccc(Cl)s1)N(C(=O)c1ccccc1N)CC2 963138830 JZKMGHRAPOMLKA-RUZDIDTESA-N 505.467 5.962 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)([C@@H]1C[C@H]3CC[C@H]1C3)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963806465 HANKFVWMJOJFQH-HUGVKQJLSA-N 507.030 5.323 50 1 KKGF COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCC(=O)OCCCCCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772643441 VQXPTOUFMWGMNN-PFZMGBJZSA-N 804.816 6.857 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1ccccc1F)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1857558507 LVMQRZPFFDVNKC-RLBMOIFJSA-N 609.614 5.732 50 1 KKGF O=[N+]([O-])c1ccccc1SSCCNCc1cccc(CNCCSSc2ccccc2[N+](=O)[O-])c1 1857571841 WCXWHCGFCDSGGY-UHFFFAOYSA-N 562.764 6.563 50 1 KKGF O=[N+]([O-])c1ccc(OCc2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 1857602580 NCZWCHMCOYYDFW-UHFFFAOYSA-N 652.620 7.143 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC=C5CSSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 2356351045 OMBSIJMQTQBVQC-JIOLHBLUSA-N 883.185 8.772 50 1 KKGF COc1c(O)c(OCCC(C)C)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 2356365987 XPFDXDVSOSRJAQ-VTRFNVNESA-N 762.987 7.450 50 1 KKGF COC(=O)CCC(=O)[C@]12C(=O)N[C@H](Cc3c[nH]c4ccccc34)[C@@H]1[C@H](C)C(C)=C[C@@H]2C=CC[C@H](C)C=C(C)C=O 2356366352 GONMAPGEEGOZBM-BQOICPQKSA-N 544.692 5.274 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@@H](NC1CCCCC1)c1cccc(O)c1)CC(=O)CC2 2356472413 WKTMOPONNARMHW-TUYDZOLPSA-N 701.951 9.596 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H]2c3cc(OC)c(O)c(O)c3CC[C@H]2SSC[C@H]1c1cc[nH]c1 2356481506 RMYMXOUYPXUOAF-JBRUFHRKSA-N 547.739 6.099 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSS[C@@H](Cc6ccccc6)[C@H]1O2)C5)CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356491351 IOPFBTIGEPHUEN-NTRPWRQCSA-N 990.257 9.723 50 1 KKGF CCCCC[C@@H]1CC[C@H]([C@]2(C)CC[C@H](O)[C@]34[C@H]2[C@H]2C[C@](C)(C#CC[C@@]5(CCCC[C@H]5CSSC[C@@H](Cc5ccccc5)C[C@@H](C)CC[C@H]3O)C(=O)O2)[C@]4(O)CCC2=CC(=O)OC2)C1 2356581681 FRRKRZJAVKCRNO-WIORBOTKSA-N 903.345 11.068 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@H](O)CC[C@]4(C)[C@@H]5CCC[C@@H]5NN[C@@]5(C[C@@](C)(C#CC[C@@]6(CCCC[C@@H]6CSSC[C@H](Cc6ccccc6)C1)C(=O)O5)[C@]2(O)CCC1=CC(=O)OC1)[C@@H]34 2356659789 SCKUCGAPUDDBOI-RJRHPZDDSA-N 861.224 7.675 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356665068 SDDVVKHKNHLYNS-GMNNQKCMSA-N 947.405 11.432 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)CCC=C(C)CNCC 2356717225 KOONJTGWWJENFE-YNOSRJHOSA-N 600.885 5.194 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CC[C@](CC)(C#C[C@@H]3C=C12)C[C@@H](NC[C@@H](C)O)C4 2356845805 OHTUFWHVFZAGPO-DTSQYQQESA-N 903.265 5.674 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@H](O)CC[C@]56CC=C[C@@H]([C@H]46)[C@@H]3[C@@H]2CN2C[C@H]3CC[C@H](CCc4ccccc4)c4ccccc4CSSC[C@@H](C3)[C@@H]21 2356849904 PNIKXJJBTIKUMB-MKXLUBPKSA-N 754.159 9.142 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356855476 RDWVKMRXFATWGM-QFNFEOJLSA-N 823.139 6.228 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4CC5=C[C@@H]6C7(CCCC7)CC[C@@]6(C[C@]6(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]6O)C3=CCNC(=C53)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356864608 VXBGIUBMTYLLNL-LUAWJJBLSA-N 881.082 5.077 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5cnc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC 27638521 HIJUJFRTIIXTKN-FQEVSTJZSA-N 649.060 5.720 50 1 KKGF COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OCCCBr)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 49639930 GQVCMVNFEPZXER-AJQTZOPKSA-N 729.712 8.318 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348708 YNOZUGGTNUTGLV-OHHHTVFTSA-N 913.304 10.059 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2ccccc12 150572688 OJUUBKLAZINHRV-MYOPHAJQSA-N 929.654 9.589 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#Cc3ccc(C#CCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309799 JBBXAQOMVTYUIY-HGYBXZQSSA-N 718.884 6.839 50 1 KKGF O=C(N[C@@H](Cc1ccccc1C(F)(F)F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 587107313 INKDHCBVCZZKNH-NDEPHWFRSA-N 653.595 10.062 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2Br)[C@H]1c1ccc(F)cc1 587319560 CCSANSHQBFCKCU-UNMCSNQZSA-N 506.165 5.943 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 587326788 NCALSOZYMCXHGR-BHDXBOSCSA-N 542.006 6.618 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 587557375 NBJFUERUDYWGGT-SQHAQQRYSA-N 512.364 6.688 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587683173 OBZPFDPDKWBVJY-SOLYNIJKSA-N 551.382 7.979 50 1 KKGF CCCCn1nc(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1=O 653843510 PLSCDKVSODRBGU-UHFFFAOYSA-N 611.746 8.017 50 1 KKGF CCN(CCCl)c1ccc([C@H]2c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962574514 UWAUXDAZWNDGIX-ZWXJPIIXSA-N 582.100 6.497 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C(I)I)C(F)(F)F 962999241 UJCMOFMEZKGISA-OAQYLSRUSA-N 707.652 5.969 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(NCCc3c(Cl)cc(Cl)cc31)c1ccccc1C2=O 963101465 BBFRNPXVKMYMHW-XELLLNAOSA-N 520.243 6.195 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@H](c2cc(CCl)ccc2O)N1 963166339 WOTDBMIYWIDNCT-WEZIJMHWSA-N 590.123 6.501 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@]2(CC[C@@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963241633 WJURELALDVHRLD-RXYILKCJSA-N 579.949 5.066 50 1 KKGF CC(C)(C)C1=C[C@]2(N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)Cc3ccccc32)[C@@](Cl)(C(C)(C)C)[C@@H](Cl)C1=O 963665047 FXMLGIBVGBGXBA-CHDDNEEPSA-N 601.571 5.100 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857540307 UGOWTMYHXHCESE-CJGROPTRSA-N 533.591 7.671 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4cccc(CCO)c34)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356349379 DKOCTZIMLNRUQC-UKAROIFBSA-N 962.244 7.947 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356355344 TWSLQAZHPDXUBG-CAZXVXRPSA-N 787.057 9.383 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]41CCC[C@H]5[C@H](O)[C@@H](O)C1 2356361303 YLFPSYKZMMZICJ-OQBZQXQGSA-N 850.197 7.389 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356369439 FZBJRXJWYUEFKN-QINUBQTDSA-N 793.099 5.285 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356373685 GFDLEAMWTLXELE-FSVQXJATSA-N 967.396 11.439 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2)C[C@@H](O)CO 2356406275 RYWQWUZYZWJLEF-YNOIVCKESA-N 934.278 9.735 50 1 KKGF C#CC#COO[C@H]1[C@H]2[C@H](OOCC)C(=C)[C@@H](OCc3ccccc3)C[C@H]3[C@@H](C=C(C)C(=O)[C@@]2(C(=O)OC)C[C@H]1C)C3(C)C 2356426232 ZZLOONXXVOECAY-XYYYCXFGSA-N 590.713 5.382 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356524088 PQIPLOUNOJQDMR-ZTRMQXDHSA-N 850.116 9.031 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@H]2O)c1ccc(NC[C@H](C)O)c(CO)c1 2356668927 HDMUASCQPLURIQ-YASCMOCTSA-N 762.991 6.831 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@]2(O)CCC[C@@H]4CN(CCCOC)CC[C@@H]42)O3)O1 2356670023 XKVFNCDHZJREFT-ZPXBPBKKSA-N 883.048 5.453 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4NC5=C6C7=C(CN5)[C@H]5C[C@@H]8C[C@@]9(CO)O[C@@H](O3)[C@H](O)[C@@](O)([C@@H]9O)[C@H]8[C@@]73[C@H](CC[C@@H]3C5)c3cccc4c36)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356870316 XPZXRTLVUAPFBB-GMFVKUTASA-N 927.110 5.523 50 1 KKGF COc1ccc(CCn2c(C(=O)NNCCc3ccc(F)cc3)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC 28462621 UNLXQUKWINYTAG-UHFFFAOYSA-N 725.770 6.325 50 1 KKGF O=C(N/N=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 84587994 YGZOCSAEEXLVOF-WCMJOSRZSA-N 662.298 6.642 50 1 KKGF CNCc1ccc(CO)c([C@@H]2C=C[C@H]3CCC4=C5C[C@H]6C[C@@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC4(CCCCC4)[C@]34N=C(N)NC[C@H]24)c1 85549191 GBKYHGURYHAHHU-VJELXEKVSA-N 763.127 6.392 50 1 KKGF biogenic,in-vitro C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 85549439 UBQWRSUQFVDQJA-SKKKPBLDSA-N 531.832 5.623 50 1 KKGF biogenic,in-vitro COc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@@H]3c3ccccc3)c2C#N)cc1 96933457 UQRZYIFGDIIKCB-UIOOFZCWSA-N 505.965 5.867 50 1 KKGF N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C\c2cc(-c3ccccc3)cs2)c1 103265837 SEPHUUPTCHRPFG-VHUXLRGGSA-N 610.764 7.590 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@]14CC#C[C@H]5CCC[C@]5(C[C@H](O)CO)CC[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 150349097 GVVYFGFZHHPKBX-SIMPPEAPSA-N 969.259 7.859 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOCc3cccc(COCC[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297024 PTHJIZVAXJLKNY-VYOXGCOMSA-N 726.948 8.001 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 169313915 ZYLUBFUCBZLRNB-LESVELMZSA-N 583.297 10.518 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169367173 JTXHATPLRKWRIJ-OBCUTFANSA-N 525.436 5.580 50 1 KKGF CCN(CC/C=N\c1cc(O)c(NCCCCCCNC(=O)CCCC[C@H]2CCSS2)cc1O)Cc1ccccc1OC 169722285 IJDWAUUCIBAVEK-INYLQLTLSA-N 630.921 7.524 50 1 KKGF CC(C)[Si](Oc1ccc(C[C@@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](CCc3ccccc3)C[C@@]2(C)C=O)cc1)(C(C)C)C(C)C 195465083 PFPUPXYWDOJOFU-XQNIWRTKSA-N 628.886 8.813 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CCCCCC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 253660997 WGVWKOGGAZAROY-HKYOQMIUSA-N 618.764 6.104 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](Br)[C@H](Br)c1ccc(F)cc1)O2 587385894 WBLVIWOTQZVYSS-JRFVFWCSSA-N 551.225 6.616 50 1 KKGF O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587501772 XQRLXQQTPXPSHJ-HHHXNRCGSA-N 569.839 6.369 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587673338 MBLKTZHEZRMMHB-YYSFKGJASA-N 512.044 6.076 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 587689144 PZBPPDXTNLYDDW-ZAMGYDSWSA-N 506.803 5.921 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)N1 587719832 RHNZJLZUQMQRQI-URZWLTTESA-N 669.047 6.652 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1-c1ccccc1 587897063 UPBORRGFRDHVLR-UHFFFAOYSA-N 563.890 5.786 50 1 KKGF CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CCCl)ccc2OC)cc1C#Cc1cc(Cl)ccc1OC 587918986 DQCVREZNFNBUII-UHFFFAOYSA-N 577.486 5.524 50 1 KKGF C[C@H](Br)[C@]1(c2cc(F)ccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717554 RNGZKDMAACURGD-AKCHCJBCSA-N 710.566 7.109 50 1 KKGF Cn1c(O)cc2cc([C@]3(CCl)c4[nH]c5ccccc5c4C[C@H](C(=O)O)N3C(=O)c3ccc(Cl)cc3)ccc21 963018018 NDYVRGYLLQJQEM-FUFSCUOVSA-N 548.426 5.653 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@H](c2ccc(CCBr)cc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963092207 JNCFICCYHYUOMG-OIDHKYIRSA-N 602.572 8.017 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)(c2ccc(OC)cc2)N1 963158172 NDARPBFYEKKUIA-JUKUECOXSA-N 604.150 6.458 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cc(C(F)(F)F)ccc1Cl 963183897 CKMSHRBXNNVXCD-BJKOFHAPSA-N 519.792 7.120 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229343 VCMHKQQAESUWHA-DKNKIWNTSA-N 745.144 8.174 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1cccc(Cl)c1)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857614468 WQQGSUJPSAKMPS-AVHDWKPZSA-N 626.069 6.247 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]43 2356292779 JDSAMBQAJFSNIF-SYWSZXAASA-N 714.910 5.171 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356301024 PYXYKXYKRWCPFH-AVBZSTJOSA-N 859.124 5.833 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C3CCCCC3)[C@@H]21 2356349563 HVFSMHSJNQCERU-IYYPPXSWSA-N 950.410 8.723 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@H](CSSCO4)[C@H]56)[C@@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 2356350549 FALDAHZBXHSRNO-CFUDGUSSSA-N 784.946 5.458 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@@H]1CC[C@H](O)Cc3cccc(c3)[C@H]3CSSCc4ccc5c(c4CC(=O)C(C)=C1CC[C@]2(C)O)[C@H](NC[C@H](O)C3)C(=O)N[C@@H]5N)[C@H](CC=C(C)C)NCC 2356372488 FWAKTYPVRHCVSW-ZDYUBXCTSA-N 969.368 7.243 50 1 KKGF CCCCCCNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 2356447276 YZHUUIRZXDSPFA-VEBZCNPPSA-N 783.289 12.550 50 1 KKGF CCCCCC[C@H]1CC[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356552477 QZWIJRVIJMNVEB-VNVQMEGWSA-N 503.822 6.861 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356637447 SGXNXTAOWPLVQH-ZHQPOYJTSA-N 857.186 5.739 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNC2=CC(=CCN2)C1 2356805608 ADFHSANPPJGULX-BMGYTMFSSA-N 578.800 6.427 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356815336 CQBOOEZNNUXWBL-FXFAETOISA-N 987.431 9.790 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@@H](O)C2CCCC2)C1 2356856168 RXZXZMRUPZGBHU-BJCWFQPESA-N 931.319 6.454 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4NC5=C6C7=C(CC[C@@H]8CC[C@H](c9cccc4c96)[C@@]78C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)CN5)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356858839 SPBYNESJLDXDMX-LTCQUSMJSA-N 889.061 5.277 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356861029 CZHATUBGFHUMKJ-JCCPFHIQSA-N 743.972 5.687 50 1 KKGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)/C(=C/c1cnn(-c2ccccc2)c1)c1ccc(C(F)(F)F)cc1 40392206 FTJVXKSABFBLBJ-WMHGTNIHSA-N 505.456 5.490 50 1 KKGF C[C@@H](CCCCC(=O)OCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1 95537460 AIECDASIDLJVSN-PFHXHQKFSA-N 778.936 7.722 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NCc3ccccc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 95539779 LQCSCUOIVIKCOS-ZRPLIMKVSA-N 709.921 7.200 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)COC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[C@]1(C)CC2 95543474 SORIDFAWEHLRGI-MTRNGEQGSA-N 861.159 7.305 50 1 KKGF CCCCCCCCCCCC(=O)O[C@@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](C)OC(=O)CCCCCCCCCCC 95614879 SXIYHHBAIJTCSX-TYHGNQNSSA-N 785.170 11.651 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccc(Cl)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 299820240 CTUJTSYLQMMUEZ-GKVNEZTPSA-N 605.110 6.776 50 1 KKGF CCCCOc1ccc(NC(=O)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 299833648 ZAUUXWHQEWGBJS-UHFFFAOYSA-N 512.654 6.348 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191780 XLMPFAJOKIVBIU-YEXLVFSCSA-N 708.660 8.376 50 1 KKGF O=C1c2ccc(O)cc2O[C@]2([C@@H]1c1ccc(F)cc1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587326898 NHBHUEAAUDVSJP-XGRPLBDHSA-N 609.135 6.882 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)ccc(Br)c2F)[C@H]1c1ccc(F)cc1 587335311 QMVBGZSIZQWDFR-AVRDEDQJSA-N 558.600 6.736 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCc1ccccc1 587337842 RYFNRIAILILQGG-OLWNVYNHSA-N 578.011 6.545 50 1 KKGF COc1ccc(Br)cc1[C@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673073 JXLHSNVTNCYTHC-XTZNXHDOSA-N 522.050 5.532 50 1 KKGF COc1ccccc1C(=O)[C@H](Cl)[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690123 ZHUTXEJQTXAITP-BXUPLMHSSA-N 532.837 5.874 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(c1cc(C(=O)CCl)c[nH]1)C(Cl)(Cl)Cl 961747226 HGLWYNJWDWZBEG-QHCPKHFHSA-N 547.310 6.201 50 1 KKGF CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)c1ccsc1CCN5Cc1cccn1C 962394830 BNOXGELCFPKMBH-NUMYTENUSA-N 669.284 6.701 50 1 KKGF CC1(C)CC2=C(C(C#N)(C#N)C(C#N)=C(N)O2)[C@@]2(C1)c1ccncc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962404282 NTVLFABOPFCWPK-DBLACVQGSA-N 638.684 5.369 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](c1ccccc1)([C@H](Br)c1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962638234 SKBZHHYJKGFNGY-LUXHBGHRSA-N 564.476 6.515 50 1 KKGF N#CSC[C@]1(c2sccc2Cl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962721135 ZAYWETDAIHSIFU-ZBWWXOROSA-N 679.214 6.976 50 1 KKGF CC1=C(CCCl)C(=O)N2CCC[C@]3(c4ccccc4C[C@@H](C(=O)O)N3C(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2N1 963101739 VYSNQMVNGJOZOZ-XHFCRVKJSA-N 632.204 6.640 50 1 KKGF Cc1c([C@@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(=O)n(-c2ccccc2)n1C 963212412 DOFUHLNFXICHSH-WLMPYFOXSA-N 740.125 5.749 50 1 KKGF COc1c(Br)ccc(Cl)c1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963412703 FLPIJXQRDDERLA-KDYSTLNUSA-N 632.736 6.383 50 1 KKGF CCCc1ccc([C@]2(CBr)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)cc1 963548514 GDDXWEFMTCUTCF-SSEXGKCCSA-N 610.474 6.949 50 1 KKGF CC(C)(C)[Si](C)(C)OCc1cc2ncc([C@H]3c4cc(O)ccc4C[C@@H](C(=O)O)N3C(=O)[C@@H](N)Cc3ccccc3)cc2o1 963665023 FTVUZMBPIAGAJC-DNCXPJJSSA-N 601.776 5.553 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCCCn4cc(CNC(=O)CCCC[C@H]5CCSS5)nn4)cc3oc2=O)cc1 1857632382 PNZYLPXLBAEYEA-NDEPHWFRSA-N 622.813 6.640 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4cccc(CCO)c34)CC[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356349378 DKOCTZIMLNRUQC-RHKDNTFKSA-N 962.244 7.947 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3[C@H]3CC[C@H]2C[C@H](O)CSS3)c1 2356359577 NYJOMJSKGRIZEN-BTGHUEKRSA-N 718.938 7.144 50 1 KKGF CC(C)=CC[C@@]12C[C@H]3C[C@H]4C(C)(C)OO[C@H](C(C)(C)OO)C[C@@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356531185 RLEFNZSVUBRTHL-FMFNRVPISA-N 566.691 5.739 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCC2(O)CCCC2)C(=C(C)C=O)CC[C@]3(C)O)COCC#CCC(C)=CCC1 2356617315 XPHWCOOGJHTUGU-GOVLXBQYSA-N 576.818 6.694 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5[C@H]6CC[C@@H](C[C@H]61)[C@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356689087 XNGSDPRAMXPNFI-KVQBKNALSA-N 517.805 5.299 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356729530 PIMDWNBQQILOOE-YTGMFLKMSA-N 861.221 7.973 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356764536 OQSUSEXJEFWYDB-YOILCNSWSA-N 965.292 9.008 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SS[C@H]3C=CC4=C(NCC=C4[C@@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356813455 CHBSJNZVPZQNBT-SPPIDTMOSA-N 991.330 8.302 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C[C@H](CO)CC[C@H](O)Cc6ccccc6)c(=O)oc5cc1O2)[C@@H]43 2356826132 HHVUUINRQBOTBJ-AAHWGQCUSA-N 951.221 5.703 50 1 KKGF CC1=C(CCCCCCCCCCCCCCCCCC[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O)C(=O)OC1=O 2356859266 SSSBQGMZIPAJTB-RPWUZVMVSA-N 538.678 6.284 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@]3(C=O)OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356863261 UQIKUJWKBDKKDO-XKOPNTQZSA-N 967.132 5.542 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@@](C)(CC[C@H]1CNC(=O)C13CCCCC3)O2 2356866428 WPNCYIZVSXVGOU-HCTSMXABSA-N 910.030 5.036 50 1 KKGF CCOC(=O)C1=C(CSc2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802467 RBXKJOZSEFAMAW-HHHXNRCGSA-N 557.682 6.853 50 1 KKGF NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](C/C=C\CCC3CCCCC3)C2)[C@@H]1CC(=O)O 85505525 JRFGDUWPWCOPAD-ZEHXODPMSA-N 676.045 9.647 50 1 KKGF biogenic,in-vitro O=C1C(Cc2ccccc2)=C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 95560566 WBMMVRGIJGTNFU-UHFFFAOYSA-N 609.726 8.134 50 1 KKGF O=C(NC(=O)N(SSNc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 103201858 DHSQUENBWMEEQC-UHFFFAOYSA-N 597.946 7.817 50 1 KKGF CCCCC[C@H](C)CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2 150349159 FYWJWTFAFKRONL-OLZGAHSTSA-N 889.217 9.769 50 1 KKGF biogenic,in-vitro O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)[C@@H](CSSC[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)Cc1ccccc1 169343955 PSWMWFZRKCACRI-COZYGUBDSA-N 865.130 9.027 50 1 KKGF N=C(CCl)NCCCCNCCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 299824368 KLJILFUKWXPNKZ-UHFFFAOYSA-N 638.190 5.601 50 1 KKGF COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3oc2=O)cc1OC 299833256 KIJXZDGKYBOUIS-VWLOTQADSA-N 512.562 5.237 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587009454 GLABDANQCXOLDX-QHCPKHFHSA-N 542.448 5.137 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(I)cnc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189451 BZEFKIRKRPPVLO-BBURBPSPSA-N 723.096 7.248 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)cc(C(=O)O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191227 RKLGQVAQWRKMDM-YEXLVFSCSA-N 623.766 6.432 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)CC2=O 587456079 KHDUEYAIQIUGDT-SANMLTNESA-N 528.830 6.241 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)(C)C)cc1 587685745 AZCASCQUWRXHKB-CHAGWJKLSA-N 517.914 7.310 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@@H](C)[C@](OC(=O)c5ccco5)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23Cl)N1 587692062 JMJKGMMXVVUYMG-SKBVVCEKSA-N 735.518 7.631 50 1 KKGF C[C@@]1(c2cccc(N3Cc4ccccc4C3=NC(=O)CCl)c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962714803 VRGSRKSNAWOYRU-HOFKKMOUSA-N 559.947 5.239 50 1 KKGF CC(=O)NCCc1ccc([C@]2([C@@H](C)Cl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963041073 QIZGCUIXGBJHNB-ZTTVADNOSA-N 659.129 6.775 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CBr)(CC[C@@H]2CCCO2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041929 ZSVVULDFTKBHCI-VKBJCSOFSA-N 626.494 6.775 50 1 KKGF Cc1ccc([C@@]2(CCCCCCCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963181576 AEZBBPYAQPCIJR-IKYOIFQTSA-N 598.139 8.281 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1C(=O)OCC1c2ccccc2-c2ccccc21 963187107 LNUIIXNCTBUPHC-ROUMXBAISA-N 682.570 9.076 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)nc2ccsc12 1772643193 GVCHBMCBPBRORW-ONEGZZNKSA-N 574.732 5.361 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](SC#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857544436 HJKFLRZMPNAMGY-NBCTUMTRSA-N 513.788 7.570 50 1 KKGF Cc1ccc(C(=O)/C=C/c2cc3c(c(C(C)(C)C)c2)OC(N)=C(C#N)[C@H]3c2c(C)[nH]c3ccccc23)cc1 1857632071 CESIYOZNJXZEGP-RNTOTWSWSA-N 501.630 7.197 50 1 KKGF O=C(COc1ccc(N2C(=O)[C@H](Cl)[C@@H]2c2ccc(Br)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911586283 MJBPKPBHFGWISY-MHZDZULNSA-N 702.009 5.382 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356292329 OPAOLUXJRSYOEO-SVMZESKWSA-N 875.215 7.871 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CC3(CCCC3)CC[C@@H]1CC[C@@H](CO)OC)CC[C@@H](O)CC(=O)CC2 2356367485 FNUXVUFAYOGWDY-OCVFVHLUSA-N 987.339 6.802 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(Cc5cc[nH]c(=N)c5)CC(=O)N(Cc5cc(c6c(c5O)O[C@H]5CCC[C@@H]5CC6)C[C@H]1CC[C@H]3C2)C4 2356409563 LSPCJQXLIQFFCN-ZHMZBUJGSA-N 957.361 9.196 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@@]45CC[C@@H](CSSC[C@@H](CC[C@@H]3O)[C@H](C)CC[C@H]4NCCO2)C5)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@@H]2O 2356432857 OQFHKKSUYYFZJW-OOOOXVFYSA-N 938.262 5.254 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NCCCCO)c1cccc(CO)c1)CC(=O)CC2 2356434851 GTNWTMPSXPSDCU-NXVGIJDASA-N 705.939 7.822 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@H](CCc1ccccc1)CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@@H](CO4)C3)CC[C@H](O)CC(=O)CC2 2356605983 YDNBBZWIYBSGKW-PFHKDPHASA-N 851.148 6.598 50 1 KKGF CC[C@@H]1O[C@]2(CC[C@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@@H](C)C=CC=C(C=O)c3cc(O)c(C)cc3C(=O)O1)O2 2356641218 JGPJFMHMGCEUNW-CWPXYBSNSA-N 522.682 6.841 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O 2356721693 MDJUKVWHUGUICN-SLNKEIPGSA-N 712.883 6.200 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356769191 YFVKETPDTZRPQT-RKIFWOBRSA-N 775.084 5.658 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356822236 FTGZCWKOEYIQJL-NBGXSDHYSA-N 900.085 5.962 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CC[C@]7(CCCC78CCCC8)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4C)c1 2356829128 IVEVHBQQQNBKTD-IOWSMWCXSA-N 818.199 9.914 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC5(CCCC5)[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@@H]1CO)N43 2356829434 IYGLSPFEEPOFST-CACCABMRSA-N 818.155 8.324 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSS[C@H]6C=CC7=C(NCC=C7[C@H](CN7C(=O)C=CC7=O)C3=C4C(=O)O5)N6)[C@H]21 2356851762 QJOAMJWRJYWOPJ-JDVJONPMSA-N 711.906 5.886 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356858198 SXDSRTWPELZSGX-ZEACJORYSA-N 941.318 8.170 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356858784 TWNKIRNMDNJXKN-AGHPXILWSA-N 873.015 5.691 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@@H](O)[C@@H](CCC1)CC2 2356866657 VOEKTCBMXBYCFH-WJYJWVGGSA-N 776.078 5.772 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356873661 YHQLBLRPISMXOM-BBMPBKHXSA-N 905.285 8.310 50 1 KKGF Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 3943661 NGNYYOJUGIBULM-GOSISDBHSA-N 538.991 6.645 50 1 KKGF COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5cnn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC 27634123 KLALDDJAGLCCEE-HXUWFJFHSA-N 649.060 5.720 50 1 KKGF CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1 28863603 QQOQYSRVJHIFNC-UHFFFAOYSA-O 574.790 5.802 50 1 KKGF COc1ccccc1[C@H]1[C@H](Cl)C(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs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l)CN(CCCC[C@@H](C(=O)OCCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 299871126 XUZGGFXWWABXAF-SDHOMARFSA-N 511.578 5.990 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3[nH]c(=N)[nH]c(Cl)c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191243 RPYFIHYSNUJWEO-TXJNDQRYSA-N 613.203 5.402 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O 587940857 QBKBGCBJNZQEKI-CJUROJHHSA-N 813.386 5.001 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CC(c3ccc(Br)cc3)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653720440 DWJKWPKCONDQJL-GJXDXPGMSA-N 650.404 7.485 50 1 KKGF COc1cc(/C=C2\CCC/C(=C\c3ccc(OCCCN4CCOCC4)c(OC)c3)C2=O)ccc1OCCCBr 653751719 NXOUHVXYTSTCKY-CRYYDKFDSA-N 614.577 6.189 50 1 KKGF Cc1cccc(Br)c1[C@]1(CBr)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962647998 VZCJBHFFCFBRMK-GOTSBHOMSA-N 518.249 5.043 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(C3CCC3)[C@@H](C)Br)c(O)c2C(=O)O1 962962930 DJIVFRFYLKIAJF-UATAUNENSA-N 576.871 5.078 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(/C(C#N)=C/C=C/c1ccc(OC)cc1)C(C)(C)C 962991952 WCGCUSYNVAFPLU-JPPCOFBFSA-N 613.154 7.428 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)C(=O)[C@]1(C)CC[C@H]2[C@@]1(C)CBr 963175771 RYYPRAINYNSPFT-LVFBJXTISA-N 664.644 6.562 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@]2(c3ccc(OC)cc3C[C@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364667 GMNFZWQWEJDORZ-UKAHRKLESA-N 640.530 6.313 50 1 KKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832259 MNFHQWLNPRLTJB-RPLLCQBOSA-N 527.865 6.907 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](COc2ccc(C(=O)Cl)cc2)(C(C)(C)C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963930329 YPCHPHZUOWVNID-DCXQXGIRSA-N 714.350 6.523 50 1 KKGF CCCCN(CCCC)c1ccc(/C(C)=C/C(=O)O)cc1NC(=O)N/N=C/c1ccc(C(F)(F)F)cc1 1857566539 JDQXBKVHSPGMAD-DLCYTLQASA-N 518.580 6.756 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857587692 VIBJAJZLLMHSDU-FXFVSWTPSA-N 632.072 6.599 50 1 KKGF CCCCCc1cc2c(c(OS(=O)(=O)c3ccc(C)cc3)c1)[C@@H]1C[C@@](C)(OO)C=C[C@H]1C(C)(C)O2 1857652815 JROLWGYWXKMHHA-MRJKTFCFSA-N 500.657 6.574 50 1 KKGF CCCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857742262 DKLOAGISDQBUCQ-LVMJEYPOSA-N 531.734 5.504 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@@]3(CNc3ccc(Br)cc3)CC[C@@H]2[C@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1857761545 IYBMVGNIWADWEK-GCXCVHSYSA-N 800.907 8.213 50 1 KKGF O=C(Nc1cccnc1Cl)c1cc(N(Cc2cccc(C(F)(F)F)c2F)C(=O)CCl)cc(C(F)(F)F)c1 1857767350 PDOKZRYOPDMNCP-UHFFFAOYSA-N 568.276 6.936 50 1 KKGF C[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCC=CCl 2356542174 MRHBLGIXICCSSZ-UQGHGMQMSA-N 513.138 6.324 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCCBr)CCCC[C@@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356624543 GMONSDQGAGUQRU-ZSZRRZMASA-N 749.784 10.639 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@H]41 2356760403 HEHHAVLIZIEJLP-GCGHFFDTSA-N 894.258 5.840 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 2356865641 VKVGNVGHMWVEFX-MESWMRGHSA-N 845.100 6.117 50 1 KKGF CCOc1ccc(N[P@](=O)(Oc2c(F)c(F)c(F)c(F)c2F)N(CCCl)CCCl)cc1 2027798 HLOGKZJSTOMNQQ-HKBQPEDESA-N 507.223 6.159 50 1 KKGF COC1=C(CO)C(=O)O/C1=C1/OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 85532332 AKWNLQFCYZEMGU-XITWRZAGSA-N 603.847 5.542 50 1 KKGF biogenic,in-vitro C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)C(C)=O)[C@@H]4CC[C@@H]3C2)OO1 95572304 HTTOORUOVMVXCQ-MRSZIMKESA-N 585.623 8.390 50 1 KKGF CCOc1ccc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc1 102907893 RTPCIKLMYBCNQV-KNSVKZIZSA-N 578.702 6.585 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](CC[C@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O 169621806 QQYZBYZNIRPGDE-FSSWDIPSSA-N 571.626 6.860 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 195192175 RWPJHYYGAGYJMG-AOWNHWINSA-N 846.465 6.345 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si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r)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@@]34O)O2 299825447 COEQIDDEZCASCC-AMBHAFNWSA-N 980.040 6.797 50 1 KKGF CCCCS(=O)(=O)N[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C 586932478 FWOTYJUXQPNUCW-ZDUSSCGKSA-N 514.380 6.399 50 1 KKGF CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587326508 LQIVOTNZGOEVLH-XRLXDXPRSA-N 681.628 8.290 50 1 KKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OCc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587412377 BBXQIKOZPNMRHA-UQBPGWFLSA-N 510.340 5.220 50 1 KKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537433 FKXJYYVTBULQBL-WVUAZYBMSA-N 522.233 5.689 50 1 KKGF O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542088 FOFDGUCWYZLQKW-ZQAZVOLISA-N 532.979 7.344 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544227 MQRBKWXPWRFWDY-LNXMHQMYSA-N 733.641 7.406 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@]2(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)N1 587694667 PWZFBZCBPCALCT-UHWISWKUSA-N 735.518 7.631 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)N1 587719252 PVXWUPCVMKAJPI-BDFUESOBSA-N 669.047 6.652 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)c(F)c2)N1 587724717 LKVFVDPORPBCCC-HUTHGQBESA-N 510.014 5.663 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CBr)(c1ccc3ccccc3c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962618955 FYFDNVDAURPLCV-CUBQBAPOSA-N 538.438 5.927 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CCCCl)(c2ccc(Cl)c(Cl)c2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962712110 MFXTUGDLZBQNOB-DYKQPOOOSA-N 713.052 8.373 50 1 KKGF Cc1cccc([C@@]2(CCCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c1 963064019 FYSSSUGJIIVPHD-LXWOLXCRSA-N 513.034 5.346 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)C(C#N)=COc1ccccc12 963166439 XHYJCSFMIGEIOT-WNOXWKSXSA-N 590.683 6.010 50 1 KKGF Cc1cc(F)c([C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1Br 963177069 JAQDFTYLVOUFEC-WMZOPIPTSA-N 559.579 5.806 50 1 KKGF Cc1cc([C@]2(CCl)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 963195563 OXGCBCOFXYWUEI-YDYNHKSESA-N 599.587 7.962 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356292462 HMIPWTRJAHFUMS-STERGPOCSA-N 821.123 6.558 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CCC5(CCCC5)C4)[C@@H]4C=C[C@@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356299588 FFNYFZBAMDWJPF-OEEBLJSESA-N 867.055 5.732 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)[C@@H]2CCC[C@@H]3[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC[C@H]4C[C@H]3[C@@]2(C)[C@@]14O 2356357315 RQNSDUUAMGJWLJ-YCKZRIHBSA-N 951.398 6.998 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356361326 YVNFBYLROPRONE-RJHFHABLSA-N 873.147 8.668 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NC[C@H](C)O)c(CO)c1 2356363111 HFJYAEKLXVECAL-MBMHWEKUSA-N 746.992 8.033 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]41CCC[C@H]5[C@H](O)[C@@H](O)C1 2356366536 KZIPILLGHQBMAR-JDJXISFJSA-N 880.223 6.607 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](C(C)C)Cc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOC)C3)c2)N1 2356465898 KYTSJXIJXUBRGZ-SHCXBVFGSA-N 769.087 7.589 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)C1(CC=C(C)C)CCCC1 2356620451 STTUJEJVPBLZIR-HPFKJMKESA-N 614.864 5.518 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356809747 ASSYQPXIDJTPOE-CXVUGCHSSA-N 639.968 7.292 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](C1(N3C=CNC3)CCCCC1)c1cc2cnc1N 2356847018 OSSQCFOSVAKXAT-LUSCYJSOSA-N 660.906 7.269 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCNC(=O)CCCC[C@@H]1CCSS1)O2 27424557 XAYLHSGZUGVTJB-SKCUWOTOSA-N 536.804 5.908 50 1 KKGF CNCc1cccc([C@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC[C@]34N=C(N)NC[C@H]24)c1 85549261 UAGDOPPOQNCNBA-FMSODCRJSA-N 666.998 5.421 50 1 KKGF biogenic,in-vitro C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@@H](c3ccc(NO)cc3)C=C[C@@]6(O)C3(CCCC3)[C@@](CO)(N=C(N)N)CSSC4)O[C@@H]21 85594338 IFAFKNVDGXHZGD-IAAPVPROSA-N 791.005 6.044 50 1 KKGF biogenic,in-vitro Cc1ccc([P+](Cc2ccc(Oc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95551742 ZZLPZVBAFAILAZ-UHFFFAOYSA-N 804.995 12.318 50 1 KKGF COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(/C=O)CC/C=C(/C)CC/C=C(\C)C3)cc3c(c12)OCO3 169291407 CNCKKGCRDGSHDH-YXHFDZPFSA-N 557.599 7.146 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](N2CCC(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)CC[C@H]1N 169954906 PUWBROBUTNCTMH-KODFZCBSSA-N 661.331 6.289 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 299825460 COEQIDDEZCASCC-JJESCMNZSA-N 980.040 6.797 50 1 KKGF CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299843336 CLNSNWKRDSPCEI-IOLVHAQLSA-N 980.040 6.533 50 1 KKGF COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(C(=O)NN)cc4[nH]3)cc2)c(OC)c1 587221899 WQQMNYDBDDHXJJ-DIPNUNPCSA-N 669.738 6.391 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319125 AGZZBZAJBMGEDK-DKIGARLYSA-N 510.359 5.454 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 587319231 AWLPQNPMKKMNJZ-ITHJLQSDSA-N 537.812 7.575 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)CCC2 587325630 GJVHAWRFKSQODY-BVRKHOPBSA-N 516.012 6.921 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587369403 GZMXIRIYSINFDE-ILJQZKEFSA-N 580.077 5.766 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O 587496715 STHZJNCBFXBJSG-NDEPHWFRSA-N 510.055 6.371 50 1 KKGF COc1ccc(Br)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539519 WTAHFIQUYIAWFD-UGKGYDQZSA-N 520.173 5.415 50 1 KKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541935 DUNLRFZPLGEQLH-VUAYVDPTSA-N 515.005 7.061 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br 587558253 VWHSIOCCJNLDQJ-IIBYNOLFSA-N 577.027 6.811 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OC(F)F)cc2)([C@@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 587716479 JDGWBWVCFVQTEY-XFZANQJVSA-N 604.797 7.059 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(CC(=O)N4CCN(c5ccccc5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653755863 BUPZBWMQLFKJSH-OVFWZDFSSA-N 562.707 5.165 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CCl)(c2ccc(Br)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962567555 HMOPUGFUDLGSJZ-GRKNLSHJSA-N 621.890 6.726 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc(C)c(C)c1)([C@@H](Cl)C(=O)c1ccc(C)c(C)c1)N(C)[C@@H](C)C2 962628011 NUZDDZUZXDRVOY-TZJDENGASA-N 506.086 6.548 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3c(F)ccc(C(F)(F)F)c3F)N12 962648772 WTMUSZQUUVZEQZ-VXKWHMMOSA-N 529.303 5.269 50 1 KKGF N#CC(=C1Nc2ccccc2N1)[C@]1([C@@H](Cl)c2ccccc2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975799 YQXBJOLLVAIJLE-CHZKFRDHSA-N 527.358 5.665 50 1 KKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963074480 MENQNKRTXZDNPF-DTDSPBSJSA-N 823.279 9.644 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@H](c2cc(Cl)cc(S(F)(F)(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963363475 DKIGMHWCWJSKTE-XZWHSSHBSA-N 666.064 9.141 50 1 KKGF CN[C@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H](CO)CCCO)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356294756 RDNCMVJIUPPESB-YWEHKCAJSA-N 667.846 6.034 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](O)C3CCCCC3)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356300497 MUIWYRWCAIBLJM-HMUCFCOSSA-N 949.293 10.179 50 1 KKGF CCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356350426 BXOURQXHFKFJDA-JQWMAEDPSA-N 846.128 8.566 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@H](CCNC)Cc2cccc(c2)C1 2356354939 AVESQOFIRGERKA-LJAXRWNBSA-N 718.036 5.132 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356359733 RMYUEBFSQAJCFH-FJSUZTSUSA-N 805.120 7.643 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@]34C[C@H](C[C@H](CCCCNC(=N)N3)C4)Oc3cc(ccc3O)C2)C1 2356360886 QSJFCWYCYGJVRJ-ZLYBUKSZSA-N 793.021 6.810 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(C)O)C1(CC=C(C)C)CCCC1 2356369717 YWMBPTVJKPWBEE-VJNQYTJZSA-N 564.807 6.162 50 1 KKGF CCCC[C@@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 2356399241 QSSPVYZUPDQNSI-GNOCNUGUSA-N 815.869 7.954 50 1 KKGF C=C(CO)C(=O)O[C@@H]1[C@H](OC(=O)C(=CCCC(=CCCC(C)=CCOC(C)=O)COC(C)=O)CCC(=C)C(C)C)C(C=O)=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]12 2356565147 QLBJSUHGWCUOJG-NAGBALJGSA-N 778.936 6.800 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCO)CCCCC4)c(=O)oc3cc1O2 2356657623 OIBVTPRLRHZONI-AVBZSTJOSA-N 859.124 5.833 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356740578 TVIHWJYNGLYMIW-OBYYQJQSSA-N 887.174 8.885 50 1 KKGF CCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@H](C)C1(C)C)O[C@@H]2O 2356752889 CAEDYXLYBKMFFK-CSPMHIGPSA-N 683.027 10.276 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2)N1 2356754950 WESNDGOXVMPKAH-JGLKGSLASA-N 797.097 7.295 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24CCC[C@H]3[C@H]1OC4=O 85593929 XLWXSJGQPGEKIK-SQSHOTLRSA-N 688.828 5.814 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 85594574 XTYNQBOCOYPOLQ-YNVSDVMXSA-N 801.044 6.004 50 1 KKGF biogenic,in-vitro C/C(=N/NC(=O)/C(C#N)=C1/SC=C(c2ccccc2)N1c1ccccc1)c1ccc(N2CCOCC2)cc1 96927935 WGCFOVQGXBMCIH-GEGWUBBZSA-N 521.646 5.351 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCCCNc1c2c(nc3sc4c(c13)CCCC4)CCCC2 98084419 DUJCQSYDRVRFTN-SFHVURJKSA-N 503.803 6.686 50 1 KKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 143348745 SFXFJEZXIQVKPD-GUNPPRBASA-N 539.463 5.668 50 1 KKGF CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(I)cc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195438534 LUAOLELTCQIQEP-VBHAUSMQSA-N 797.844 7.109 50 1 KKGF CCC(=O)N1CCC[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 195820409 IZSGUIXILFQTFT-VLZSCWPOSA-N 573.979 8.435 50 1 KKGF CCCCCCC[C@@H](Cl)[C@H](CC[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O 231928780 QQYZBYZNIRPGDE-BDTNDASRSA-N 571.626 6.860 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 253656197 UXWIVRBMVBCLQU-GCFOBVLBSA-N 552.752 6.969 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(OC)c1)C(=O)Nc1ccc(C)cc1-2 253883843 PMWOCSNEQXYBPS-GOSISDBHSA-N 537.280 6.878 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](N)CCl)[nH]c3cc21 587010456 KLFNXUICOQWZRN-XMMPIXPASA-N 560.098 6.062 50 1 KKGF COc1ccc(-c2nnc(-c3ccc4nc([C@@H]5CCC[C@H]5[C@@H]5CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O5)[nH]c4c3)o2)cc1 587190077 HREYFWNZICTCOY-LLYZYBLHSA-N 735.926 8.320 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(OCCN(C)C)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191363 TVGQVECQTOKCJL-UTDOBGAJSA-N 648.889 6.535 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Br)ccc(Cl)c2F)[C@H]1c1ccc(F)cc1 587336012 SDOPHNJHRFVMQU-AVRDEDQJSA-N 558.600 6.736 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1 587337026 UQLJYSKFWJZFPD-IAPPQJPRSA-N 528.382 7.225 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587542454 HEVYKXNPQIMZPH-DGWUCTPZSA-N 560.389 6.061 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCc1ccccc1 587545393 RKUQMSVTIPAWIS-HEWUYBSCSA-N 544.003 5.869 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 587549738 RJMRNZRQVVYTJP-GHTZIAJQSA-N 547.245 6.682 50 1 KKGF O=C1c2ccccc2C(=O)N1c1c(CI)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625229 CKMHTZBNRBWCSP-UHFFFAOYSA-N 538.185 5.941 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)([C@@H](Br)C(=O)c2cccc(Br)c2)N1 587669597 FKDOOFDXDIWVLZ-YQQIJLMBSA-N 675.028 7.537 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br 587846113 TZEMVSZPCYMDBZ-ZEKRQZSVSA-N 919.053 9.774 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587851022 UHFXVQKUAYCCRB-NBSZDIBVSA-N 788.867 11.177 50 1 KKGF CC1(C)[C@@H](OC(=O)CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 587948171 JTRBAOZYKSDDPH-KBPXLNODSA-N 768.930 11.130 50 1 KKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@@]2(CCl)c3ccsc3CCN2Cc2cccn2C)cc1 962378711 ULBKBWHNXBGBRF-SSEXGKCCSA-N 516.110 7.174 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CBr)(C2CCCCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962570182 KGXSRYJTMGPJRT-GRKNLSHJSA-N 575.503 6.513 50 1 KKGF COc1ccc2c(c1OC)[C@](c1c[nH]c3ccccc13)([C@H](Cl)c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682007 TZXCEDRJWJINSM-ZQWAWDFXSA-N 605.056 8.126 50 1 KKGF CC[C@@H](Cl)CCn1cc([C@@]2(C3C(C)(C)C3(C)C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc21 962959024 RBLHUDGBDWJCOZ-DHYKOVJISA-N 587.170 8.645 50 1 KKGF COC(=O)c1cc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O 1857536409 MXULWWCZQLPGCQ-UHFFFAOYSA-O 611.783 8.843 50 1 KKGF C=C1CC[C@@H]2[C@@](C)(C(=O)OCCCBr)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 1857653480 XHLWKGHXKZNQNN-GNPDMKRWSA-N 613.589 7.730 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOC(=O)CCCC[C@@H]4CCSS4)c4ccccc34)[C@@H]21 1857747511 KEPMRPWXFNWASE-GPNASLBKSA-N 591.843 7.606 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C2CCCCC2)CSSCNc2cc(ccn2)[C@H]1CN1C(=O)C=CC1=O 2356321358 ISUZQWDVJDGTAT-YHJKUYGTSA-N 753.987 8.152 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@H]2NC(=N)NC 2356373311 XRHXBDQIJMPJQH-AUNVGRLESA-N 717.103 5.989 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H](C(=C(C)C=O)CC[C@]2(C)O)[C@H](CCO)CC[C@@]13O)CCC=C(C)C 2356422400 BOCRHDOORLNBLG-JPDBKSEFSA-N 512.731 5.360 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356487693 IXRANGUGSVRSRI-RGEYYOIHSA-N 612.980 11.333 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@@](C)(O)C1CCCCC1)C4 2356616515 ZOMPPAORLVCEBS-PTHWEPKQSA-N 739.862 5.927 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356760310 WXQVGGRUYWUPNJ-DDINDMQJSA-N 925.305 7.444 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](O)C(C)(C)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356793000 KECQQVSCCHRDPW-KZVDRPAKSA-N 587.636 5.989 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCC[C@H]4C=C[C@@H]5C[C@@H](c6ccccc6)C[C@@]4(C#C[C@@H]3C=C12)[C@H]5CO 2356818781 DWESZVYYLPEPAH-IAUJHJFBSA-N 974.343 7.893 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356836863 LELMGULNVJKKNX-JQKRQSEJSA-N 931.323 8.746 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356838892 MEGGYLBCRRSXAC-GNVSTDMWSA-N 961.393 9.400 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@H](O)[C@@H](CCC1)CC21CCCC1 2356843642 NNWBGJMDPOEAPP-LUYLIMQXSA-N 856.208 7.259 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356848458 PEYWUSDRFGZXCH-HAPMQVHLSA-N 666.006 7.825 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)CC5=CN[C](N)C=C5[C@@H]2[C@@]12Cc1cc5ccc(=O)oc5cc1O2)[C@H]43 2356865102 FJSBGUVFNGCHTL-ZFKXBWAISA-N 670.833 5.093 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356874908 ZWOBEMJRBXEXFL-IAVVUNLPSA-N 928.139 6.742 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCNC(=O)CCCC[C@@H]1CCSS1)O2 27424562 XAYLHSGZUGVTJB-DFHRPNOPSA-N 536.804 5.908 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2cccs2)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 44419361 GBKOOYWEIMAPGC-CPJSRVTESA-N 546.066 5.224 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 58487286 ABAPNRUCCZDZNU-DRGKNTJDSA-N 675.904 7.184 50 1 KKGF O=C1C(Cc2ccccc2)=C(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 95559518 IQOILTQXPWJYOO-UHFFFAOYSA-N 567.645 6.963 50 1 KKGF COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCCCCCCn2cnc3c(Cl)ncnc32)OCO4)cc(OC)c1OC 95575944 YFHIQTRBKUWYER-VSGBNLITSA-N 649.100 5.382 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccc(Cl)cc5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916469 WBKFWDNJRRIZCW-FOKFESALSA-N 519.085 6.533 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\NC(=S)NC4CCCCC4)[C@@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118921306 SDCCQWNRCAMEHH-LCXHWSFQSA-N 576.379 9.478 50 1 KKGF CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)C[C@@H](Br)P(=O)(O)O 146286342 JGCATLCTRCCGRP-KFKZIDAKSA-N 513.450 6.217 50 1 KKGF CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C 169291989 QSBKSFLMMQOILO-KONXUGJESA-N 534.693 7.064 50 1 KKGF CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C 169326723 PTYVCIVEJQEWFZ-PBBIDIDISA-N 879.828 5.734 50 1 KKGF C[C@@]12CO[C@]3(P(=O)(c4ccccc4)c4ccccc4)C[C@@H]1CC[C@]32CP(=O)(c1ccccc1)c1ccccc1 169715560 UIBHSDQMFKDEOB-NZLXTDEOSA-N 552.591 6.548 50 1 KKGF CC(=O)O[C@@]1(C)C(=O)O[C@@H]2C[C@H]1C[C@H]2[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@H](OO)C1=C(CC3)C(C)(C)OC(=O)C=C1 238772214 GOYJHQBWJDXLDK-KPTSPEHKSA-N 554.680 5.613 50 1 KKGF C=C(c1ccc(OC[C@@H](O)COc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 253669565 RPBUJHDUJTXPIX-KKIVPZFCSA-N 580.674 5.766 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299830018 LTLNAIFGVAUBEJ-HBBHRCESSA-N 826.475 6.085 50 1 KKGF CCCCCCN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 473126769 UQUZRAJAPOQZLP-YYHAPLCHSA-N 572.834 7.751 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)c(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190519 LQDMSCYTVHRDLP-NLRLBUSZSA-N 676.643 7.636 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1OC 587327307 OXBCWWAIQQITJR-CDZUIXILSA-N 564.053 6.703 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2)cc1 587538740 RLVOPXDCHCJLOZ-LITSAYRRSA-N 608.282 6.889 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587698073 YDVOUBRQSRPXGS-OHNLJOQUSA-N 669.459 6.499 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 587737980 IWPKBQIVSZNIHL-LFPIHBKWSA-N 613.696 6.441 50 1 KKGF ClCCCCCn1cc([C@@]2(c3cccc4ccccc34)c3ccsc3CCN2Cc2ccco2)c2ccccc21 962719444 XWZKYSSZEKUSIO-PGUFJCEWSA-N 565.182 9.208 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc(Cl)c(Cl)c2Cl)N1C(=O)c1ccc(Cl)cc1 963010387 NJDVWBJVQCCWKA-FQRUVTKNSA-N 627.149 7.572 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2c(C(F)(F)F)ccc(Br)c2F)N1C(=O)c1ccc(Cl)cc1 963020766 QRPGPPOGCIBTJV-IBVKSMDESA-N 688.697 7.532 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@]2([C@H]3CC[C@H](C3)[C@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039326 MZQDGEBFJRZMPT-KQMYLNTDSA-N 550.001 6.458 50 1 KKGF CC(C)C[C@]1([C@H](Br)[C@H](Br)c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963106359 LAYKSJLUKGJXPG-NJYVYQBISA-N 520.136 7.280 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 963175998 HHVDNBGLDBOPJZ-HDMKZQKVSA-N 518.212 5.079 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@]2(CBr)c2ccc(Cl)s2)c1 963553217 SCGCCPMMMIMBPD-RUZDIDTESA-N 608.867 6.711 50 1 KKGF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(C(F)(F)F)c(Br)c2)N1 963733906 ZDPDFONAZGHLFG-JCYRPKCISA-N 656.293 5.138 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(F)c(OC(F)(F)F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948952 ZZHNXEPMRGSPIB-CWCGCRTPSA-N 760.670 6.500 50 1 KKGF CCOC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C 2356383974 HFSJNSPDLDRBFD-BVBLBHOISA-N 599.603 5.442 50 1 KKGF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]5O[Si](C)(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356416197 LCMFMYLKULZBHF-RDSOWFLBSA-N 865.591 13.286 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)O[C@H]3CC[C@@](C)(OC3(C)C)[C@H](Br)CC[C@@]2(C)[C@H](Br)CC1 2356472663 FBHKLQNKQDGXQC-DDBDAMECSA-N 584.389 7.245 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2[C@@H](CCCO)SS[C@H]5O)C1=O 2356482680 RLIWUVLXIGHWPH-VWGUXKFCSA-N 898.238 6.458 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O)CC(=O)CC2 2356692891 OJAWUJDHXHVGPL-CQJGBVBZSA-N 540.703 5.776 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 2356869110 XIASLSSGVLJQBR-BIGVGFGJSA-N 869.122 6.383 50 1 KKGF CCCCCN(C(=O)CCCCBr)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 13740918 HMRMTWUTVVIJSI-QTRBIBNASA-N 537.627 6.802 50 1 KKGF N#Cc1cc(C(=O)N/N=C/c2ccc(OCC(=O)N3CC=C(c4ccc(Br)cc4)CC3)c3ccccc23)ccc1O 27638813 PULPKDXNPLLVDT-XZYGTATASA-N 609.480 5.638 50 1 KKGF CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC(C)(C)OO2 42851923 VYHYIJYYLVDRQQ-BBDHWLHHSA-N 593.758 5.233 50 1 KKGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1sc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(OCc2ccccc2)c1OCc1ccccc1 49694540 RRGHIWSDMKJMKU-CQFWSYKGSA-N 678.683 6.250 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(Cc3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 95549289 AXDTVHDQUUWLJT-DQXGHSQJSA-N 810.550 9.484 50 1 KKGF CCN(CC)c1ccc2c(C)c(-c3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@@H](c4ccccc4)C5)cc3)c(=O)oc2c1 95559448 BHEQTSFNBDIQNL-INJOXJOKSA-N 571.677 6.823 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(c3ccccc3)(C(F)(F)F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101305577 AVZUEUNLKJMZMA-BLWYLUKMSA-N 510.471 6.231 50 1 KKGF C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)CO[C@H]2C#CC/C(=C\CC1)CCSSC2 103525683 WQXRNKLSXOZKHF-BSBNFEASSA-N 612.898 6.515 50 1 KKGF biogenic,in-vitro C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@H]4COC5(CCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCC2)OO1 150554108 ZUEJLIYJOADQBI-JHQJHYSWSA-N 858.981 11.955 50 1 KKGF COC(=O)CNC(=O)[C@@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)C(F)(F)F 169299381 SIDKXMSCFDNCOQ-ZUDCDUMTSA-N 844.962 6.097 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](C[C@@]3(Cc4ccc(F)cc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169372846 XKKWJFZWAWKYNA-GVZRLMMFSA-N 656.744 5.906 50 1 KKGF COc1ccc(-c2nnc(-c3ccc4nc([C@H](Cc5c[nH]c6ccccc56)NC(=O)CCl)[nH]c4c3)o2)cc1 587009817 UTNZUOAWIVANGZ-DEOSSOPVSA-N 526.984 5.409 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(OCc4ccccc4)c(Br)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189286 AXXGBKXNEJIXEX-DMSPMPEUSA-N 746.787 8.936 50 1 KKGF CC(C)(C)OC(=O)N[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 587225389 KKIYVHVFNNYRHW-AWEZNQCLSA-N 520.362 7.739 50 1 KKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)c(Cl)cc21 587458495 JVBMWCHCQDVTPN-POXGOYDTSA-N 524.400 6.017 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc([N+](=O)[O-])cc1Br 587538603 PXUUJLBONNQKCU-RXVVDRJESA-N 535.144 5.315 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(F)cc1 587569692 IVSZWYMFAKPXNA-UHSQPCAPSA-N 505.973 6.288 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)N1 587719821 RHNZJLZUQMQRQI-NOGLQXFXSA-N 669.047 6.652 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587829229 BFKWUEXZEBOQOQ-VPUDMBLMSA-N 981.047 7.548 50 1 KKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587843194 HNNOGTJGUALAJU-SHACYNPGSA-N 507.900 6.734 50 1 KKGF COc1ccc(/C=N/NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)cc3)c2C)cc1O 653740746 VSUMKXROXJMXEE-VFLNYLIXSA-N 529.811 6.286 50 1 KKGF C[C@]1([C@H](Br)[C@@H](Br)c2ccc(Cl)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014185 RRFOXSSSPHZEQM-UKWMHNODSA-N 665.209 7.741 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](c2ccccc2)(C(Cl)Cl)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963086585 AQXRQFYXPCEUAP-LBHUVFDKSA-N 578.539 8.037 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCCCCl)(c2ccc(I)cc2)N1 963175930 MTUQLUVFVHDFQK-UZLBHIALSA-N 572.192 6.215 50 1 KKGF COc1ccc(Cl)c2c1CCN[C@]2(CCCCCCCl)c1ccccc1I 963256825 FYIAKRCKLSHRAJ-JOCHJYFZSA-N 518.266 6.532 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(c3ccccc3CC[C@H]1Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775029 HRRMTVLNRKUXNP-RNAHPLFWSA-N 559.460 5.406 50 1 KKGF Cc1ccc(OC[C@H]2CN(C(=S)SSC(=S)N3CCCO[C@@H](COc4ccc(C)cc4)C3)CCCO2)cc1 1772656681 PSMXFZDSXZLTJD-CLJLJLNGSA-N 592.874 5.894 50 1 KKGF C[C@@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857593800 RWFBFSUANNAWRX-MRXNPFEDSA-N 523.414 7.770 50 1 KKGF C=CC[C@@H]1C[C@@H](Cc2cn([C@@H](Cc3ccccc3)c3nc(C(=O)OC)co3)nn2)C[C@H](O[Si](C)(C)C(C)(C)C)C1 1857606124 FTKGTPCVWLEKTB-YPTUDWLLSA-N 564.803 6.810 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)c5cc[nH]c(=N)c5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@@H](OCCO)CCCC1 2356293273 LNXFZUKMRYQOAB-PTDAHCISSA-N 792.077 6.174 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc2cc(ccn2)[C@@H]1CN1C(=O)C=CC1=O 2356305176 QIOXPPHUPDEYER-YXMUDESVSA-N 758.963 5.888 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356365546 NTUFHXNPEPSSFI-RSMSTHJVSA-N 787.139 7.120 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC3(CCCC3)C1)CC[C@H](O)CC(=O)CC2 2356366120 ALRMSWXQPBEGOC-NLRCCXHASA-N 885.206 6.788 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356366766 PZSYRLFABHLUHX-GBTHVVICSA-N 799.106 5.680 50 1 KKGF CNC[C@@H]1SSC[C@H]([C@@H]2C[C@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@H]1C2 2356483817 YZJNNQHPNBUBGJ-ILKCSDEVSA-N 724.942 6.751 50 1 KKGF CCCc1cc(OC)cc(O)c1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)C=C[C@@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356726023 VHFKNSGHCDZIJC-SEJQDXFDSA-N 620.871 9.005 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356735801 RPTPSEDYZQNUJK-CHKJBPGOSA-N 597.887 6.605 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356769135 ZSTBKPQJMYKIGL-RZGVCHNVSA-N 781.054 5.082 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)C[C@@H]2O[C@]2(C)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 2356794551 LGGTUGXQWLUADZ-JKQDECNVSA-N 603.635 5.200 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCCCCCCNC(=O)CCCC[C@H]1CCSS1)O2 27424575 XAYLHSGZUGVTJB-DWACAAAGSA-N 536.804 5.908 50 1 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126746 HCCIGUCWPWQUJP-UHFFFAOYSA-N 579.701 5.116 50 1 KKGF CCC[C@H](C(=O)NNC(=O)[C@@H](CC(N)=O)CC(C)C)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O 49776344 RNCGQYAWKOAAQJ-PHTQWASBSA-N 677.887 5.240 50 1 KKGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2ccc(-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1 49807504 SUGXAUZWFSFNCE-LAGRCSGPSA-N 683.841 7.787 50 1 KKGF COc1ccc(/C=N/NC(=O)COc2ccc(N3CC4=C(CC(C)(C)CC4=O)N(c4ccc(Cl)cc4)C3)cc2)cc1 64559850 GRNUHNFKTZXJEJ-FABQOPTDSA-N 573.093 5.805 50 1 KKGF CCOC(=O)C1=C(c2ccccc2)N(c2ccc(OC)cc2)C(=N)[C@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N 71317652 BMDRQCWSJASDGQ-SANMLTNESA-N 524.360 5.061 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)C 85544441 NWZYHZAJIPSIEC-PZUJMVQLSA-N 579.822 5.116 50 1 KKGF biogenic,in-vitro CCN(CC)c1ccc2c([C@H]3C(C#N)=C(N)OC4=C3C(=O)C[C@H](c3cccc5ccccc35)C4)cc(=O)oc2c1 95558991 NAAHDXASTHKBTH-GEFUHLBYSA-N 531.612 6.001 50 1 KKGF C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 95610358 UFJUEKAJZPTZED-ZSQYIXONSA-N 780.863 5.176 50 1 KKGF Cl[C@@H](Cn1ncc2c(NCc3ccccc3Br)ncnc21)c1ccc(Br)cc1 96907506 XXIQRUYLVHHCTG-SFHVURJKSA-N 521.644 5.944 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4C=[N+](C=C14)[C@@H](O3)[C@H](C#C[C@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O 150348968 LHLAEPXELDOLMC-ICCHSOPCSA-O 930.226 7.411 50 1 KKGF biogenic,in-vitro Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@@]3(c3ccc(S(F)(F)(F)(F)F)cc3)C2)n1C 169299935 HPGPGSLIDVUPKR-KKSFZXQISA-N 521.581 6.192 50 1 KKGF C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C 195351742 VBHUWAKWJKICLR-PQJJUQPMSA-N 654.946 6.662 50 1 KKGF CNC(=O)NC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4cccc(I)c4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195449463 ABQNBBSFGLRSTL-VBHAUSMQSA-N 796.860 6.682 50 1 KKGF CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)Oc2cccc3ccccc23)N2C[C@H](Cl)CC(C)(C)C2)C1 299861287 IDMCXXPJSPYTRZ-MZKUHISZSA-N 533.584 6.963 50 1 KKGF CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCCCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 299871559 YQKJRFICRRJOFW-ZNZIZOMTSA-N 525.605 6.380 50 1 KKGF C[C@H](c1ccc(CBr)cc1)c1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 586974753 ZAHKEZQJPXWLTK-OAHLLOKOSA-N 557.431 5.533 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190646 MEXZVMJITRUYPN-HTISMCIFSA-N 563.743 5.385 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(F)c(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190704 NFZNFVWXCLTKOR-ZHRULWDUSA-N 658.653 7.496 50 1 KKGF O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319111 AFCBKCDYMRTWCT-PXJZQJOASA-N 625.834 6.729 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327072 OJEUNCGDVHRAKN-MGIZWTDASA-N 730.233 6.053 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)[C@@H]1c1ccc(F)cc1 587371807 DKDLTKNHGCULOW-BVAGGSTKSA-N 588.292 7.672 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587465259 GBBIGPJBXRDXQK-NCKVOZTESA-N 655.203 7.195 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cc(Cl)c(F)cc12 587628702 SYFSXXVZBJTBDJ-GUPFQVSGSA-N 580.911 6.960 50 1 KKGF CCOC(=O)/C(=C(\C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689602 UWHNCMWYVZZLFS-GKYPYPSZSA-N 539.873 5.904 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 587720332 SJTFRZUFLBEZCM-RKNYENMMSA-N 527.812 6.614 50 1 KKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587843190 HNNOGTJGUALAJU-BSEYFRJRSA-N 507.900 6.734 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)N(C)[C@@H](C)C2 962631412 RIHDLOWJGGXJMX-YVGXBJCXSA-N 514.463 7.116 50 1 KKGF CC(C)c1ccc([C@]2([C@H](C)Br)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1 963061727 FRTLWBTWOGBNIW-NWWHOGKHSA-N 585.539 6.316 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cc3ccccc3s1)N(C(=O)c1ccccc1N)CC2 963160094 WDNNMJLDHPBQPX-HHHXNRCGSA-N 537.479 5.838 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cnc(Br)cn2)N1 963178941 XUAAXONSWDPCSP-UVMMSNCQSA-N 699.447 6.158 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C(=O)Cl)(c2c(C)[nH]c3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367164 NBGKFLKQGQDSIJ-SVXHESJVSA-N 621.089 6.540 50 1 KKGF COc1cc2c(cc1OC)[C@@H](c1ccc(O[Si](C)(C)C(C)(C)C)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795465 GKEMZYSVESQLSB-SSEXGKCCSA-N 570.762 6.926 50 1 KKGF CC[C@@H](C)c1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc2c1OC(N)=C(C#N)[C@H]2c1c(C)[nH]c2ccccc12 1857631271 JIXBZPNCHZYBGU-DKVZKDRJSA-N 577.681 7.130 50 1 KKGF CC1=C[C@@H]2C(=O)c3cccc4c3C(=O)[C@@]2(CSS[C@H]2Nc3nccc5c3-c3c2cccc3[C@@H]2CCC[C@]52C[C@@]2(O)[C@H](O)[C@H](CO)O[C@@H](O4)[C@@H]2O)C(O)=C1 2356300647 OEDNCWDGHRFWBI-YCJYMERWSA-N 754.883 5.109 50 1 KKGF CC[C@H](O)[C@@H]1SSC[C@H]2CC3=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@@]4(CC3=O)[C@@]5(C)CCSSC[C@@]3(C2)NC(=N)NC[C@@H]3Cc2cc1ccc2CO 2356514731 LSMASZNWKPBFRM-NVHBMDDTSA-N 776.169 6.275 50 1 KKGF CN[C@@H]1C=Cc2c(c(O)cc3c2[C@H]2Oc4c(ccc5c4[C@@H](CSSC3)Cc3cc(O)cc(OC)c3-5)[C@H]2COC(C)=O)OC1 2356546885 UPKPENHXZJOMRU-IHWWWKHISA-N 619.761 6.082 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@@H]1C)N43 2356598550 UCOQMHRCPBANSQ-OUQAMWMTSA-N 533.756 5.399 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)CC[C@]6(O)C[C@@](CO)(NC(=N)N)CSSC4)O[C@@H]21 2356637767 DQARFAIBZBVDAZ-PIPXBZFHSA-N 738.929 5.308 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356741260 YIGFHTWWEFEFBG-GISVTOLESA-N 847.237 9.652 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]2O)c1O 2356779016 JHANTRWCLZMOHY-WGKUXYTMSA-N 740.937 7.124 50 1 KKGF CO[C@H]1C[C@@H](C[C@@H]2O[C@H]([C@H](C)C(=O)OO)[C@@H](C)[C@H](O[C@H]3CC[C@@H](OC)[C@@H](C)O3)[C@@H]2C)O[C@]2(O[C@](C)([C@@H]3CC[C@H]([C@@H]4CC[C@H]([C@@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)O4)O3)[C@H](OC)[C@@H]2C)[C@H]1C 2356780449 WWIQNJAWIWZDGY-VSSQGZNCSA-N 885.142 6.435 50 1 KKGF CC1(C)[C@@H](Cl)C[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)c(Br)c(Br)c14 2356800401 QAJAEFHWLZNVNF-BRQCXZKOSA-N 619.539 5.231 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(C[C@H](CO)CCCO)CC7)[C@H](O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356809737 ASNVWRXYIPEKKH-SIJVGTBHSA-N 968.292 8.014 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@@H](C)[C@@H]1CCC(=O)O 2356811103 BEEZEVJKKMWNLU-XERREHJYSA-N 592.696 5.514 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356836861 LELMGULNVJKKNX-CFTGJMFHSA-N 931.323 8.746 50 1 KKGF O=C(NCc1ccccc1)[C@H](O)Cc1c(SSc2[nH]c3ccccc3c2C[C@@H](O)C(=O)NCc2ccccc2)[nH]c2ccccc12 27706108 ZZEJZBLCZXHUBG-ROJLCIKYSA-N 650.826 5.888 50 1 KKGF CO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@@H]1c1cc(N/C(=N/[C@H](C)C(C)(C)C)NC#N)ccc1OC(F)F 38972186 XQBIVCAQJUZOIE-NFGHKGSMSA-N 500.550 5.333 50 1 KKGF CC1(C)CC2=NC(SSC3=C(C#N)[C@H](c4ccc(F)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@H](c3ccc(F)cc3)C2=C(O)C1 49734132 BPNOEXMBIDXKFT-KYJUHHDHSA-N 654.808 9.857 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 49938132 YTTUSWGEBSUIQM-DUZAIZTFSA-N 572.830 9.152 50 1 KKGF Cc1ccc(-c2nnc(CSC(SCc3nnc(-c4ccc(C)cc4)s3)=C(C#N)C#N)s2)cc1 71317442 RLYKKYUOQURQOV-UHFFFAOYSA-N 518.718 6.766 50 1 KKGF COc1cc(N[C@H](C)CCCNCc2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 84739856 KMUWMAAXVZWHMR-RESNGNHHSA-N 645.841 7.338 50 1 KKGF Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907848 UIWWCWBVQFLCKB-WJOKGBTCSA-N 587.630 7.426 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4N=C=S)C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 136094072 JCQWJWBJYMMVMR-JWDVHEBFSA-N 561.707 5.829 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OCCBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299861114 KJZINTMVGDKPLC-GKMZBMDBSA-N 561.645 8.151 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054110 BXSKAOCGQKVEBP-AUWJEWJLSA-N 554.197 8.123 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054184 CVAUKBPSLQTKPJ-VGOFMYFVSA-N 531.197 7.012 50 1 KKGF Fc1cc(F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1Br 587135761 DDAHEGRYZAKLJD-UHFFFAOYSA-N 514.058 7.691 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 587327726 HEKCVVWFEJVFQF-XTEPFMGCSA-N 543.944 7.451 50 1 KKGF O=C(Cc1ccc(CBr)cc1)OC[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537127 AVFIJBCSCXUHCB-FIBWVYCGSA-N 559.412 5.930 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 587555931 MRXWXYXQESSSOC-JGDYJZKHSA-N 539.962 6.886 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587605441 CQAQHKCVRANGHF-ILFWFZRHSA-N 558.614 7.087 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 587671903 BKCWYKFAFMUKFX-CPJLOUKISA-N 562.277 6.510 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587959638 MTUDKVCUWAQCRK-KTKRTIGZSA-N 536.739 11.971 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc(CCCO)c5cccc(c65)[C@@H](SSCCC[C@@H]3O)[C@@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356291681 AUIPNDIKACUGRY-SXGWHRSNSA-N 966.278 10.453 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356360093 YJEARMAMFQRPOJ-PCJZJSDKSA-N 700.968 5.785 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@H]2NC(=N)NCCc1cccc2cocc12 2356366339 GCJUCKPRWHEEKS-YYSIXFKLSA-N 847.249 8.348 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]5O 2356388897 XBOSHEAQHSUFSF-WIFVOFOKSA-N 870.184 5.535 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356431423 QJJIATHLYNFESK-DQWAHZKDSA-N 825.188 7.532 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC2=C3CSS[C@H]4C[C@@H](C#CC2)[C@H](NC)[C@@H]2CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]3[C@]13Cc1cc5ccc(=O)oc5cc1O3)[C@H]42 2356477813 IRHOMWWFQCEXGY-XYBWYUDHSA-N 750.943 5.175 50 1 KKGF CC=CC=CC[C@@H](C[C@H](CCCCCCc1cc(O)cc(O)c1)SS[C@@H](CCCCCCc1cc(O)cc(O)c1)C[C@@H](CC=CC=CC)OS(=O)(=O)O)OS(=O)(=O)O 2356637744 CXWSWAOHTLBFGD-SOFKUOBMSA-N 887.214 10.515 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356696880 XWZFZHPAQIJHEA-VIVPBUEQSA-N 877.135 7.280 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4C=CN=C4C3)[nH]c(=N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@@H]1OC2=O 2356853952 RLAZISXZIXSAQW-ADZYDYNESA-N 823.998 5.197 50 1 KKGF CCCOc1c(C(=O)N/N=C\c2c[nH]c3ccccc23)sc(C(=O)N/N=C/c2c[nH]c3ccccc23)c1OCCC 49678600 ODXKKWVNIONGDF-ZAYSQSOWSA-N 570.675 5.816 50 1 KKGF COc1cccc(-c2cc(NC(=O)NNc3ccc(N(CCCl)CCCl)cc3)c3cc(OC)ccc3n2)c1 49756079 FWICKECRRWFLKI-UHFFFAOYSA-N 554.478 6.352 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Cl 84707734 NGXMBGUTPFVRJM-HSZRJFAPSA-N 538.866 6.958 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2Cl)c1 103195483 DDJSGYAGMYMQTJ-DHIUTWEWSA-N 587.257 6.299 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@H]2O)[C@@H]3O)CC[C@@H]4CCO)c2c(c1O)Cc1cccc(c1)[C@@H]1NCCC[C@@H]1SSC2 150343689 BXOAWRDYMXKUKK-GWUNEDLHSA-N 1018.350 11.473 50 1 KKGF biogenic,in-vitro COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CSSCC(=O)N[C@H]1CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc31)CC2 150617825 KOCAAOLMKJMFND-KYJUHHDHSA-N 893.140 7.525 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(CCNc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)CCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312901 NINKCJQUFDSGHR-SJSAYWBOSA-N 942.168 8.522 50 1 KKGF CC(C)(/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)N1CCCC1 207773095 JPACCQDPUDOSKA-OILDRBDJSA-N 594.695 5.322 50 1 KKGF C[C@H](CCC[C@@H]1O[C@H]([C@@]2(C)CC[C@H](Br)C(C)(C)O2)CC[C@@]1(C)O)CC[C@@H](O)[C@]1(C)CC[C@@H](C(C)(C)O)O1 238739786 QWXKUMIUBUIBJK-BSNNYGHRSA-N 591.668 6.052 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCCCCCN=C=S)CC[C@]4(C)[C@@H]3CC[C@]12C 253704866 QGWGVBRWMAFYLJ-ZFUWYTHLSA-N 527.903 10.076 50 1 KKGF CNS(=O)(=O)c1ccc(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586945817 BUFLSQVTZIXXLC-UHFFFAOYSA-N 520.343 5.676 50 1 KKGF Cc1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029120 HXOBDHBKLIRHEX-UHFFFAOYSA-N 527.338 7.133 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587323919 USIOCSRYRYBQFE-HSJHCEBHSA-N 505.767 6.231 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(F)F)cc2)([C@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 587716468 JDGWBWVCFVQTEY-BBUKAURMSA-N 604.797 7.059 50 1 KKGF COc1cc(-c2nn(C[C@@H]3CCCN(C(=O)/C(C#N)=C/C4CC4)C3)c3ncnc(N)c23)ccc1Oc1ccc(Cl)c(Cl)c1 1772648018 XNJFGIFLVYCEGT-GWJWUGQSSA-N 618.525 6.282 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCOCCOCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC[C@H]1C 1857538716 NVPJTMOGIUHJCM-TWNRNNKUSA-N 834.155 10.575 50 1 KKGF Fc1ccc2[nH]c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)[nH]c2c1 1857565635 YYPWXSQAVNLQAS-UHFFFAOYSA-N 582.464 9.415 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356300526 MWBMZWPJRURSPW-LCECLXNNSA-N 907.212 9.009 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356351208 SDHWUTZNWJGSLY-OXUVPPKCSA-N 799.106 5.824 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN[C@@H](CC)C1)C3 2356366114 AIZXGGJRMDDHHI-FRQZKIDVSA-N 698.813 5.200 50 1 KKGF CNC[C@@H]1SSC[C@H]([C@@H]2C[C@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@@]1(NC(=N)NC)C2 2356372079 XTAIHWXIGKTBQY-CVUKENEUSA-N 796.025 5.618 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356450821 KDMQORFDIMCBAO-VNLLYIBVSA-N 842.130 6.305 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@H](CSSCc1cc(O)c(OCCNC5CCCC5)cc1[C@@H](O4)[C@@H]3COC(C)=O)C2 2356613853 ZUWPMNCRVDLOTJ-CCNQEERUSA-N 649.831 7.000 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O 2356616549 XPBHSSKKEQQMDX-QHQYYTRFSA-N 710.911 7.591 50 1 KKGF COc1cc(O)c(C=C[C@H](C[C@@H](CCc2ccc(O)cc2)OO)c2ccc(O)cc2)c(O)c1C(=O)C=Cc1ccc(O)cc1 2356693310 FQCSWJOXGNZGMF-VAVYLYDRSA-N 598.648 6.797 50 1 KKGF C[C@H](O)NC(=N)NC[C@H]1[C@@H]2CCC[C@H]3[C@@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@@H](n4ccnc4)CSSC[C@H]4C[C@@H]3[C@@]2(CO)[C@]4(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356710445 DRJLYXLYPGPZMT-UFPPMXIMSA-N 924.328 6.525 50 1 KKGF COOC[C@](C)(O)[C@H](O)CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356714022 YYNMLQJLJBQYOP-XQKNLLDYSA-N 524.783 6.494 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CC=C[C@H]2CN(CCCOC)CC[C@H]21)C3 2356729127 IIBKQYYSPWRWKF-YXAUMHAESA-N 810.941 5.089 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@@H](O)[C@H]64)[C@]12O 2356774789 DNUIGXQNUPKYEE-JNSCEDASSA-N 930.379 8.776 50 1 KKGF CN[C@@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cc(O)cc(C2(NC)CCCC2)c1 2356780181 ODKHFZHQIQVDQW-DKFWVONXSA-N 730.993 8.881 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@H](CCO)CCCC[C@H]3OCCO)C=C12 2356837245 LIKVIGVIUQIDBZ-OBQYDDEYSA-N 864.184 5.324 50 1 KKGF CCN(CC)C(=O)SC[C@H](CN1CCCCC1)SS[C@H](CSC(=O)N(CC)CC)CN1CCCCC1 28872985 QRUAKIDPCNHCSQ-ZEQRLZLVSA-N 578.980 6.467 50 1 KKGF C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@]12C 43323438 PZXHPUCNJAGWRH-WUQSLLRMSA-N 540.585 6.963 50 1 KKGF CCO[P@@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=N/Nc3nncc4ccccc34)cc(OC)c2O)c1 49881492 YQWZXHMDNWUXJK-YERFVOJTSA-N 552.499 6.341 50 1 KKGF CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCCCl 95538494 UFVJIYDNNVJPRL-YKXUKSTASA-N 808.457 7.549 50 1 KKGF C[C@@H](CCC(=O)NCCS(=O)(=O)O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OCCNC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C 95607597 NXUMPCNHCFUSHW-FIKGUTNLSA-N 828.985 6.845 50 1 KKGF CC[S@@](=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@@H](OCCCl)C(Cl)(Cl)Cl 103219042 SWIRPNBNJSQCLP-YHOYWCJOSA-N 607.096 6.561 50 1 KKGF N#C/C(=C/c1c[nH]c2ccccc12)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C\c2c[nH]c3ccccc23)c1 103265839 NDAXAVBJHVOSPP-GACBQCINSA-N 524.584 5.096 50 1 KKGF CC1(C)[C@H](Br)CC[C@@](C)(O)[C@@H]1CC[C@]1(C)O[C@](C)([C@H](O)CCl)CC[C@H]1Br 140263864 LSOZDDIWYCQPCC-FQJWRULHSA-N 518.758 5.408 50 1 KKGF CCCCCCC[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O 145213342 CNIPAIGHIJWOMR-DXBBTUNJSA-N 606.071 7.078 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 253952389 ZMYCLKSPUUAQFN-LOVQQUMVSA-N 945.072 7.011 50 1 KKGF O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 299868300 ZSFBXVVFBWPRCU-DHUJRADRSA-N 677.761 5.285 50 1 KKGF O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586943903 IYQXYHUGJXFWCQ-UHFFFAOYSA-N 637.878 6.594 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCCCBr)[nH]c21 586972672 ZEDOKGOWOQLWAF-UHFFFAOYSA-N 617.588 7.541 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053857 APWOUQVAJQOYMA-AUWJEWJLSA-N 543.298 8.379 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)[C@@H]1c1ccc(F)cc1 587328110 ITJCBMVYVXKURL-GCJKJVERSA-N 531.246 6.478 50 1 KKGF O=C(CCl)NCc1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587330027 ZVJIEAZCOMEEJF-PQHLKRTFSA-N 531.967 5.395 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(F)F)cc2)([C@@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 587717254 KXUYBLRVAXSISS-XFZANQJVSA-N 604.797 7.059 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 587720324 SJTFRZUFLBEZCM-OZAJXLCCSA-N 527.812 6.614 50 1 KKGF Cc1c(N/C=C(\C#N)[C@]2(C(C)(C)C)c3ccsc3CCN2Cc2cccnc2)c(=O)n(-c2ccccc2)n1C 963013042 QEFHUJGMOHFOHG-MMZTVLMMSA-N 538.721 5.760 50 1 KKGF C[C@@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963580692 LJHCGWSPGNQEDR-VBSUNHKASA-N 683.086 6.760 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3ccc(O)cc3)nc(Cl)nc21 963927722 CUEVUUBXNJHCJE-DEOSSOPVSA-N 528.838 5.173 50 1 KKGF C[C@@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857583958 QCOLGJGBPVVHEX-MRXNPFEDSA-N 523.414 7.770 50 1 KKGF C[C@](O)(CS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857597056 NISXTRKJPVXKCS-INIZCTEOSA-N 558.425 5.434 50 1 KKGF C[C@@H]1[C@H](O)CC(=CCC=O)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356349965 RLUPWBUOWXFZJH-AFGQJSCKSA-N 686.981 5.569 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H]3Cc4c5cc(c(c4O[C@H]3O)OCN[C@]3(CC#C[C@@H]2NC(=N)N1)CCCC1(CCCC1)C3)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC5 2356380253 XVXHWAIPLDXFTI-GNGUJUAASA-N 901.205 6.108 50 1 KKGF CC[C@@H](C(C)C)[C@@H](Br)[C@H](Br)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356494870 VIGXEFRKXGTJRB-WJFNJAJZSA-N 774.355 10.313 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356608371 MUAYZLTUEIKUJN-GRXSQCEPSA-N 982.312 5.205 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356682930 BBYHPXZSKHVDTB-AEONQFINSA-N 877.220 7.291 50 1 KKGF CN[C@H](Cc1ccc(O)cc1)O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356767401 AEOMGZSKJYCRDS-SJHOIFEDSA-N 647.859 7.763 50 1 KKGF CN=C1NCC[C@@H]2SS[C@@H]3CC[C@H]4[C@H](O[C@@H](c5cc(O)c(O)c(OCCc6cccnc6)c5)C[C@H]4OC(C)=O)[C@@H]3Cc3ccc(O)c(c3)O[C@H]3CCC[C@@]2(C3)N1 2356775222 JRZGYMBGUXJSFT-NQYRNJRESA-N 805.032 6.612 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356776109 DQOPTFBDOREGQH-CONPLMKSSA-N 838.238 7.193 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1CC=C[C@H](C4=O)[C@@]512)NC(=N)NC[C@H]3Cc1ccccc1 2356777988 JQOMZMIUZQBJNR-ZXNMIKNJSA-N 577.860 5.763 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356808810 AKIWOIGNNPHLBZ-STWKVIMKSA-N 810.095 8.309 50 1 KKGF COc1cccc(/N=N/C(=N/NC(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2OC)c1 5596233 ARUAPOGJJSATMT-HEXIMOTKSA-N 523.597 5.521 50 1 KKGF O=C(N/N=C/c1ccc(OCC(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 27648154 VPBIUZFMQNNLBC-FABQOPTDSA-N 636.930 5.614 50 1 KKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCBr)C(CSc2ccccc2)=N1 43799791 ICMAQBCUZVMKER-FBNDGMMSSA-N 537.401 7.015 50 1 KKGF C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 44305145 RPBUJHDUJTXPIX-CONSDPRKSA-N 580.674 5.766 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCO[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49844755 VPDQWAVYXGGNCM-SWTDCUNCSA-N 622.796 6.216 50 1 KKGF O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCCCCCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 64573128 JODXYFALTVGLTE-SSEXGKCCSA-N 636.705 6.346 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 85627259 AUMHMUDTFLABBE-WABHNEJRSA-N 825.155 7.178 50 1 KKGF biogenic,in-vitro COc1cc2c(c3oc4ccc(CBr)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@]13CC[C@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 95549502 KNQROZXVENVIGO-LDPYBTFSSA-N 795.676 6.761 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 169358777 LOXUGGFFDIDMLB-HWOWZNBZSA-N 508.699 7.000 50 1 KKGF O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCc1ccccc1 587226284 WHWVETVQRJMOGY-LOYHVIPDSA-N 701.718 7.102 50 1 KKGF CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453865 SJPAVBIXTZTDEQ-CDSKMIAASA-N 552.092 6.149 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 587539713 XRPKECBVTJTIMU-ZJSXRUAMSA-N 547.188 6.606 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H](Br)CC(=O)O)N1 587669233 BRXQYXBTKKXCLC-XVWMFJGMSA-N 505.609 5.258 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587670038 HRDQHWCLDWYENZ-BXUPLMHSSA-N 577.288 6.030 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 587683362 GPHPDMZEQLXMIT-YOQPTCTGSA-N 511.863 5.693 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587844227 KZCDEWSCXYSJDB-LFPIHBKWSA-N 507.900 6.734 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)c(CBr)cc1Br 587874779 GMCJCZIDAYLRMY-UHFFFAOYSA-N 582.945 6.318 50 1 KKGF CC(C)CCCCCCCCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587957502 MHTLEGLQAIFHNP-UHFFFAOYSA-N 603.624 12.423 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C)c1ccc(N2CCN(C(=O)CCl)CC2)cc1 962992015 XCZJFNBYOBUHPP-XIFFEERXSA-N 624.565 5.166 50 1 KKGF N#CCCn1cc([C@@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 963034518 FNZFMHQGDIPHPW-ZLHGTEGGSA-N 652.097 7.576 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(NCCc4cc5cccc(OC)c5nc43)c3ccccc3C1=N2 963052764 HBANJYQCSAPOGV-MGBGTMOVSA-N 527.628 5.783 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1OC 963071553 LQILSBOPVBICOY-ZXJHFVJZSA-N 709.192 5.934 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 963192218 ZYGJXYSNNFTVPX-CXAGYDPISA-N 517.556 5.903 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937149 CQZXAIYNUVETNK-JSDGUFGGSA-N 920.584 8.239 50 1 KKGF COc1ccc(/C=C(\C#N)C(=O)NCCNC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@@H]43)C2)cc1O 1772625518 VAXKZQGGRANPLI-VUUDKOCYSA-N 603.760 5.687 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1C(C#N)=C(N)N(Nc2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 1911571668 MWHVEWJETYIZCA-SSEXGKCCSA-N 703.563 8.518 50 1 KKGF COC(=O)[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 2356638873 UXDZXRKJSZVQHR-DEKXNUIYSA-N 516.719 6.135 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356692372 TVVAKLWNPKMXLB-XSPFIUIJSA-N 945.254 8.810 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H](CCCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1ccccc1 2356737278 HYSDATPFPIBJQV-QQAFPSIXSA-N 581.892 6.522 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C(=O)C[C@@H](CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@@H](O)C2)[C@@H]3CCC(C)C 2356753108 SYBSPWRSWKPGHF-ONNAMJAISA-N 761.108 7.679 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1cccc(CO)c1)[C@@H](CC=C[C@H](O)[C@H](O)C1CCC(O)CC1)C2 2356814497 CIIBUWGQRCLUAQ-LNNUYSJASA-N 768.095 6.166 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(CC5=CCNC(N)=C5)CC(=O)N(Cc5cc(c6c(c5O)O[C@@]57C=C[C@H]6C[C@@H]5CCC7)C[C@H]1CC[C@H]3C2)C4 2356815448 CRQCXZDLGWSZFN-QEYSHVOVSA-N 983.399 9.347 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@@H]([C@H]3CNC(=O)C34CCCC4)C1)O2 2356827797 IPOFOYZGPRFLCG-VTOZKGELSA-N 922.041 5.036 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](Cn2ccnc2)(CCN3)SSC1 2356865352 WBPSCDJASMDGFY-ROTAYESASA-N 592.787 6.037 50 1 KKGF Cc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1 42852189 RIBPVDKBHCEQFB-UHFFFAOYSA-N 573.524 8.643 50 1 KKGF O=C1c2ccccc2C(=O)c2c(NCCN[P@@]34=NP(Cl)(Cl)=N[P@@](Cl)(=N3)OCCOCCOCCOCCO4)cccc21 49937576 COBFEIQVHLRLQY-ACEXITHZSA-N 698.805 7.129 50 1 KKGF O=C(Oc1ccc2c(c1)[C@@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 73197092 XTQPUXDKYWHXSX-LBJXZKNRSA-N 618.771 5.458 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=C(C)[C@H]4C(=O)[C@@H](C(=O)OC)C(=C4N3)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(CC)=C1C=O 150342596 QYHYACFTEQCVHC-UBRTYJJMSA-N 885.203 11.504 50 1 KKGF in-vitro C/C(=C\C[C@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 253633300 IQZRDEYKPNMTKJ-WITNKWCHSA-N 501.151 8.588 50 1 KKGF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 473127324 VSQMKTXEMWBDIS-KNGFPDKHSA-N 621.822 8.286 50 1 KKGF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 587025550 HMCNATXBEAGDDX-BVGQSLNGSA-N 570.447 8.119 50 1 KKGF Fc1ccc(/C=C(/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2cccs2)cc1 587164722 VQKWFCQCLPDVGQ-RIYZIHGNSA-N 525.337 8.772 50 1 KKGF O=C1C[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)Oc2c1ccc1c2CCCC1 587504889 GVDINGWTQAHNDK-HXUWFJFHSA-N 508.161 7.147 50 1 KKGF O=C1C[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)Oc2c1ccc1c2CCCC1 587532561 OQMMTOYGSABRSU-OAQYLSRUSA-N 551.517 5.707 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 587539278 VDAXNDSYHDSBEM-QCENPCRXSA-N 535.393 7.542 50 1 KKGF COc1cccc(C(=O)[C@H](Br)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587671854 VCSXDVUZSCBZMK-BUNUKWNGSA-N 577.288 6.030 50 1 KKGF CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587682830 DSXFEDGVCCJDAF-GTVKODMGSA-N 681.039 6.679 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(Cl)c1 587719741 QNYGOZQOXYZOBB-MYODQAERSA-N 514.241 6.805 50 1 KKGF N#Cc1cc2c(nc1O)CC[C@H](Br)[C@@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962576485 UKJQDDSUZXUQAM-ZLWRCJDJSA-N 637.490 5.268 50 1 KKGF Fc1ccc(Br)c([C@@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962649250 ZSIPGTPOWRJBPZ-SQJMNOBHSA-N 530.279 5.974 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCCCCl)(c2ccc([N+](=O)[O-])cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963076428 HEBSTCBZKWOURR-QHIUNZLJSA-N 797.197 9.204 50 1 KKGF COc1ccc2c(c1OC)[C@]1([C@@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963776296 MRJFHVCMGRZJRD-WDNDJHOTSA-N 565.508 5.868 50 1 KKGF N#CC1=C(c2ccc(C(F)(F)F)cc2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772596038 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CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356868415 XBHGSGMMYJIZBR-ZYSBVEFBSA-N 817.087 5.797 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@@](C4)([C@]12O)[C@@]36C 2356876034 ZHFYTBJLENYPMG-WQAWFZLKSA-N 621.909 6.288 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(C#N)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(C#N)ccc21 14944330 MJGOASKYDRKUGY-UHFFFAOYSA-N 612.740 7.717 50 1 KKGF Cc1ccc2c(COc3ccc([C@@H]4[C@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)cc(=O)oc2c1 49709731 BXXNRHGQAUNVRE-LOSJGSFVSA-N 524.798 6.138 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 85942913 LCUTYJNSPXSBGY-SLXBCEBGSA-N 713.141 12.644 50 1 KKGF N#C/C(=C/c1ccc2[nH]ccc2c1)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C\c2ccc3[nH]ccc3c2)c1 103265842 FIWDHAIYSZEZAY-USYBVIFISA-N 524.584 5.096 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@H](SSCCC[C@H]2O)[C@@H]3O)C=C[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O 150343731 QIAVPOYGBUSCFA-PXLGOVPWSA-N 873.058 9.571 50 1 KKGF biogenic,in-vitro C[C@H](C/C=C/c1ccccc1CCCNCCc1ccc(O)cc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@H]1C1=C[CH+]N=C1 150343948 LZJPLPVZDDHAOY-CFSSZFHOSA-O 1048.230 6.056 50 1 KKGF biogenic,in-vitro COc1cc(C[C@@H]2[C@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@@H]5CNCCC#C[C@@]6(CCC[C@H](C)C6)[C@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 150346753 XAWNMPQKIHIXGV-SXKWIPPESA-N 860.145 5.849 50 1 KKGF biogenic,in-vitro CN(C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)N/N=C/c3ccc(Cl)cc3Cl)cc2F)ccn1 169345161 RXRDEPGMDFYQTQ-AMVVHIIESA-N 557.417 5.296 50 1 KKGF CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 253689840 REXRRVDGTFBNLC-OEAMBXMESA-N 632.791 6.494 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc12 586937867 VBKPCIVUZRADSG-SFHVURJKSA-N 563.574 5.335 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587033682 ZGFJAZVRBUFZLK-UHFFFAOYSA-N 510.351 7.991 50 1 KKGF Cc1cc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 587321102 IFBLAGKIIKKAEK-VWNXMTODSA-N 534.219 6.560 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587376138 OUEFHGGNNVVXTO-WTGSTYHVSA-N 592.217 8.027 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CC[C@H](C)C4)[C@@H](C2)C3=O 587452534 NVVIYNGURNHATN-PJCSWEQPSA-N 564.147 7.048 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537404 DXXWHFGXMPSFCT-LEDOBFOHSA-N 548.183 5.250 50 1 KKGF COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690125 ZHUTXEJQTXAITP-ZQNCRGTDSA-N 532.837 5.874 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 587716221 DMPIXMPDBSBGGY-IWEMQMMOSA-N 578.904 6.928 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2C(C)(C)[C@]12OC(C)=O 587810071 JVYBOZAXOJHPAG-HSCQYQPCSA-N 828.901 8.722 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2nn(-c3ccccc3)cc2CCl)cc1 587883371 IOULCWJEFPAPGL-UHFFFAOYSA-N 508.836 6.295 50 1 KKGF COc1ccc2c(c1OC)[C@@](CSC#N)(c1ccccc1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679116 PNYOJSVFVXVPEF-AREMUKBSSA-N 546.998 6.532 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@@]23c2cccc(F)c2CCN3[C@@H]2CCSC2)N1 962710417 PSLPTXOAZSILQC-XQDVYCKUSA-N 517.689 6.782 50 1 KKGF Cc1cc([C@@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1[C@H](C)c1ccccc1 963042383 SAHDJXGOTATPOL-VDANTMFHSA-N 681.179 8.735 50 1 KKGF Cc1cc(F)c([C@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Br 963833916 YZLNEUFKACNJHO-SANMLTNESA-N 558.289 6.741 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1[nH]c(=NC2CCN(Cc3ccc(F)cc3)CC2)nc2sccc12 1857540188 PWDWUETYEFDVIC-ONEGZZNKSA-N 513.642 6.275 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(C(F)(F)F)cc1 1857760410 GEEYNXFDKZBXCX-RKGNNUDTSA-N 709.806 8.575 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](/C=C/C3=CCOC3=O)[C@@]3(CC[C@@H]2[C@]1(C)CO[Si](C)(C)C(C)(C)C)CO3 1857762656 LJRHODJQAIXFMG-JAFMBEFYSA-N 504.740 5.581 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@H](O)C4CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356307970 HGHISAPJZDRBBV-DSUYZBMBSA-N 902.236 10.127 50 1 KKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)CC(=O)O[C@@H]1OC(=O)C(=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@H]1O 2356415400 KEUKAWSDTYOQMM-FVXULGDFSA-N 634.898 8.593 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]([C@@H]1C[C@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC21CCCCC1 2356469413 MCRMZNCCXDVDOM-PENOMZLFSA-N 821.075 7.732 50 1 KKGF CCCCCCCCCCCC=CCCCC(=O)OO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 2356484009 GMOLPOGBPMOLSJ-BFGJSWSOSA-N 653.089 13.519 50 1 KKGF CNCc1cc(O)cc([C@H](NCCCCO)O[C@H]2CC[C@@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356485933 YWPCUBHEXSXCRR-HFPSPQHWSA-N 750.980 6.726 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356671391 XTYNQBOCOYPOLQ-RPSJONSKSA-N 801.044 5.834 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)[C@H]2CC(CCO)=C[C@@H](C2)SS5)c1O 2356699676 DBTQBCTYKTVJRD-RWWGZZAMSA-N 863.104 7.996 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)CNCC 2356778606 YYJITTUVSRWVSB-GKMBSBAISA-N 676.983 6.151 50 1 KKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@@]1(C)[C@H](Cc2cc(C(=O)O)ccc2O)C(=CI)CC[C@H]1Br 2356836125 KXLIXIDTMVKERB-UKQDAHLNSA-N 613.374 8.070 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CCCC[C@@]4(C#C[C@@H]3C=C12)C[C@@H](c1ccccc1)CC[C@H]4CO 2356851433 QHMVKCWAAALCIW-ISQDVRHGSA-N 994.374 7.888 50 1 KKGF CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc2ccccc2c1 26835253 BQQPFEHFEMWIFM-RUZDIDTESA-N 608.583 5.542 50 1 KKGF COc1cccc([N+](=O)[O-])c1CNCCCCCCNCCSSCCNCCCCCCNCc1c(OC)cccc1[N+](=O)[O-] 29402940 SLLAQOXSXSRWDN-UHFFFAOYSA-N 680.938 6.081 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@@H](C/C=C(\C)CCC=C(C)C)OC(C)=O 49898910 RUGXEKJDFWNRGN-GBOKMDETSA-N 671.016 10.874 50 1 KKGF C=C(Cc1ccc(O)c(Br)c1)C(=O)NCCSSCCNC(=O)C(=C)Cc1ccc(O)c(Br)c1 84671543 LEXQRXBHJSANAY-UHFFFAOYSA-N 630.424 5.134 50 1 KKGF Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cccc(C)c2n1 103204208 REDZRKFEMSDPJL-RBCFWWJOSA-N 557.691 6.884 50 1 KKGF COc1cc(OC)c([C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169297528 OHKYDOUETPNUNA-HHSSBPSESA-N 670.840 7.550 50 1 KKGF CCc1ccc(N2CCN(CC(=O)N/N=C/c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N4)O6)CC2)cc1 299846563 FFQGLHRHPNTYDQ-OOPYEFRCSA-N 970.130 5.589 50 1 KKGF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587075763 LURAODIFVMKQFJ-UHFFFAOYSA-N 513.717 7.797 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191303 SPKLBRYTDVLPSI-UATTUGJOSA-N 645.763 7.493 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cccc(CBr)c2)[C@@H]1c1ccc(F)cc1 587322742 OERPHHPMNQZRDM-IXCJQBJRSA-N 503.367 6.729 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](C[C@@H](Br)C5=CC(=O)CC[C@@]54C)[C@@H]2C3)c1 587360107 LRHCVOGJYHWWQY-SBTUFBSDSA-N 596.565 8.576 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 587546744 XKVDJRCFBKOYAB-LITSAYRRSA-N 517.965 5.667 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(F)cc1 587569694 IVSZWYMFAKPXNA-WNJJXGMVSA-N 505.973 6.288 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 587723156 WEUJYZXBRLESNJ-CQLKUDPESA-N 500.008 6.207 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3CCCc3ccc(Cl)c(Cl)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587942902 FQWWWXZAJURDLZ-OZRUEMPQSA-N 552.495 6.720 50 1 KKGF Cc1cc([C@]2(CBr)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)s1 962575488 XAOADGHMQKYVKJ-MVSFAKPFSA-N 603.538 6.659 50 1 KKGF COc1cc([C@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)ccc1I 962635284 NAMFNFOJNRSOBC-ATIYNZHBSA-N 589.315 5.685 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962641028 MXTCNNYJVUZBKY-ZUKKLESISA-N 633.961 6.752 50 1 KKGF CC1=C([C@]2(CCl)c3cccc(F)c3CCN2[C@H]2CCSC2)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 962702194 HMASSUOUHPYQQY-PWBHFRCBSA-N 600.215 6.921 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CCCCCCl)c3ccccc3OC(F)(F)F)c(O)c2C(=O)O1 962970424 PJADIKOEADPAFS-REEDGMFTSA-N 680.503 7.240 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C(I)I)C(F)(F)F 962999240 UJCMOFMEZKGISA-NRFANRHFSA-N 707.652 5.969 50 1 KKGF CCC(=O)N1CCc2cc([C@]3(CCl)c4c(ccc(F)c4F)C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)ccc21 963033383 DRRIAVKEOLQVHO-PRDAIKMNSA-N 657.113 7.007 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2C2(CC(CBr)C2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963225646 ARKLXOMFQNHYIX-JUWJSRIDSA-N 638.427 5.469 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)Nc3ccc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857591056 CVNGZIOHROYNEZ-KACUPPMLSA-N 671.578 7.150 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2)C[C@@H](C)O 2356292763 XMNXDYZXSWQDHW-BXYATQMLSA-N 934.278 9.734 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc6cc(ccn6)[C@@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356305174 QIOXPPHUPDEYER-VJMQEEJKSA-N 758.963 5.888 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1cccc(CO)c1)[C@@H](CC=C[C@H](O)CC1CCCCC1)C2 2356313236 WVCCOTOSMLBBCR-IYNQRDRJSA-N 736.097 8.224 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@@H](C)[C@@H](O)c2cc(O)c1c(O)c2 2356378879 XZVMPRPAUUDNLD-ZSZRRZMASA-N 619.283 9.449 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C 2356387943 MADNRNGLRBRRDV-FXSGFLQRSA-N 556.828 6.919 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C=O)=C3CC[C@](C)(O)[C@@]2([C@H]3CCCO)[C@H]1O)CCC=C(C)C 2356435565 GJNUMDKBDYSSDZ-QVYQOWINSA-N 576.865 5.961 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@@H]1C[C@H](Br)C(C)(C)O[C@]1(C[C@H]1C(C)(C)[C@@H](Br)CC[C@]1(C)O)C2=O 2356559334 GQSXTXLHELBDSQ-YGYKREAXSA-N 602.360 5.443 50 1 KKGF COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C 2356585110 DFOYVSCLGRVGJK-LHEWISCISA-N 596.896 10.547 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356610868 ANKFESSWVMTSCB-MHJQMSQZSA-N 783.107 6.506 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl 82186885 NMCVKFSTCRQUOH-VMPREFPWSA-N 652.581 7.761 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](c2cccc(O)c2)SSC1 85596462 RBJJJRITONONPT-GJQDXZDFSA-N 578.756 6.507 50 1 KKGF biogenic,in-vitro COCC/C(SC(=O)OCCBr)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)OCCBr 95539526 IETMCPIUMJDCTA-ZUELCTOOSA-N 818.732 8.870 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccco4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283534 JRMHYTAFUWARMH-FMFFXOCNSA-N 561.614 6.178 50 1 KKGF COc1cc2c(OCCCCBr)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 98084320 VVNPMJFPJPHNCR-UHFFFAOYSA-N 515.356 5.477 50 1 KKGF O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@@H]21 104245601 HLLGIHOHYYUOEV-LDBVRRDLSA-N 525.970 6.240 50 1 KKGF C[C@@H](NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O)SS[C@@H](C)NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 150538535 RWWKDFOKWIRTOJ-IMJSIDKUSA-N 644.468 5.872 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccccc4F)cc3F)ccnc2cc1OCCCN1CCCC1 221076897 MYCWVKJMXJUBHH-QLQYKETESA-N 574.628 5.871 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cccs2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253634868 VHUICZOJPGXDGF-MBZHXNNOSA-N 579.542 5.909 50 1 KKGF CC(=O)O[C@H]1C[C@@H]2[C@H]([C@@H]3CC[C@H]([C@@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@@]12C)OOC1(CCC(C)CC1)OO3 299815638 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C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963013040 HXNGSAMNTGMKTC-QQOMJPAKSA-N 564.425 5.175 50 1 KKGF CC(=O)O[C@H]([C@@H](O)[C@H]1c2ccccc2CCN1[C@H](C#N)c1ccccc1)[C@H](OC(C)=O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 963209816 YALCIIIZZIDLRN-FVGARMQASA-N 720.939 5.012 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1OC 963447566 KZLHODFMHRHPGO-IRNVYJEWSA-N 713.581 6.244 50 1 KKGF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@]1(CCCCCCCl)c1ccc(C(F)(F)F)cc1 963684481 DVOZJGYCSJBAIN-QYDYLWNGSA-N 603.081 6.252 50 1 KKGF Cc1ccccc1CSC(=S)N1CCN([C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)CC1 1857601895 OPPMVDMZEHJYSO-WQDFWOKWSA-N 532.772 5.339 50 1 KKGF O=C(CCl)Nc1ccc(-n2[nH]c(=NCc3cn(-c4ccccc4Cl)nn3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857638472 KGQYPFOMGIBBSM-UHFFFAOYSA-N 588.286 5.687 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccccc4F)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccccc4F)cc23)cc1 1857646968 WKRLPKXXMCLRJN-UHFFFAOYSA-N 758.880 7.679 50 1 KKGF C=C(C)[C@@H](Br)C[C@@H](Br)C(C)=CC=NOCc1c(F)c(F)c(F)c(F)c1F 2356306016 AABFPTARQKBOHY-NWDGAFQWSA-N 505.119 6.324 50 1 KKGF CCCCCCCCCCCCc1c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc(CCCCC[C@H](Cl)CCCCCCCCC)c([C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1O 2356324011 HCBVATPLVALITE-DDDDYRSJSA-N 801.543 8.067 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@H]2C=CC[C@H]3O 2356374570 ZKHFRNBGXVLPAD-LZRKXPOFSA-N 974.388 7.542 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@H](CSSCO4)[C@H]56)[C@@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356387399 RUIXHNSGFOBLOG-KULFPQOBSA-N 768.947 5.752 50 1 KKGF CC(C)(O)C=CC[C@@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@@]2(C)CC[C@H]1Br 2356406644 BOWUPEPELVRGFV-OGZANOHWSA-N 521.492 5.507 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNc3cc(ccn3)C2)CCCC1 2356448488 FLURTCNJMRRJII-BVEYXTKCSA-N 656.914 8.686 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)[C@H]3CSSC[C@H](CCO)[C@@H]4[C@H](CO)C[C@H]1CC1=C3C(=O)C[C@]142 2356703096 LQMDFJMHSFIIIB-WWGITVGOSA-N 778.235 7.318 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)C 2356737772 CNPTXJXEBUDWNW-JVZIWWEKSA-N 599.897 6.509 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@H](C2CCCC2)Cc2cccc(c2)C1 2356747983 KTJDIHVSYFNWSZ-KYVONDFLSA-N 769.080 6.054 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356768066 JQEWGEHUZRMESG-UKDRWDCTSA-N 908.329 7.409 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNc7cc(ccn7)[C@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356773158 SBPACOZDSMBCNV-RLOUYWHBSA-N 704.955 7.928 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356826524 QZGWFXCTRMZWGW-BUNHYTGOSA-N 798.109 5.909 50 1 KKGF FC(F)(F)c1ccc(P(CCP(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)cc1 49799665 NJOXJFIZABUAPY-UHFFFAOYSA-N 670.414 9.327 50 1 KKGF COC1=C(OC)C(=O)C(CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C)C1=O 58575479 PPCDXNUUEBNVQC-UHFFFAOYSA-N 513.594 5.514 50 1 KKGF CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)C23CCC(C(=O)Nc4cc(CN(C)C)cc(N(CC)CCCl)c4)(CC2)CC3)c1 82182197 ZQBVWPBXZBFHJL-UHFFFAOYSA-N 673.774 6.858 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccccc5Cl)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916427 GSBVTFRGAWBIDG-ABFUGQQCSA-N 519.085 6.533 50 1 KKGF 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C[C@H]1CC[C@H]2[C@@H](CSCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169325460 PAJLLRUDJBTVAE-DJNFNATQSA-N 654.844 5.230 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)[C@@]3(OS(=O)(=O)C=C3NC(=O)NC(=O)c3ccccc3)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O 195132760 PZBQZOLCSYBCRV-MUEKVAHOSA-N 793.101 5.415 50 1 KKGF CNC(=O)NC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(I)cc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195449471 WKEZYTODLGQHCR-VBHAUSMQSA-N 796.860 6.682 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299809335 PRMIBYNRLGYONF-INFUOHEJSA-N 516.927 9.389 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccc(Br)o2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 299810370 UXDUVXYQKPADPT-NLYWHJMWSA-N 642.370 6.203 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587077710 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50 1 KKGF C[C@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@@H]1[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@H](C)CSS[C@H]4C=C[C@]12C[C@H]4C3 85543481 PJYPVJDDTCAMNC-FGZINNTMSA-N 640.015 10.293 50 1 KKGF biogenic,in-vitro O=C1N(Cc2cccc3ccccc23)[C@H](Cc2ccccc2)[C@H](O)[C@H]([C@H](Br)Cc2ccccc2)N1Cc1cccc2ccccc12 98082064 ULCDVWDXJDWVKK-WESAGZJESA-N 669.663 8.778 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccoc1)C(=O)CCl 118932855 ZMCKAHOCNZBGEK-JLWJLQCMSA-N 539.883 6.116 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 135996474 JTXHATPLRKWRIJ-OZTGUVMPSA-N 525.436 5.580 50 1 KKGF O=C1c2cccc3c2C(=O)[C@]2(CSS[C@@H]4Nc5nccc6c5-c5c4cccc5[C@H]4CCC[C@@]64C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 150344724 YINMVCVPKBNDCL-ZDSOORHOSA-N 861.007 5.824 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)c3cccc(C(=O)C[C@H]4O[C@@H]5C[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 169297441 ZOSGBQWIGRWFDS-ODTRVHDHSA-N 690.918 8.250 50 1 KKGF C=C1[C@@H](O[Si](CC)(CC)CC)CC[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@@H]1CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H]2OC(C)=O)C1(C)C 195347964 CLIVETVICYKYSS-QZMRLLAJSA-N 590.830 6.090 50 1 KKGF CCCC/C=C\CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 238739189 RHGTXJLTQOSXCQ-ZRJMHVEFSA-N 711.125 12.420 50 1 KKGF C=C1/C(=C/C=C2\CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C2CC2)C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C 238809198 MBPRAIUHHQIVQQ-LDIZJGARSA-N 639.170 12.425 50 1 KKGF CC(=O)OC[C@]12C[C@H]3O[C@@]4(O[Si](C)(C)C)[C@@H](O[C@H](C)C[C@@]45N=C(N)CS5)O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12CO[Si](C)(C)C 261160428 QSWOISMHTAQYAR-WIYLWKJYSA-N 805.196 6.770 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 587329667 LUCRGUPIOVTNFP-AVRDEDQJSA-N 531.246 6.478 50 1 KKGF C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330688 ORISCMFVTXOKLF-VKCVVMHYSA-N 509.293 6.588 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)N1 587719826 RHNZJLZUQMQRQI-PMIFWEEQSA-N 669.047 6.652 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587855586 GSVNMNYSUGNMIB-NOVUIFNWSA-N 604.029 7.829 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cccc(Br)c3[N+](=O)[O-])O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587936183 GPWAHSALHBVEOM-NFWXQWSASA-N 565.417 5.440 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]1(CCl)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 961950107 LIYGCAIESVVLOA-HPSLPFNASA-N 705.586 5.580 50 1 KKGF CCn1c(-c2ccccc2)c([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc21 963176330 HLRUKYOEJQCVBH-WXVAWEFUSA-N 547.404 7.082 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1ccc(OC)c(OC)c1)[C@@H](Br)C(=O)c1ccc(OC)c(OC)c1 963242018 PBDWVPPNAWAUPX-BIZWKHFRSA-N 582.535 6.268 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@H](c2ccc(C(=O)Cl)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946051 AOLJULYBUNCEMX-AQCTUAEDSA-N 628.216 5.292 50 1 KKGF CC(C)=CCC[C@@H](Cl)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 1772637446 XCRIWWSPRTXIPJ-FEUAKQSNSA-N 618.126 8.936 50 1 KKGF O=C(N/N=C/c1ccc(-c2cccs2)s1)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccccc1 1772641540 QFSVMEUDGQZIEI-WKULSOCRSA-N 557.060 5.779 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccoc2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857533785 ZABSPJOXBSMZHR-LMWUAZJOSA-N 563.474 5.440 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](NC(=O)CCC(=O)OCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857605725 KFRBDJQRBDMBMK-ZPKFVELUSA-N 669.150 6.314 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4cccc(F)c4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4cccc(F)c4)cc23)cc1 1857630963 TYMCMPBQERQCQQ-FTNJMUCTSA-N 664.716 7.944 50 1 KKGF COc1ccc(C(=O)/C=C/c2cc3c(c(C(C)(C)C)c2)OC(N)=C(C#N)[C@@H]3c2c(C)[nH]c3ccccc23)cc1 1857750013 MFHQUPALOMLUBF-ZBGGEJFGSA-N 517.629 6.897 50 1 KKGF C[C@@H]1CCCC[C@@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@@H]1OC(=N)O 2356322895 CXYLXULFSYHSRC-JHVDKOPNSA-N 907.576 11.735 50 1 KKGF C=C(CC[C@H](OS(=O)(=O)O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356339799 XPFSDJHOHZEAIC-ZAJAATBZSA-N 667.700 5.816 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356360869 QEZFPCQAONZDAC-SYTKZWHASA-N 925.315 9.612 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)CC[C@@H]4CCC[C@@H]4[C@@H]5[C@H](CCCO)NC[C@@H](C)O)c3)cc1CO)C[C@@H]2N 2356372666 KARJGCYECPMCRD-XZSQTJIFSA-N 981.424 7.867 50 1 KKGF C[C@@]12CCSSC[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC1(CCCC1)[C@@H](CCCO)[C@]42CC3=O 2356416840 HJFBPUVERHAAJZ-YXNVOZTPSA-N 505.794 5.428 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356512191 ORVWKESSDHBOAX-SDHWZVQTSA-N 885.240 6.519 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O 2356545630 LWGJGVMYMKRTML-ZICXAXJQSA-N 682.857 6.595 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12CC[C@H](C(=CC=CC(C)=CCC=C(C)C)CO)[C@@H]2O 2356589017 PBUFVTBEAOXKKG-XYBYDWSHSA-N 640.946 8.662 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356816911 DFJCMMDFYVUFLZ-JTNQZFQKSA-N 800.952 6.241 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@H](O)C2CCCCC2)C1 2356825004 HAQZPBYPEMRSBD-WPSJXTFFSA-N 917.292 6.208 50 1 KKGF C/C(=C\C[C@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 40375172 IQZRDEYKPNMTKJ-ANRPOGKRSA-N 501.151 8.588 50 1 KKGF C[C@H](NC(=O)Cc1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49780019 WOEHRBWYHDNVSH-AQDZNGIDSA-N 718.188 7.353 50 1 KKGF CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1c1ccc(S(N)(=O)=O)cc1 64553050 ILUQMHBWURRYNG-YIMMMDCSSA-N 539.057 5.034 50 1 KKGF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 95544693 LWTYDGJEOHWGQD-XWFYIGLGSA-N 822.944 6.202 50 1 KKGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCCCC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 103295487 YDEQVXFHNGXNCM-XDGYSQEVSA-N 551.522 5.516 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 150347686 STMXFFVLRXWUNB-UPDSYKBGSA-N 903.173 7.452 50 1 KKGF biogenic,in-vitro O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586993 VRBMXSWWVLWSPY-TWJUONSBSA-N 765.322 10.138 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCCNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 150595311 HZDQYUDSMAJAOZ-UHFFFAOYSA-N 700.870 5.897 50 1 KKGF CSc1ccc(NC(=O)N[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)cc1 195377243 LGGGOOLGQHXDIS-QSGNWFJVSA-N 645.993 5.566 50 1 KKGF COc1cc(/C=C/c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2O[Si](C)(C)C(C)(C)C)cc(OC)c1OC 195448495 RIQSNCUTZNZOQE-FOCLMDBBSA-N 560.880 8.659 50 1 KKGF C=CC(C)(C)/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(C)c1ccccc1I 195499412 GZYVEYSDFNCWHY-PGMHBOJBSA-N 541.590 7.585 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)cc1-2 299807537 SMZQWFRETNBBGR-QGZVFWFLSA-N 552.251 6.778 50 1 KKGF COc1ccc(/C=N/NC(=O)c2ccc(-c3nc4ccccc4s3)cc2)c(I)c1O 299862017 JALFJPNMPLVRIM-WYMPLXKRSA-N 529.359 5.046 50 1 KKGF O=C(COc1ccc(Cl)cc1)N/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 299862568 NLSSHPVCZMGMJW-FDAWAROLSA-N 500.982 6.027 50 1 KKGF C[C@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587536567 WOBRKTSAGMRYDS-TYHYVREOSA-N 576.202 8.136 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1scc(Br)c1Br 587610457 CIODCLRJOJTAPC-KUHUBIRLSA-N 575.072 6.231 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 587671936 BWFSFFCFMVPWHT-DLUDVSRJSA-N 558.245 5.562 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 587678815 DDVBWNFOZJYYBX-LDLUVENISA-N 534.856 7.460 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587712707 BLYNWDWRSZKJMY-VERCZCMLSA-N 693.069 7.464 50 1 KKGF Cc1ccc(-c2[nH]c3ccccc3c2[C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1C 962472352 FPCIBPTUIWTOTP-PDGFCRNHSA-N 668.193 8.590 50 1 KKGF CC(=O)c1ccc2c(c1)[C@H](c1ccc(Br)c(F)c1CBr)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626521 KFBAPHXBZJACQO-FPOVZHCZSA-N 585.264 6.022 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962703428 CSVDPEQGMXMDIQ-CHWDJHQDSA-N 764.667 7.693 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CCl)(c2ccc(N3CCOC3=O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963031391 DNJIMXUHSPVJSY-BVGRYSDNSA-N 645.058 6.664 50 1 KKGF Cn1c(O)cc2cc([C@@]3(CBr)c4c(ccc(F)c4F)C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)ccc21 963032114 CCABNFCQLJMXOW-UYHPJTEGSA-N 673.510 7.061 50 1 KKGF N#Cc1ccc([C@]2(CBr)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)s1 963071662 MDEXDSLQLYKKMZ-BYYXFNHRSA-N 785.609 8.215 50 1 KKGF C[C@H](Cn1ccnc1[C@@H]1N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21)O[Si](C)(C)C(C)(C)C 963191062 YIUOETPVLTZVPQ-UPRAQXHNSA-N 518.052 5.654 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(OC)c(OC)c1)[C@@H](Br)C(=O)c1ccc(OC)c(OC)c1 963242021 PBDWVPPNAWAUPX-OAFYREBZSA-N 582.535 6.268 50 1 KKGF CC(=O)N[C@@H](C)c1ccc([C@]2(CCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963929387 VHKZFJLRCLKFDP-YMGMXPECSA-N 553.494 5.508 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)([C@@H]2CCCN2C(=O)OC(C)(C)C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939499 XVTFSAZIVRCTNF-NYHIYBJUSA-N 707.359 5.657 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@](O)(CCCCO)C2CCN(CCCOC)CC2)O3)O1 2356355504 GFCXWUAMWTUQBH-LSRQUZTGSA-N 899.091 6.235 50 1 KKGF CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC2([C@@H](C)O)CCCC2)c(CO)c1 2356364926 BSRKCMWHVSVPDX-QYVCBCNNSA-N 791.045 7.756 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@@]3(C)O[C@H]([C@@]4(C)CC[C@@H]([C@@](C)(O)CC[C@@H](O)C(C)(C)O)O4)CC[C@@H]3O2)CC[C@@H]1Br 2356486994 LDQVWFLDLPYOLQ-PINRCZRGSA-N 605.651 5.184 50 1 KKGF COC(=O)[C@@H]1CS[C@H]([C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C)N1 2356544983 ASKCMCAJPPSBDL-ZJCHSKCTSA-N 658.244 5.922 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2CSS[C@@H]5O)C1=O 2356609810 NLMZLTIPCIPBAX-XQFONXDGSA-N 840.158 6.317 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356679700 CZHRPEINYJEVAY-ZDLJYZACSA-N 905.189 8.032 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@H]2C[C@H]3CSSC[C@@H](C)N[C@H]4CC[C@@H](c5cc(O)cc(c5)C[C@@H](C3)C2)c2ccccc24)C1 2356777384 USBLETYKXZAUDL-NAXVSXHRSA-N 561.901 9.300 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356850619 PROTXRDBJPCNCE-HKCVVXBASA-N 883.187 11.782 50 1 KKGF CC[C@@H](C(C)C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C 43587451 YULZMZJSERMVLA-VGEPHDSWSA-N 541.611 5.743 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@@H](Cl)C(C)(C)O[C@]1(C[C@@H]1C(C)(C)[C@H](Cl)CC[C@@]1(C)O)C2=O 83924483 XGGIVXWAYKZBIV-VKDXSDJESA-N 547.903 5.493 50 1 KKGF in-vitro CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](C(C)C)C3)CC[C@H](C[C@H](O)OC)C1 85596911 GBJSZTWRNAFNKA-CRRYIBOVSA-N 785.086 6.907 50 1 KKGF biogenic,in-vitro C[S@@](=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@H](OCCCl)C(Cl)(Cl)Cl 103220392 RPEVQASCBSXLTQ-ZZQWGBOMSA-N 593.069 6.171 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5CC[C@]1(O)C[C@@](/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]3CC(=O)[c-]1ccnc1CC#C2)(C4)[C@H]5CCC[C@H](O)CO 150349110 BWLCGFNYLZPEPG-AVAMVUNVSA-N 931.210 7.466 50 1 KKGF biogenic,in-vitro CC(C)Oc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 169325432 LXODXAYQTJLLIH-JREXYNDVSA-N 521.404 5.201 50 1 KKGF O=C(NNC(=S)Nc1ccc([N+](=O)[O-])cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828438 VSSRXHLGIORZNH-UHFFFAOYSA-N 501.612 5.242 50 1 KKGF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)N2 587031735 PEMQASNJALCAKZ-JHFYRWCBSA-N 575.448 8.110 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 587369793 OUDKFINSLGOEOL-XCZPVHLTSA-N 555.027 5.079 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)CC2=O 587455586 DLDRTZYTRWWYJS-SANMLTNESA-N 563.275 6.894 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 587673115 KLFIFEUDIRZERS-IGDNWMOBSA-N 579.392 7.223 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)(F)F)cc1 587719859 LYSFDBRSICCJAC-JCQPUDPBSA-N 545.802 6.911 50 1 KKGF C[C@@H]1Oc2ccc([C@@]3(CBr)c4ccncc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)cc2NC1=O 962478735 XVHKDMDPMBXIKR-OMBFGCJQSA-N 654.517 5.700 50 1 KKGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc(Cl)cc2)N1 962969267 QASPBKCCYWREJF-XZOYJPPVSA-N 525.766 5.360 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(c1ccccc1Br)[C@H](C)Br 962992802 YIMREXXTGFRCQF-XDBZFTIUSA-N 635.780 6.804 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1ccccc1Cl)c1ccccc12 1772622577 KAXVKPVZEFFWOL-BHVANESWSA-N 633.071 6.089 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1C(C#N)=C(N)N(Nc2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 1911585642 IOYBMXVDWGBVND-PMERELPUSA-N 653.556 7.638 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356365438 MGSQSAGZFAPXKF-MQCGFBLDSA-N 952.286 5.843 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)C5(CCCCC5)SSCCC[C@@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 2356589660 NGRNBHPIYIRGPO-FIVMKYLISA-N 922.310 11.352 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](c1cccc(O)c1)c1cc2cnc1N 2356632889 JSBSDRTYRLAMKE-BLSXTPALSA-N 602.778 6.986 50 1 KKGF COC(=O)CCCCCCCC[C@@H](I)CCCCCCI 2356636093 VDUKTFYQSFELAG-MRXNPFEDSA-N 522.249 6.469 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCO)(CSSCO4)[C@@H]85)C[C@]4(CCCC45CCCC5)C[C@@H]7NN6)[C@@H](O)[C@@H]3O)c2c1O 2356779998 ZYZNSDALSWQHRA-XRRCRTPLSA-N 929.164 5.317 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3[C@H]1CC[C@H]4[C@@H](O)C1 2356842700 MXIWWICXYPOOBV-LZZVTMFZSA-N 863.031 5.919 50 1 KKGF c1ccc(CCNCCCCCCNCCSSCCNCCCCCCNCCc2ccccc2)cc1 28221454 YWGPVJCOKMMZLM-UHFFFAOYSA-N 558.946 6.332 50 1 KKGF CCCCCCCCCC[C@H](Br)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F 44417934 RXSAZELNSIRDKZ-QFIPXVFZSA-N 567.479 5.581 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95535645 CECFVUQUCXYIPF-KUCXSYSJSA-N 724.841 5.212 50 1 KKGF CN1/C(=C\C=C\C=C\C=C\C2=[N+](CCS(=O)(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2cc(NC(=O)CI)ccc21 96077617 GNQRIBYFMMSWCZ-UHFFFAOYSA-O 896.824 5.951 50 1 KKGF in-vitro CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96907829 WYWIGVMFFRGSLT-PMERELPUSA-N 640.065 8.512 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 150343766 GEFOEAVVPZSQDR-QMXMGCJWSA-N 854.191 9.649 50 1 KKGF biogenic,in-vitro C[C@H](CCc1ccccc1)C[C@@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@H]2O)C3 150349137 NNPPEDJNBWNDIB-LBBGCPNUSA-N 949.272 10.211 50 1 KKGF biogenic,in-vitro CC1(C)c2cccc(CP(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21 306120678 MJSMNLPMNBKGFE-UHFFFAOYSA-N 592.659 8.509 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C(c1ccccc1)c1ccccc1 587544646 ORNXTIZGAPXPDI-NHZFLZHXSA-N 550.054 7.544 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587546731 XKFIFPVXCNVRMC-OFSOJUDTSA-N 518.009 6.158 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 587670992 NGYFWWPJKDJPMF-KRNUTZAJSA-N 550.060 5.367 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 587684364 WCAHVDVDMNUCLI-ZAMGYDSWSA-N 540.702 6.775 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 587688299 KXUYJFLCHZLYSS-RFDPVMAFSA-N 610.565 8.470 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587712344 OYXYOOJMAONIKF-DAOPMYJZSA-N 564.248 7.685 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 587721420 VGPDNUGPPHLJSQ-QPFGOUBPSA-N 544.459 6.316 50 1 KKGF CCCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)O[C@@H]3CCC[C@]4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)CCCCC2)nn1 621431731 BUCCEQIRSSECMF-QQDUBERSSA-N 762.842 8.259 50 1 KKGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)O[C@@H]2CCC[C@]4(C2)OCC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 621476363 HPLFYRRXWYSKLS-BILKSUAKSA-N 697.272 8.660 50 1 KKGF COc1cc2c(cc1OC)[C@](/C(C#N)=C/Nc1nc(-c3ccccc3)cs1)(C(C)(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962681986 YARCBZZYOKMIHQ-OXXYQFMLSA-N 646.735 8.306 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CBr)(c2ccccc2I)N1C(=O)OCC1c2ccccc2-c2ccccc21 963028241 AEYJWNOGJTWSBB-ZUKKLESISA-N 730.343 7.468 50 1 KKGF COc1c(Br)ccc(Cl)c1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963412697 FLPIJXQRDDERLA-IDISGSTGSA-N 632.736 6.383 50 1 KKGF COC(=O)c1coc([C@H](Cc2ccccc2)n2cc(C[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C(C)C)C3)nn2)n1 1857574890 SMFPZJVMLPYVPW-ICCROSPGSA-N 566.819 6.890 50 1 KKGF C[C@@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857607572 LLTSMUPBGWFURO-MRXNPFEDSA-N 549.427 7.863 50 1 KKGF C[C@@H](CCC(=O)N[C@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)[C@@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@H](O)C[C@@H]1C[C@H]3O 1857626853 UVECCUOFVSIRQV-LDOKCOBYSA-N 746.942 6.670 50 1 KKGF CNCc1c(O)c2c(c3c1CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@@H]1O2)C3 2356317486 VMVNJACIQVYSMQ-WEYQQQNESA-N 927.202 8.511 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356366060 YSRSDEHLBILRDM-YSHSEQDGSA-N 887.266 9.833 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356367541 AWIKEZZZALCXLX-OMCNMYPWSA-N 997.330 9.858 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2[C@H](CCCO)SS[C@@H]5O)C1=O 2356482681 RLIWUVLXIGHWPH-XUCQBSAASA-N 898.238 6.458 50 1 KKGF CC1=CC[C@H](Br)[C@]2(C)CC[C@H](Br)[C@](C)(O)CC[C@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@@H]12 2356531431 YWILZCJCOZQWNP-SBVSZPIDSA-N 665.301 7.458 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)C[C@H](C2(O)CCCC2)C[C@H]2CN(CCCOC)CC[C@@H]21)C4 2356654310 QFLXSRJKMHREAP-LCEUMUOUSA-N 953.139 5.235 50 1 KKGF COc1cc2c3c(c1OC)OOc1cccc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2)NCC4 2356709204 SBIUDDYYVPETIH-CLJLJLNGSA-N 566.654 5.747 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@@]6(O)[C@@H](C(=O)C[C@H]6OC)[C@H]4[C@@]35C)C[C@H]1C2 2356806608 AHBXEPWPWZIBMR-SVFIKMOYSA-N 625.941 6.684 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](CN2C=CNC2)(SSC1)[C@H](Cc1ccccc1)CN3 2356815321 CPWRNIVRNQVOND-WGKOWJBUSA-N 684.928 6.943 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356828142 ITAZLIWVEYEPCL-LXCYIEJASA-N 825.155 6.137 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356838782 MDDVZOZWZCKGBX-BTTPXYHLSA-N 888.030 5.221 50 1 KKGF N#C[C@H](/C(CCC(=O)Nc1ccc(Cl)cc1)=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 5891539 WGEZIBBZWASWKM-NOYYXIEDSA-N 510.981 6.011 50 1 KKGF CC(=O)/C(=C/C=C/[C@@H](OCc1ccccc1)[C@H](COCc1ccccc1)OCc1ccccc1)CCl 34074177 ZREIHMRLJIFLDG-FLEWJTNQSA-N 505.054 6.684 50 1 KKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(CS(=O)(=O)c2ccccc2)=N1 34802437 YCOYUTQCTFESLX-VNRABVQOSA-N 504.530 5.710 50 1 KKGF Cc1c(C(=O)N/N=C(/C=C/c2ccc(Cl)cc2)C(=N/Nc2ccc(Br)cc2)\N2CCCCC2)oc2ccccc12 49774741 ALASNHUDQJIOKB-VJWQLFLASA-N 618.963 7.868 50 1 KKGF Cc1ccc(-c2nc(CC(=O)N/N=C\c3ccc(OCc4csc(-c5ccc(Br)cc5)n4)cc3)cs2)cc1 66097721 YCYKAOACGDIILG-BVMLUPFRSA-N 603.567 7.276 50 1 KKGF COC(=O)c1c(C)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]c(C)c(C(=O)OC)c32)cc1 95537899 BVASTINHCMOUJA-UKMWMCGNSA-N 771.654 7.015 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@@H](O)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1 135799882 XOKHBXFRCKLTFQ-VHXXJFIISA-N 602.404 6.200 50 1 KKGF C=CCO/N=C(\C[C@@H]1O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]42OO3 169615354 WGDOECSYODBCCA-QANWSMIHSA-N 631.807 6.436 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1C(C)(C)C 587319332 KXYDWQSAANEPIR-WBKTUTADSA-N 991.168 8.603 50 1 KKGF COc1cc2c3c(c1)O[C@@](CBr)(c1scc(Br)c1Br)[C@@H](C2)C3=O 587454172 WNYBXSNJPBORLU-XXFAHNHDSA-N 523.040 5.320 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21CC(=O)c2ccc(O)c(CCC)c2O1 587459669 OSEGCYUOICZAPN-YTMVLYRLSA-N 513.516 7.818 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 587674589 XWKQFQYLUDWVOS-OZAJXLCCSA-N 601.141 7.055 50 1 KKGF Cc1cc(/C=C(/C#N)C(=O)O)c(C)n1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587886229 LZJJTNCNJNMHDV-XKZIYDEJSA-N 506.389 5.103 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCl)(c1cc(C)n(Cc3ccccc3)c1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962639729 WCUCBNDVKCROQM-DHIFEGFHSA-N 551.083 6.085 50 1 KKGF CC1(C)CC2=C([C@H](c3c[nH]c4ccccc34)C(C#N)=C(N)O2)[C@]2(C1)N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962770819 UBIGSAOLFRZWAP-HXVQJGFHSA-N 532.566 5.591 50 1 KKGF COc1nc(O)c([C@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(O)c1OC 963185040 KAQNETZOZKRPGC-KARNXVAOSA-N 615.860 5.533 50 1 KKGF COc1ccc2c(c1)[C@@](c1c[nH]c3ccccc13)([C@@H](Cl)c1ccccc1)N(Cc1ccc(F)cc1)CC2 963300329 DBJOALAFXLMILD-AJQTZOPKSA-N 511.040 7.598 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@H](c2ccc(OCc3ccccc3)c(B(O)O)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369870 YNBKHTKMAPXQRN-YBZKQSBQSA-N 655.512 5.089 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)c1cc(C)n(-c2ccccc2Br)c1C 963632759 GYMKXXWQAZRNPJ-MQNRADLISA-N 503.868 5.890 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccc(Br)c(F)c1CBr 963903662 CYARTJROCPUWIH-QRQCRPRQSA-N 571.281 6.517 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(COC(=O)c6ccc(N(CCCl)CCCl)cc6)[C@@H]5CC[C@]43C)[C@@H]12 1857574216 YFXKWPNQISEXEB-UEWIKTPCSA-N 716.831 9.211 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccc(F)cc2)nn1 1857750120 PBSROSKGEUDSEH-DFSWDFDPSA-N 535.660 6.048 50 1 KKGF COc1cc(N[C@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(Cl)cc1 1857757648 DCRLWAZAQVLFKH-WGYKOULYSA-N 662.271 8.683 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356358199 YDBLSULQZKAMOV-LVISFCMASA-N 803.094 5.264 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356365148 GDMACCFXIAJTKG-SUBGAHRZSA-N 653.999 6.548 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O 2356368765 OCBIJFJFCBPYMV-SAUHWFJUSA-N 682.857 6.667 50 1 KKGF CN=C1NCC[C@@H]2SSC[C@H]([C@@H]3C[C@@H](OC(C)=O)C[C@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)Cc3ccc(O)c(c3)O[C@H]3CCC[C@@]2(C3)N1 2356370909 FDLSNJROBWZSFO-HZEKBIHGSA-N 778.994 6.223 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@@]23CCC[C@H]2C=Cc2cncn23)SSC1 2356831147 JMMRSLJAGPIWRQ-VJARHSMFSA-N 646.879 6.172 50 1 KKGF C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@@]21C 72170189 PZXHPUCNJAGWRH-ZYBLTDGTSA-N 540.585 6.963 50 1 KKGF C=C(/C=C/C=C(/CCC=C(C)C)COC(C)=O)[C@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 136000387 KPFIRSWIEJGVNZ-ZKAKUSEISA-N 528.730 5.541 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc7c4C=C[C@H](N7)SS[C@@H](NC[C@H](C)O)[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344194 SVVCLGAAKCQWQY-XINLSDMFSA-N 727.993 7.988 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)[C@H](Br)C[C@]4(C)[C@H]3CC[C@]12C 169302539 RZOPFFIQLURKLI-BYXNGVTISA-N 547.490 6.677 50 1 KKGF CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716315 ORKGXMBZXZHPOQ-YHSNUZGLSA-N 557.728 5.206 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H](CC[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(OS(C)(=O)=O)cc1)c1ccc(F)cc1 195150683 GWBQNZUXCMGMMU-MPFGFTFXSA-N 601.788 7.551 50 1 KKGF S=C(Nc1ccccc1Cl)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1Cl 473147897 GGHTYEVDAXNTJE-UHFFFAOYSA-N 587.648 9.411 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C(Cc3ccccc3Br)Cc3ccccc3Br)nc2c1 586976906 RDOXNRSGSITOEJ-UHFFFAOYSA-N 675.153 10.077 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587077247 SMHSBSDYYWWQNJ-CQSZACIVSA-N 502.690 7.253 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)CCC2 587325632 GJVHAWRFKSQODY-IGYGKHONSA-N 516.012 6.921 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538755 RNRQIVKFCIFZFF-NAKRPHOHSA-N 599.264 6.938 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 587672241 FGJSWHPZYRDOMK-RKNYENMMSA-N 611.693 6.309 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 587672771 HOHXVUIUZIYREJ-RZFZLAGVSA-N 611.693 6.309 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587687356 GEELYFRAHCXWLT-JYCPIGSLSA-N 527.821 5.525 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)(F)F)cc1 587719864 LYSFDBRSICCJAC-ZAMGYDSWSA-N 545.802 6.911 50 1 KKGF O=C1C(=Cc2cc([C@@]3(CCl)NC4(CC4)Cc4ccc(Br)cc43)c[nH]2)C(=O)c2ccccc21 961617841 XBAMRXAAMWLSFO-AREMUKBSSA-N 507.815 5.401 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)c(Cl)c1Cl 962675465 XBFGOMIHTIBUMV-BJKOFHAPSA-N 586.335 5.072 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCCCl)c1ccc(C2OCCO2)s1 962992812 MJRFZWUXUXYZHL-PMERELPUSA-N 604.552 6.384 50 1 KKGF O=C1C(NC(=O)C(Cl)Cl)=C(Cl)[C@]2(c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 963042526 TTXYURQHPWFXLL-XVODIUIHSA-N 723.943 7.035 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1ccc(Br)c(Cl)c1O)N(C(=O)c1ccccc1N)CC2 963148444 ZWWMBFBHFDNTFJ-RUZDIDTESA-N 566.279 5.588 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCN(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C2 963244891 XOXAODRCYXMDPE-VTYUZOFQSA-N 502.816 6.960 50 1 KKGF CC[C@H](Cl)CCn1cc([C@]2(C3C(C)(C)C3(C)C)NCCc3c(OC)ccc(Cl)c32)c2ccccc21 963259007 QFEWXFVNJPUKAB-ADSBAMQRSA-N 513.553 7.782 50 1 KKGF Cc1cc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)c(C)n1-c1cccc(Cl)c1 963442627 FIDUVKLVCSHXFK-IUDBTDONSA-N 572.492 6.863 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@@]2(CCl)c2ccc(CC(=O)N3CCOCC3)s2)c1 963553041 QSMVANUIFGJCFR-HKBQPEDESA-N 657.114 5.303 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)Cc6cc7cc(Cl)ccc7nc6C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NNC(=O)c2ccccc2)CC[C@H]1C 1772573969 UOZIGAFEQDJHIV-NTZPXQERSA-N 692.388 10.021 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356366735 PIPSBIQKTMQCDO-MTZFMSLISA-N 909.262 7.377 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)CCC(C)C)c(=O)oc3cc1O2 2356372024 WBPXDCQQMMWEBK-QSCRBGQCSA-N 875.167 6.368 50 1 KKGF C=C(C=CC=C(COC1(O)CCCC1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356476743 JMLZQLAOZGZBIU-WZBORXFGSA-N 841.187 7.258 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356515987 HZDPBFGZGQOUKY-NXVZRSDASA-N 742.964 5.953 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356672673 SICMJLYMVUWQSB-BCXWXURISA-N 827.160 6.378 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356673385 LUXKQPPRLHECLW-OLHOONADSA-N 854.237 6.166 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC3)CCC[C@@H](CC1)[C@H](O)C2 2356771078 PDZPNXJERVDUOH-KBVOBRJUSA-N 995.450 11.874 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@H](O)CCC(C)C)c(=O)oc3cc1O2 2356812460 BJQKNAAJFOEWDA-JMXQUPDLSA-N 877.183 5.941 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(CCCO)C(=O)O[C@H]1C3 2356820025 FHKNBUNGMNMQGI-PKPJTXJLSA-N 824.982 5.360 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](NC[C@H](C)O)C[C@@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356857086 SGKMBNRXXKIBFE-UIFUYMEOSA-N 997.378 6.259 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)CC1 2356858479 TUHWCANAJAFRAP-DFOJQLOZSA-N 829.101 7.147 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356863982 VJSYMSTYQQNTEV-HBOBMWQPSA-N 729.965 6.716 50 1 KKGF Clc1cc(Cl)cc(CNCCCCCCNCCSSCCNCCCCCCNCc2cc(Cl)cc(Cl)c2)c1 29396628 AOUVKAKDMIOTLP-UHFFFAOYSA-N 668.672 8.861 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccn2C)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 42765466 ISKQMPRXCVXJIK-VMEYJVCWSA-N 576.517 5.186 50 1 KKGF COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)N/N=C\c3ccccc3[N+](=O)[O-])n2)c(OC)c1 49808262 JSGCBVYGUAMMDQ-MBTHVWNTSA-N 532.944 5.545 50 1 KKGF CCOC[C@@]1([C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3 64447874 CFHRYRLQXBPTID-MFXGVCLKSA-N 634.814 6.309 50 1 KKGF Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)c4ccc(N)cc4)cc3)cc2)cc1 95612184 OQHOLHPKJIFZMZ-UHFFFAOYSA-N 766.948 7.821 50 1 KKGF COc1cc(N[C@@H](C)CCCNCC[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c2ncccc2c1 103250424 KEJXCYMAYLVWMF-XZYLVDFTSA-N 553.744 6.054 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@]1(C[n+]3cc[nH]c3)CCNc3ncc2cc31 103529696 HAYGZZIKDRSILH-FOWJYHQRSA-O 617.817 5.936 50 1 KKGF biogenic,in-vitro CCN(CCCCCCNC1=CC(=O)C(NCCCCCCNC(=O)CCCC[C@@H]2CCSS2)=CC1=O)Cc1ccccc1OC 150537082 DMQUTDCZMKIKEE-SSEXGKCCSA-N 673.002 6.567 50 1 KKGF COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CN(CCCl)CCCl)c(OC)c2)ccc1OC(=O)CN(CCCl)CCCl 150608557 UNDHDKCATDZAPE-FCXRPNKRSA-N 732.485 5.329 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNP(=O)(Oc1ccccc1)Oc1ccccc1 170069634 DXEQJDVNWKMZDS-VDKIKQQVSA-N 573.659 5.070 50 1 KKGF O=C(CCCc1ccc(N(CCCl)CCCl)cc1)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 199912322 NPLBBPXOCFPTKL-UHFFFAOYSA-N 850.331 10.507 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 254130868 HJZKIBHFMSMROG-FKEBYFGASA-N 711.907 7.130 50 1 KKGF CC(=O)O[C@H]1C[C@@H]2[C@@H]([C@H](OC(C)=O)C[C@@H]3CC4(CC[C@@]32C)OOC2(CCC(C)CC2)OO4)[C@H]2CC[C@H]([C@H](C)CCC(N)=O)[C@@]12C 299814682 SFYMERLVGXDHSO-QSCLSNSWSA-N 633.823 6.143 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C/C=C(\C)CCCO[C@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299865610 NYVDLPJGHWBXKG-NHWYCAQKSA-N 631.710 10.489 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(OC(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191353 SYASNASMZNWDMN-WVZVKJAQSA-N 645.763 7.493 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(F)ccc(Br)c1Cl)CC2=O 587464885 CNRPSDKCJYGGCJ-IBGZPJMESA-N 506.593 6.155 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587546397 WJLRBENBMSODCY-VAVYLYDRSA-N 546.362 5.673 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Cl)cc(OC(F)(F)F)c1 587555725 LUNSWLFIWAGDTN-NQIIRXRSSA-N 529.692 6.196 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1OC 587854135 QDOZFLFPLMFWFP-BZLMUUGBSA-N 550.881 6.005 50 1 KKGF C/C(NNC(=O)COc1ccc(Cl)cc1C)=C1/C(=O)c2ccccc2[C@]12c1ccsc1CCN2Cc1cccn1C 962401921 XQCSNLFBBSSIQO-OUXZYKPHSA-N 587.145 5.520 50 1 KKGF COc1cc2c(cc1OC)[C@](CSC(=Nc1ccccc1)NNC(=O)CN1c3ccccc3Sc3ccccc31)(c1ccc(Cl)cc1)N(C)[C@H](C)C2 962625701 JTMWCXDUNQUFRW-RRCPXHSZSA-N 750.390 8.822 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](C)(c1cccc(CBr)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962625987 DLLXSQIWJGWRTL-SQJMNOBHSA-N 502.405 5.294 50 1 KKGF CCOC(=O)N1CC[C@]2(c3cc(O)ccc3C[C@@H](C(=O)OC)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](Br)C1 963367135 MUWSTXWIEMPJCT-DWDWHFOYSA-N 649.538 5.562 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4O)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4O)cc23)cc1 1857758243 VEMHRCFRUDDASQ-PFUSVQNESA-N 660.734 7.077 50 1 KKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc(Br)cc2)C1=O 1857771143 IUNBEIVSBUIBKW-OAQYLSRUSA-N 527.459 6.396 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356354104 VWUYDVNJXDDWSS-MHKUOEJISA-N 902.226 6.527 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356355466 FUJBODJNDWCRCY-LNUJZFLCSA-N 639.968 7.775 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356360844 PKMBWMDJQUGTGG-UYVXOPRVSA-N 590.845 6.972 50 1 KKGF C[C@H](O)[C@H]1C[C@@H]2CC[C@@H]1SSC[C@@H]1C[C@@H]([C@@]3(C)C=CC[C@@H](C)C3)C[C@@H](Cc3cc(O)cc(c3)Cc3ccccc32)C1 2356369286 DXWFVIDCVNKCBO-BQRYTYTPSA-N 590.939 9.579 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@@]6(O)[C@H](C(O)=C[C@H]6OC)[C@H]4[C@@]35C)C[C@@H]1C2 2356472971 OQWBIYWFIJETGR-TZNDNNSYSA-N 599.903 6.634 50 1 KKGF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]45O[C@@H]4[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@@]5(C)[C@H]3CC[C@]21C)C(C)C 2356595445 HAAIKLIMLBUYHH-GTSFNFQYSA-N 627.303 5.278 50 1 KKGF CC[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C(C=O)c3cc(O)c(C)cc3C(=O)O1)O2 2356641220 JGPJFMHMGCEUNW-SDOGYBECSA-N 522.682 6.841 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@H]2CCCC[C@H]2CNC)Cc2cccc(c2)C12CCCC2 2356715714 PIXSGLHIOYCJGE-LXTWMRCSSA-N 996.428 7.624 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356731633 UIZLUTJCRGLYEX-IEVKNAHESA-N 789.029 7.964 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H](Cc2ccccc2)SSC1 2356831395 JORSCINVPDIYHR-XIENWVGYSA-N 604.838 6.701 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H]([C@@]23CC4(CCCC4)C[C@H]2C=Cc2cncn23)SSC1 2356856762 SDGSVVPDTBAHAE-VHHZUUHVSA-N 727.009 8.047 50 1 KKGF COc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 27710919 IOBAEBZQTPJLQF-LJQANCHMSA-N 565.029 6.752 50 1 KKGF COc1ccc(Nc2c3ccccc3nc3ccccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1 44430761 CPKLLAAWXGGCHN-UHFFFAOYSA-N 575.496 8.035 50 1 KKGF COc1ccc([C@H]2C[C@@H]2NNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 95606630 HTASPJMRRZBYOC-PXJZQJOASA-N 749.817 6.508 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4o3)ccc2[nH]1 95608750 RRMSFLWRFMTZSS-MRXNPFEDSA-N 741.075 7.167 50 1 KKGF Cc1ccc(C(=O)NC2=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 102823959 DEHOPJIMCIIWBF-HHHXNRCGSA-N 607.519 5.725 50 1 KKGF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])cc1)C2 102980457 VZUKFDZKSHWIIL-OAHLLOKOSA-N 523.563 5.005 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@]14C[C@H]5C[C@@]67CCC[C@]6(C[C@@H]5[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4)C[C@](O)(CO)CC7 150349096 OAQCTGKYMSQBOL-HGHDYMPJSA-N 997.313 8.636 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)c3ccc(C(=O)OCC[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297060 SPRRUFWBLNCDAT-KDQKNRJWSA-N 754.914 7.281 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 195518618 LWPHQIZHZGFZCD-GDHFEQTISA-N 543.410 6.305 50 1 KKGF CN(C)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc21 224190698 ANEDRESITAZMQR-ZSFFSCSXSA-N 604.637 5.066 50 1 KKGF CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]23)O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1OC(C)=O 299808807 UCVUPSIJBDVKII-ZSJDZZTISA-N 965.254 5.291 50 1 KKGF CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 299826026 PTYVCIVEJQEWFZ-ULRAGIIGSA-N 879.828 5.734 50 1 KKGF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(F)(F)C1 587132116 KJYHWJTUMPISND-SECBINFHSA-N 528.288 6.952 50 1 KKGF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 587191736 WOVKGKRGKAUXKW-HSDHHITHSA-N 712.726 7.534 50 1 KKGF CC[C@H](C)[C@H](NC(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 587202911 CEHOODWNAHMLGA-GSLFCAENSA-N 736.558 7.005 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@](C)(CC)NC(=O)c1cc(Cl)c(C)c(Cl)c1)CC2=O 587458870 LUOLQMDTTZJPRN-JWQCQUIFSA-N 512.861 6.501 50 1 KKGF O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542083 FOFDGUCWYZLQKW-CYTLCNBWSA-N 532.979 7.344 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc2c(c1)OCO2 587687047 FHGQECXZWFCIKY-DLUDVSRJSA-N 519.842 5.800 50 1 KKGF Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587856581 IVFOYAKUEZIOHP-CHAGWJKLSA-N 561.948 6.840 50 1 KKGF CN(C)CCSSCCNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@H]1c1ccc(Br)cc1 621477415 JPZFQTAMQSANLU-RBUKOAKNSA-N 621.450 5.377 50 1 KKGF COc1nc(O)c([C@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1OC 962471304 CZDGJWSNLYUHRF-QRSWPTROSA-N 736.649 6.918 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)c3cccc(F)c3CCN5[C@@H]3CCSC3)[C@@H]2C1 962705152 JNQBJYKZGLNQJN-HUKVXSITSA-N 600.215 6.921 50 1 KKGF CC(C)C[C@]1([C@H](Br)[C@H](Br)c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962709895 OTTPMAVVEBOJHA-ZPOKTZCFSA-N 555.395 7.330 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CCCCl)c3cccs3)c(O)c2C(=O)O1 962977641 ZTZZDGCEGAWUGS-DRNQYWASSA-N 574.482 5.623 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CBr)c1ccc(F)c(F)c1Br 963061571 FBUMJWPFSPKVOY-DGUDUIIESA-N 644.307 5.845 50 1 KKGF COC(=O)CS[C@@H]1C=C2[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)/C=C(\C#N)c5ccc(F)cc5)C[C@H]4[C@]3(C)CC[C@@]2(C)c2cc(OC(C)=O)c(OC(C)=O)c(C)c21 1857559870 DGLNDZZGNTVJOI-PNPSFEMISA-N 872.065 9.626 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(OCCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c(OC)c1 1857566064 VIIWLSMBDGXISL-RWSKHTANSA-N 737.934 9.104 50 1 KKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@]12C(=O)N(c1ccccc1)c1ccccc12 1857568051 IPPJAEXRMNKPRZ-YTTGMZPUSA-N 525.520 5.216 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCCCOc2ccc3cc(-c4ccc(Br)cc4)c(=O)oc3c2)nn1 1857747005 SYADBORNUTUMAG-MHZLTWQESA-N 671.683 7.394 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356300035 KDSYVRLFZAFSFL-HUXQDOPZSA-N 946.245 8.975 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@H](NC[C@@H](C)O)C2)Cc2cccc(c2)C1 2356360616 JUUFJROMHPGSHV-NRVJSWPASA-N 972.362 5.858 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@@H]1CC[C@H]1SSC[C@@]3(NC(=N)NCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C[C@@H]12 2356374379 UUXFDLVJUADWSM-SJPVIODFSA-N 809.020 5.781 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@H]4C1=C1C[C@@H](CC#CO[C@H]43)CC[C@@H]51)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356407636 GUXVZIQVJOIJHX-CQGVYCBESA-N 896.277 7.584 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)[C@@H]3CC[C@@H]2C=C[C@H]3SSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C12CCCC2 2356450967 PYVKZEPYFHMRAI-BLMJOZTPSA-N 933.291 9.081 50 1 KKGF C[C@H](O)CCC[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356718638 BHNGAEWWSREPQU-XXUBFTPQSA-N 874.182 9.347 50 1 KKGF C=C(OO[C@@H]1[C@H](C)C[C@]2(C(=O)OC)C(=O)C(C)=C[C@@H]3[C@H](CCC(=C)[C@H](OOCC)[C@@H]12)C3(C)C)c1ccccc1 2356743437 CKNMYOIOGOCGJM-HRJQNFEISA-N 538.681 6.264 50 1 KKGF CC[C@@H]1C=C[C@]2(C3=CCN=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@@H]2C1 2356836282 KZFHRKCUFLMZKM-UDPMEZPFSA-N 529.724 5.760 50 1 KKGF C[C@H](NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)c1cccc2ccccc12 27634488 MXMYDUXQKSQGDF-AWEZNQCLSA-N 515.791 6.256 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCCCCCCCCCCCNC(=O)/C(C#N)=C/c2cc(O)c(O)c(OC)c2)cc(O)c1O 43490906 YHBLYDLXCDLKFU-RYQLWAFASA-N 634.730 5.174 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)NC)[C@@H]4CC[C@@H]3C1)OO2 64409760 GJRXTRLGYYPAIW-MZRBTALXSA-N 603.841 7.252 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc([N+](=O)[O-])c1)SS/C(=N/c1cccc([N+](=O)[O-])c1)OCCN1C(=O)c2ccccc2C1=O 95615943 NMGCCMMENWLRGJ-LBYUQGKWSA-N 740.732 6.185 50 1 KKGF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@@H](CCCc1ccccc1)C[P@@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O 169362235 WUXSSALNWBMRKU-ZEFJTTDVSA-N 759.244 5.332 50 1 KKGF COCOc1c([C@@H](O[Si](C)(C)C(C)(C)C)c2cnc(Sc3ccccc3)n2C)ccc(OC)c1OC 195506156 UNLPTGJLOQDTPF-HSZRJFAPSA-N 530.763 6.682 50 1 KKGF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1C 586946964 GSDCPXWGOBWZEQ-UHFFFAOYSA-N 582.414 8.067 50 1 KKGF NNC(=O)c1ccc2nc(C[C@H](Cc3ccc(Br)cc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 586995267 DPTOYKQBMLUWEA-QFIPXVFZSA-N 610.512 5.621 50 1 KKGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@H]21 587276336 KTBDGGDZIVUPEY-JCGVRSQUSA-N 551.335 8.026 50 1 KKGF Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)c1C(=O)CCl 587326006 JDMJTKIXAIKPLY-XNMGPUDCSA-N 501.381 6.371 50 1 KKGF CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1OC(CO)=C[C@]21c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963013103 HYZKHSPTDRWHNW-WANZFQKJSA-N 665.102 5.193 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@]2(c3cc(Br)ccc3C[C@H]2Br)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963088417 CEYIUVHEKGJJAT-YTFBDJPQSA-N 679.452 8.316 50 1 KKGF CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963100020 TWTZAIOOLVMYJW-CDQCNNRTSA-N 778.394 5.408 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCCCCCl)(c2ccc(F)c(C)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381292 UGKPOZLGYSNYFN-LFGICVIVSA-N 642.167 8.231 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)c1cc(C)n(-c2ccccc2Br)c1C 963632762 GYMKXXWQAZRNPJ-ODCWNRFASA-N 503.868 5.890 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)([C@H](C#N)c1ccccc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963797127 XYMYDCNDEFIQNO-DJUQAAIZSA-N 572.459 5.350 50 1 KKGF COc1ccc(C2([C@H]3C[C@@H](n4cc(C)c(O)nc4=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)SCCCS2)cc1OC 1772578082 XOVCHKAKMMRPCH-ZTCOLXNVSA-N 594.872 5.923 50 1 KKGF C=CC(=O)Nc1cc(Nc2nccc(-c3cn(C)c4ccccc34)n2)c(OC)cc1N(C)CCN1CCN(C(=O)COCCOCCOCCCCCCCl)CC1 1857546174 KTOCXFJJRZYEBU-UHFFFAOYSA-N 805.421 5.941 50 1 KKGF COc1cc2c(cc1OCCCC(=O)Nc1cc(C(=O)Nc3ccc4sc(C(=O)NCC(C)(C)SSC)cc4c3)n(C)c1)N=C[C@@H]1Cc3ccccc3N1C2=O 1857546211 VMICYGLSXMMLIU-NDEPHWFRSA-N 811.024 8.105 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@@H]1C(C#N)=C(N)N(Nc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1911586360 YOZVXZDTPFNWMS-PMERELPUSA-N 592.650 7.015 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCCC[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356355759 GYAYCKCNUPDZHZ-LGMNWQTQSA-N 864.180 6.483 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@@]35C 2356364345 WDDOIXBZHYQOKM-MPAQOIRZSA-N 932.299 7.553 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356366692 OOPWXZHGLCELGS-XIJFYTJUSA-N 903.255 6.431 50 1 KKGF CNCc1ccc([C@H](NC)O[C@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)cc1CO 2356376092 OEXPJOVDFPSXRN-VHRGECNRSA-N 690.928 7.399 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356383978 HGJXSAMCAIVHEL-XKHMFWSNSA-N 819.140 7.057 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@]13CC[C@@H](C[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@H](O)[C@H]2O6)[C@H](C)CCSS3 2356418527 LMMNQEFKHMLCLB-UQKCKCTISA-N 732.917 6.424 50 1 KKGF CC=CC=CC[C@@H](C[C@H](CCCCCCc1cc(O)cc(OS(=O)(=O)O)c1)SS[C@@H](CCCCCCc1cc(O)cc(O)c1)C[C@@H](CC=CC=CC)OS(=O)(=O)O)OS(=O)(=O)O 2356568758 OZONNSYTHKPECL-PUQVAREJSA-N 967.278 9.991 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCCBr)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356624541 GMONSDQGAGUQRU-IZIKOTTDSA-N 749.784 10.639 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356646222 UPYDYPAWWZYDLK-HWSQYOQCSA-N 841.011 6.092 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@]35C 2356708887 GYGPHXHVVMDRKV-LOIQFKGESA-N 902.273 8.335 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C3CCCCC3)[C@H]21 2356733883 DFAJESZZTCQKIT-AFTPHMKPSA-N 972.416 8.499 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CCC(Cl)=C(C)C)[C@H](Br)CC[C@]2(C)[C@H]1Cc1cc(Br)cc(Br)c1O 2356805171 VFDRWRLRZIENRT-WUSYTRHVSA-N 637.722 9.925 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CC[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@@H](O)C1 2356834314 KASQAIMFZKCFJP-VFPXMMCZSA-N 887.137 6.312 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@@H]1C)N43 2356860246 UDDKJHIRDUXIBO-MJFDMOPSSA-N 748.064 8.181 50 1 KKGF Cc1c(CBr)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 27849437 QNGGALWFQXIXAT-USQJUTIZSA-N 729.617 5.907 50 1 KKGF O=C(N/N=C/[C@@H]1NN(c2ccc(F)cc2)[C@H]2[C@@H](Cc3cccc4ccccc34)CCC[C@@H]21)c1ccccc1 40457094 IWRDBMLARBRACV-AJYGXZODSA-N 506.625 6.116 50 1 KKGF CCCCC(CCCC)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(C#N)ncc1Br 58568836 ZOSXJGNTZNEQAR-UHFFFAOYSA-N 570.580 5.006 50 1 KKGF CC[C@@]1(OC(=O)OCCOCCOCCOCCOC(=O)CCCC[C@@H]2CCSS2)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 95540320 UMSNAPCWZMITRQ-AYAMJOBCSA-N 756.896 5.548 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](CI)C4=C(CC[C@@H](O)C4)[C@H]3CC[C@@]21C 96341692 QJHZPCLORSPENH-RRYLKMFDSA-N 512.560 7.804 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2cccs2)C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 100078348 GBKOOYWEIMAPGC-CJFMBICVSA-N 546.066 5.224 50 1 KKGF CC(=O)N[C@H](Cc1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 195464699 YIRPLGKUOHBEPW-RBFGMAKQSA-N 790.251 6.825 50 1 KKGF CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 299838672 QTQLGNQQJRBIBI-CBZJRKILSA-N 524.617 6.433 50 1 KKGF CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C 586919848 JFWLRGJMMNRZAS-KKLQXGGBSA-N 840.731 11.706 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3cc21 586974392 WBTBJBCGCOIRNH-KRWDZBQOSA-N 653.485 7.028 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)cc(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191949 ZOKDFZAAGXDNOO-YEXLVFSCSA-N 614.202 7.387 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2C(Cl)=C[C@@H]4[C@H](CC[C@@]5(C)[C@H]4CC[C@]5(OC(C)=O)C(C)=O)[C@@]2(C)[C@H]3CCl)c1 587357712 KMKKGTLCAKYUID-BQDLPQPUSA-N 684.660 9.852 50 1 KKGF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccc(CBr)cc21 587537445 FMXIANLPYXYVQM-RBJSKKJNSA-N 513.343 5.737 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 587671910 BKCWYKFAFMUKFX-IVCQMTBJSA-N 562.277 6.510 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 587679181 FMJXENMENJIZFP-VVVCHXIZSA-N 517.053 5.496 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685396 PXDZRZROODBRFU-DQLWACAZSA-N 511.863 5.898 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(Br)c1OCCBr 587875330 SAICVJBCOOXWJA-UHFFFAOYSA-N 520.048 5.240 50 1 KKGF CC1=C([C@]2(C)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)[C@@H](c2ccco2)C(C#N)=C(N)O1 963905106 VZMYZZKNSLCWOH-OLIZHGJZSA-N 519.598 5.222 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c1N[C@H](c1ccc(F)c(F)c1)C[C@@H]2c1ccc(F)cc1 1857579778 AWGIISRDXZYJJA-MVSFAKPFSA-N 539.537 7.432 50 1 KKGF C=C1CC[C@H]2[C@@](C)(C(=O)OCCCOC(=O)[C@@H]3C(C=O)=Cc4cc5c(cc4[C@H]3c3cc(OC)c(OC)c(OC)c3)OCO5)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 1857765816 BLZZJISGFGIPMR-LVMKGYDZSA-N 945.071 9.677 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356291924 GZOCAEKJTWXDLO-PHNFNBMOSA-N 915.280 8.247 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OC)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O 2356360598 JNYWHADAMPJTLY-JUCZTVHTSA-N 636.832 7.527 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)CN[C@H](C)CCOC 2356360711 MCLJQJFGZWVVNY-QWRRTNFQSA-N 701.046 6.503 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356366734 PIPSBIQKTMQCDO-MJPBQIFWSA-N 909.262 7.377 50 1 KKGF CC(=O)O[C@H](CC=C(C)[C@H](Cl)C(Br)Br)[C@@](C)(Br)CCl 2356453624 DTCZNJROCVEBBU-SCVCMEIPSA-N 503.884 5.370 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356473148 UYKSHHNEEPZUPQ-VODUQVPHSA-N 974.388 7.081 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356515985 HZDPBFGZGQOUKY-JCCPFHIQSA-N 742.964 5.953 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)C[C@H]([C@](C)(O)C2CCCC2)O3)O1 2356647410 LXCVRNKYDMTKNL-WHCUREPSSA-N 625.718 6.120 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@H]41 2356690362 USJQCCQHFDAPOV-KBLZCHEFSA-N 974.388 7.399 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@H](C)[C@@H]54)[C@H]3CC[C@H]2C1 2356699468 UZOSLJNYISOLSY-KYESAOOWSA-N 549.546 5.837 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@@H]2C=CC[C@H]3O 2356775384 KTHGSNJOJUQWJF-FIJDRIOISA-N 936.295 5.862 50 1 KKGF OC1=C(Oc2ccc(Br)cc2Br)[C@H](Br)[C@H](Br)C(Br)=C1 2356786356 AOARUSLMRJGGMJ-GHMZBOCLSA-N 582.706 6.179 50 1 KKGF C[C@@H](NC(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)c1cccc2ccccc12 27628184 MXMYDUXQKSQGDF-CQSZACIVSA-N 515.791 6.256 50 1 KKGF CC(C)(C)c1cc(CN(Cc2ccccc2)C2=NC[C@H](CBr)S2)cc(C(C)(C)C)c1O 82052498 MZJYLNHSXKEZTF-FQEVSTJZSA-N 503.550 6.856 50 1 KKGF COc1cc(/C=N/NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)ccc1O 84604430 KHXFFQYVLYBREG-RPUDKEGQSA-N 628.299 7.553 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@H]5CNCCC#C[C@@]6(C=CC[C@H](C)C6)[C@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 85595564 KDMQORFDIMCBAO-SRCMPWMUSA-N 842.130 6.305 50 1 KKGF biogenic,in-vitro CCCCCCCC[C@@H](Cl)[C@@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O 169621837 FPZCWGAMOFPTED-UIZOCUMWSA-N 620.935 8.589 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(O)nc(N)nc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 254073895 AMSWKXJXTYPJKN-WWOUZDQESA-N 626.036 6.814 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 587325880 HJSJQTQHTRZKDW-WXGMZPBLSA-N 601.034 5.074 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587327713 HDNRJAXCKBXERS-RBBKRZOGSA-N 563.263 7.218 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335235 JMIOCUKCLJBLMN-PXJZQJOASA-N 627.837 6.861 50 1 KKGF Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccc(Cl)cc12 587371705 FQBLPOYLMQLZNI-WIOPSUGQSA-N 531.830 7.357 50 1 KKGF COc1cc(Cl)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1OC 587538005 MFCJOWOZDPUFTE-REWPJTCUSA-N 505.748 5.315 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@@H](C)[C@](OC(=O)c5ccco5)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23Cl)N1 587692056 JMJKGMMXVVUYMG-GUQYAMFNSA-N 735.518 7.631 50 1 KKGF CCC(=O)O[C@]1([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587715320 HJLPIDOVOYDSBA-QRFYOJAGSA-N 681.058 6.865 50 1 KKGF CCCCCCCCCCCCCC[C@]1(CBr)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962665214 LPENTYMNYJDYGT-XZWHSSHBSA-N 545.606 8.015 50 1 KKGF Cc1c([C@]2(CBr)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cnn1-c1ccccc1 963201861 SHQKIWKBJJUPRU-UTKZUKDTSA-N 528.756 5.090 50 1 KKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1cc(Br)cc(F)c1F 963281696 VCSAKXGJGPTUNS-QGZVFWFLSA-N 510.014 5.616 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1ccc(N)cc1)c1ccccc12 1772619943 QFUZLMDNMVVWCE-PSXMRANNSA-N 613.641 5.018 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@@H]1c1ccc(Br)cc1 1857655540 WZPZKYFXVZRHOF-GYXILFNTSA-N 625.560 6.734 50 1 KKGF C[C@@H](O)CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356300257 MOCDIBJPLVUFDB-KWDJSPMUSA-N 848.144 8.957 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](O)O[C@H](O)[C@@H]12 2356421319 GBYQIIZDUSTWMM-QIEWWMHVSA-N 608.904 8.156 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@@]4(O)C1=CC3=O 2356421766 SMNVVRZIRDYUBB-LSVLUYCDSA-N 910.293 8.123 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356488166 BEISPNOEMNORKO-OEDYDCLLSA-N 851.097 6.719 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](C[C@H]1CC(SCCCS)=CC(=O)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356524050 OAIXKVOWLJHSOF-DJBVYZKNSA-N 893.558 16.517 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCCBr)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356549579 ABRCNJSDUYUPRX-IZIKOTTDSA-N 706.759 10.122 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@@H]([C@@](C)(O)C1CCCC1)C3 2356726632 ZXDFOXHSRBYEJH-JFKLLVRGSA-N 699.797 5.365 50 1 KKGF CC[C@@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356743863 IEJKMUZABMNWPG-WJUHYZEPSA-N 528.059 9.048 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 2356769137 ZSTBKPQJMYKIGL-ZBQHDTNYSA-N 781.054 5.082 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)CCC=C(C)C 2356778351 SLNGACCBOMIVGF-RTMXLORFSA-N 514.747 6.014 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSSCNC9=C%10CC[C@@H]2[C@@]1(C%10=C3CN9)[C@H]4[C@@](O)([C@@H]6O)[C@@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]7C8=O 2356814050 BXCCCFHRDSTXSU-VRMPBYJESA-N 963.184 5.219 50 1 KKGF Cc1ncoc1-c1nnc(SCCCN2C[C@@H]3C[C@]3(c3ccc(S(F)(F)(F)(F)F)cc3)C2)n1C 58603371 HPGPGSLIDVUPKR-HRAATJIYSA-N 521.581 6.192 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)C[C@@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCCCC1)OO5 73312973 WESCDBGGMVOYJU-BHIUNGOFSA-N 634.807 6.585 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C\[C@H]1SSCc1cc2cnc1N 85596469 UGFXGOJISJSBRT-BPFDSASQSA-N 510.681 5.691 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@](C)(COC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 103194266 IZQLPDPLEOMDCI-FTCROOIWSA-N 556.647 5.133 50 1 KKGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 150589833 DADDXQFCDGBGQI-QWOOXDRHSA-N 760.903 9.493 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCN[C@H]3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4Cl)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312600 RUHZVVGGQUVOMS-MIRMJWEPSA-N 690.209 5.610 50 1 KKGF CC(C)(C)[Si](C)(C)OCC#C[C@@]1(O)CCCC[C@H]1CC(Sc1ccccc1)Sc1ccccc1 195503090 IXWHTVRXCNXBDR-OUTSHDOLSA-N 512.857 8.234 50 1 KKGF COc1cc([C@H]2[C@H](C(=O)O[Si](C)(C)C)[C@H](c3ccc(O[Si](C)(C)C)cc3)[C@H]2C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C 238781233 ZTJDMUHDJBNXSQ-VJLHXPKFSA-N 647.078 7.992 50 1 KKGF CCO[C@@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@H]1C(=O)[C@]3(C/C=C(/C)C=O)OC2(C)C)OC(C)(C)C=C4 257445351 IKFKEJSONUWRCD-QAMMXGMYSA-N 590.713 5.722 50 1 KKGF endogenous,in-man CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccccc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 299827693 HCFOKVOWCJVNPI-FDWPCWODSA-N 541.824 7.973 50 1 KKGF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)s1 587023146 LGRRNKXWIGKFDA-UHFFFAOYSA-N 521.331 7.453 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322186 GMMLOJSCJWUNDQ-XAGDYJCDSA-N 565.523 8.398 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1ccccc1 587687795 IAMRATOOSPEVRK-SHACYNPGSA-N 504.831 5.407 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)c2ccc(F)cc2)N1 587733619 RJVBUCVZRCWAGW-AMIRBURQSA-N 508.765 6.135 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N1[C@H](C(=O)CCl)Cc2ccccc2[C@]1(C)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 962635090 UATPMZCTJMPEDL-VJFFUEFQSA-N 791.342 5.489 50 1 KKGF COc1ccc2c(c1OC)[C@]1(CC(C)(C)CC3=C1[C@H](c1cccc4ccccc14)C(C#N)=C(C)N3)N(C(=O)c1ccccc1N)CC2 963158139 MXOISYNJKMGQIJ-IKCXEYKWSA-N 624.785 7.592 50 1 KKGF Cc1cccc2c1[C@]1(c3cc(Br)cc(F)c3C[C@H]1Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863254 RQHLNKRLAWDFMK-KQUPGTECSA-N 583.292 6.096 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(Cl)cc4Cl)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(Cl)cc4Cl)cc23)cc1 1857629199 RURVWQYWCVVROV-ILMCGJENSA-N 766.516 10.279 50 1 KKGF C=C(CCCC(C)(C)OC)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 1857656455 IPZCBADHHMDGJZ-DUCPNJRVSA-N 627.734 8.734 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356310742 HPQIQNHBGAQRGO-NWFGKDARSA-N 983.399 10.212 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356313641 PIHJOTODNOHHKJ-FMZXPZRQSA-N 927.199 6.179 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)C[C@H]([C@@](C)(O)CCCCO)O3)O1 2356367845 JCKXELRGRPODGL-VHENAKNISA-N 629.706 5.093 50 1 KKGF C=C(C)[C@@H](CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@]4(C)C(=O)O)OO 2356504068 DBWPILOLPUDSNJ-RXULWTOPSA-N 504.708 5.673 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(OC(C)=O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@]1(C)CC[C@@H](C(C)(C)OC(C)=O)O1 2356551017 XAJJUEHMJGKPKD-BTOPBPDGSA-N 731.762 6.896 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@H](C)CSS[C@@H]5C=C[C@@]3(C[C@H]5C4)[C@@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 2356557551 SGXIRDFTQZNOOT-HLWZDYSTSA-N 737.176 10.908 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)Oc3ccccc3)[C@@H]12 2356651990 KOWXKUDNHFDQSD-MITIVXBESA-N 558.759 7.644 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Br)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356673815 VQGNJNAIEBZJEK-AFWDCEBSSA-N 539.894 6.547 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356856029 RVUXUFINZLOLON-OJHHADDVSA-N 931.323 8.699 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@@H]4c4ccccc4O)n3)cc2)ccc1Cl 5579469 YJVKYMHMLRIJPY-PKTZIBPZSA-N 576.483 5.674 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(OC)cccc4o3)ccc2[nH]1 29234043 LMLRSAFZBCJFPU-OAHLLOKOSA-N 681.023 7.150 50 1 KKGF C=C(c1ccc(Oc2ccc(C(=C)[C@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 42807786 RZLJLJBEMWGLJD-RFNHCVEFSA-N 638.801 8.504 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc(Cl)c1)SS/C(=N/c1cccc(Cl)c1)OCCN1C(=O)c2ccccc2C1=O 49898892 VSTQLDVKDUHSIJ-YEQLPCBTSA-N 719.628 7.676 50 1 KKGF O=C(NN1C(=O)[C@H](Cl)[C@@H]1c1ccc(Cl)cc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1 51092449 PPQQKFLWAGERRF-UXHICEINSA-N 589.093 7.333 50 1 KKGF Cc1cc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)cc1Cl 103185691 CFLZLIJXWYUYLO-GOTSBHOMSA-N 587.257 6.299 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 253656606 UXWIVRBMVBCLQU-VTYTVZEUSA-N 552.752 6.969 50 1 KKGF Cc1cn([C@H]2C[C@H](NC(=O)c3c4ccccc4cc4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473136223 OBYSRCNYGVSQEQ-JIMJEQGWSA-N 559.739 5.672 50 1 KKGF Cc1cc(C)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 587190356 KMAPNKOELWVNBZ-CPWZCDFGSA-N 589.821 7.212 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 587328805 VTUOIPMCXKDNPF-IAPPQJPRSA-N 510.392 7.085 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCc1ccccc1 587329048 WUEPQOGRLPSYHK-LYVYPOQBSA-N 560.021 6.406 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(-c3ccc(C(=O)CBr)cc3)cc1)O2 587371402 DJGMOUFQLSENMB-RUZDIDTESA-N 543.255 6.077 50 1 KKGF CC[C@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]43C)c(OC(C)=O)c2c1 587638964 LENGTQZOPIBTFB-MCQFLBFPSA-N 584.584 7.681 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 587711272 JLLSDGGIQGVIDH-RBHXEPJQSA-N 517.105 6.058 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 587846737 REMSRLHHTLCBEB-RKNYENMMSA-N 546.849 5.577 50 1 KKGF CCCC[C@@H](CC)COc1cc(CBr)c(OC)cc1CC#Cc1cc(Cl)ccc1OC 587898774 PXGQDZMFSKRQBK-LJQANCHMSA-N 507.896 7.442 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2C12[C@@H](Br)CCCCCCCCC[C@@H]2Br 961781383 JSBYBILZPXGPIR-DZUOILHNSA-N 691.505 5.625 50 1 KKGF COc1cc2c(cc1OC)[C@](c1cccc(Br)c1)([C@@H](Cl)C(=O)c1cccc(Br)c1)N(C(=O)c1ccccc1N)CC2 963140074 MIYOPRAMUHFING-XDFJSJKPSA-N 698.839 7.243 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177582 OEMCMSAXFUNXGR-SGNHFWKYSA-N 774.371 7.848 50 1 KKGF N#Cc1cccc([C@@]2(C(Br)Br)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c1 963188478 JQQJKGAMYABMHS-ZCYQVOJMSA-N 521.256 6.041 50 1 KKGF C=C1C(=O)[C@@]23C(=O)O[C@H]4CCC(C)(C)[C@H]5[C@H](O)OC[C@@]45[C@@H]2CC[C@@H]1[C@H]3OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 1857651244 FIKVDLIAFTUWFP-KJGOAVCZSA-N 648.624 5.053 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5ccc(=O)oc5cc1O2)[C@H]43 2356302722 RPSXSSMBPWATBY-ZFKXBWAISA-N 669.825 5.359 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@@H]1CC[C@H]1SSC[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C[C@@H]12 2356352073 LVXQVHGFMPQXBZ-OXPYDYPCSA-N 707.911 7.552 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)CN[C@@H](C)Cc1ccccc1 2356358135 XLSXUXBCBPTWPP-HVEJGVNJSA-N 662.956 5.761 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c3c(c2)O[C@]2(CNC)C[C@@H](C[C@@H](O)OC)[C@H](CC#CO3)C2)N1 2356363690 LPSIYRVPKJUBGM-QBHPUQQDSA-N 833.130 7.559 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356367565 BIAPMEKKRSJFKJ-WYESGJBGSA-N 809.152 8.410 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@@H]1CC[C@@](c5cc(OCCC(C)C)c(O)c(OC)c5O)(O2)[C@@H](O)[C@H]31)C4 2356436116 BAJBXSGMUXLKLI-GUXXUQLDSA-N 708.939 8.648 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)[C@@]34CC[C@]5(OO3)C(C)(C)[C@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C 2356670477 PSECKJIFRYHDDK-DGQQMCKASA-N 516.719 5.824 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@@H]12 2356725559 OTKPVUYWKFTWPI-ZKBTZENLSA-N 692.978 9.298 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCCC6)c(=O)oc5cc1O2)[C@H]43 2356845227 OCPCUFHVVUVWDN-ZANGJWNTSA-N 929.215 5.751 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@H](O)[C@H]3C[C@@H](C=C[C@H]1C3)C2 2356845460 OFDGRCGXCJYOGD-SYMOLNPDSA-N 826.138 6.111 50 1 KKGF O=C(Oc1ccc2c(c1)[C@H]1CN(C(=O)C3CCCCC3)CC(=O)N1CC2)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 73197093 XTQPUXDKYWHXSX-VRHQNKDDSA-N 618.771 5.458 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](C/C=C\[C@H](O)[C@H](O)C2CCC(O)CC2)CC[C@@H]1CCN 85505424 ONEXWUZTIISBCH-PGTKHRHXSA-N 744.073 6.144 50 1 KKGF biogenic,in-vitro CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@@]2([n+]3cc[nH]c3)CCC3(CCCC3)C2)SSC1 85596428 IPNAKPVGGZPAJE-GWSJSASUSA-O 675.941 7.508 50 1 KKGF biogenic,in-vitro COc1cc2c(Oc3ccc(NC(=O)N/N=C(\C)c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283532 JXMFILYELFMUHL-GUBAARJWSA-N 585.680 6.975 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(I)cc1)SS/C(=N/c1ccc(I)cc1)OCCN1C(=O)c2ccccc2C1=O 150550949 PGTFNUUZEYIGEH-YEQLPCBTSA-N 902.530 7.578 50 1 KKGF Cc1cc(Nc2ccc(F)c(Br)c2)c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2n1 169352625 MPSSZTQQGQNYQR-UHFFFAOYSA-N 605.339 8.116 50 1 KKGF C=C1[C@@H](O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O 195186358 WZRQJZGGZQRDHU-DZLNSAKASA-N 728.952 5.832 50 1 KKGF COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@H]([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 195347322 RJVNIUWYTFHOAQ-GNHAKOFCSA-N 964.360 5.361 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 195518620 LWPHQIZHZGFZCD-RZCTXUQJSA-N 543.410 6.305 50 1 KKGF C=C(CO)OC(=O)[C@@H]1[C@H](OC(=O)/C(=C\CC/C(=C/CC/C(C)=C\COC(C)=O)COC(C)=O)CCC(=C)C(C)C)/C(C=O)=C/CC/C(C)=C/[C@@H]2OC(=O)C(=C)[C@@H]12 238738875 TZGZNDAKBYDMIJ-JYKCJCOUSA-N 778.936 7.005 50 1 KKGF COc1cc(Cl)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587673859 QXFJYSMUEVRDAR-APBUJDDRSA-N 507.625 5.432 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)c(CBr)c1 587895496 RELRTTSORHXHPV-UHFFFAOYSA-N 537.022 5.203 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)c2C)cc1 962703673 MQDKVRKKRCMQQY-RDGATRHJSA-N 538.925 5.120 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C)c1ccc(OCCCCl)c(OC)c1 962982615 BGVZULVDUFWCFH-HKBQPEDESA-N 586.512 6.295 50 1 KKGF Cc1c(F)cc([C@]2(CBr)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1I 963007979 COKIGUWIQIPODB-YIXXDRMTSA-N 681.727 6.664 50 1 KKGF CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2OC(CO)=C[C@]32c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963011578 HNPIBRYMPWRUQG-ACIJXJFPSA-N 677.157 6.092 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2cc(F)c(C)c(I)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939646 ZLMPQLAKYYDDKR-CUCNOBQVSA-N 816.597 6.514 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2cc(OC)c(OC)cc2Cl)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947560 OAJLFEGGEUZHKS-GFOVFOBKSA-N 753.181 6.133 50 1 KKGF CC(=O)OC[C@@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3[C@](C(=O)OCC(=O)N/N=C/c4ccc(C)cc4)(CC[C@@H](C)[C@@]3(C)O)CC[C@]21C 1857653663 FUYDGOPDFVXRJL-JKFPJUPKSA-N 760.969 6.415 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@@H](C)CSS[C@H]2C=Cc3c(ccnc3N2)C1 2356292098 KDYWWPSYEMEEIG-OJZHBUINSA-N 600.806 7.521 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SS[C@H]3C=Cc4c(ccnc4N3)C2)CCCC1 2356300218 MDSAGAGARKKCKK-ULECDHNTSA-N 670.897 8.010 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@]14CC[C@H]5c6c(ccc(c61)[C@H](N)NC4)[C@H](O)C#C[C@@H]([C@@H](O3)n1cc3[nH]cc5c3c1)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@@H]1O 2356350284 ZBRJNHVJFJKDJL-XQLHTUECSA-N 957.272 9.084 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@]1(C)CC[C@H](C(C)(C)O)O1 2356405946 IXKSFJQVWRDNPC-QTOBBASCSA-N 647.688 5.754 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc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c2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356820290 FJBOHLHWNLIVHH-NWFGKDARSA-N 985.415 9.881 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4C=CN=C4C3)[nH]c(=N)c1CSS2 2356849110 PSWGZFQYXTULML-GIZODDPQSA-N 804.951 5.916 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CCC[C@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(C)=C2OC)[C@@H]4C)c1 2356859414 SUKKQYLTMFHHLS-CMEZZWCYSA-N 694.016 8.601 50 1 KKGF C[C@H](Cc1ccccc1)[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@@H](O)CCCC1 2356865079 WJMYXCWKSBQHHE-VCILMZTQSA-N 840.165 6.851 50 1 KKGF O=C[C@]12OCSSC[C@H](C3=CCN=C3)[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)CNC[C@]1(O)[C@H](Oc1ccc3c(c1)OCC(=C1C=CC(O)=C[CH-]1)C3=O)O[C@H](C(=O)O)[C@@H]2O 2356869216 XJKBNUFXGHEQJS-NCIVDWRDSA-N 894.057 5.644 50 1 KKGF ClCCN(CCCl)c1ccc(Sc2ccc(Nc3c4ccccc4nc4ccccc34)cc2)cc1 27422787 YIPAHBDSEMUFJM-UHFFFAOYSA-N 518.513 8.567 50 1 KKGF Cc1ccc(Nc2c3ccccc3nc3ccccc23)cc1NC(=O)Oc1ccc(N(CCCl)CCCl)cc1 44430413 SHDZLUAHBCZVMK-UHFFFAOYSA-N 559.497 8.335 50 1 KKGF CCO/C=N/C1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 66113730 YGCCGGKGNHKQGF-HOKMHICDSA-N 545.448 5.052 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)c(F)c4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283547 GATNXYYRRCLYGL-HASSKWOGSA-N 607.633 6.863 50 1 KKGF CN(C)c1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 98082870 MUESLDZSZOZVGG-OVRSVKAISA-N 546.647 5.194 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 118927150 JJQGOUALJFARBW-NSXGOKPNSA-N 539.883 6.116 50 1 KKGF N#CC1=C(NC(=S)Nc2ccc(Cl)cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 150566407 PJCHBWBTOYOYGH-AREMUKBSSA-N 659.020 6.627 50 1 KKGF CNC(=O)NC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195435016 GRQGLCQNQIDBSF-ZYWWQZICSA-N 700.990 6.086 50 1 KKGF CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587056037 SDUKMOZTFXZYED-HNNXBMFYSA-N 577.757 7.672 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Sc4ccccc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190792 RFFWHBYGMOGGFC-OIRWHXDVSA-N 669.932 8.746 50 1 KKGF CCOC(=O)Nc1ccc(C(=O)NCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587227990 CUULVPQVWBALOJ-UHFFFAOYSA-N 543.312 6.481 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 587324668 SQPIGEVOFFZVAH-CIBNZWBHSA-N 524.419 7.474 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)CCl)cc21 587462001 VQSWOGZLEGOHCI-HHHXNRCGSA-N 510.373 5.629 50 1 KKGF O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541945 DUWSSDBSAKKUHI-LEAFIULHSA-N 565.365 6.037 50 1 KKGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587674656 YMNJUWBEWJBLML-YPMLDQLKSA-N 522.050 5.532 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(Br)ccc1CBr 587875535 XDTAUAONMMHEBI-UHFFFAOYSA-N 504.049 5.556 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](OC(=O)CCl)[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 653730887 XOISDXOOPFKPPH-RVKVHZCSSA-N 714.815 9.016 50 1 KKGF COc1ccc([C@@H](Cl)[C@@]2(c3ccc(OC)cc3)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962630828 SWKFSWFEEZCQGS-YUXUKGBOSA-N 580.077 6.377 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N1[C@H](C(=O)CCl)Cc2ccccc2[C@@]1(C)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 962635089 UATPMZCTJMPEDL-ALTKLUJCSA-N 791.342 5.489 50 1 KKGF COc1ccc2c(c1OC)[C@]1(CCC[C@@H]1CCBr)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668170 BRQICYNHCOBKKN-HOYKHHGWSA-N 526.393 6.202 50 1 KKGF CC(C)(C)n1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c2sc(-c3ccc(/C=C(\C#N)C(=O)O)s3)cc21 1857650296 NZSJOTQLSJVEMM-LKUDQCMESA-N 655.870 11.529 50 1 KKGF C=C1CC[C@@H]2[C@@](C)(C(=O)OCCCCCCBr)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 1857769716 OZLJAUBVDPYZKC-HOPGKFAZSA-N 655.670 8.900 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]43 2356296759 NUTXGWYFYFLIEG-AKZRKLNESA-N 727.905 5.284 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356300518 MWBMZWPJRURSPW-BHUGYYORSA-N 907.212 9.009 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@@]34CC[C@H]5C[C@H]6[C@@H]7C(=O)C[C@H](OC)[C@]7(O)[C@@]5(CC=C[C@H]3[C@@H]1C2)[C@]64C 2356316497 RCUQCPOVDGARAL-DBXYQPDXSA-N 623.925 6.318 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(NC(=N)N)CSS[C@@H]4C(O)O)O[C@@H]21 2356317025 KQNHDYCFVCTSBL-OSBXMPDJSA-N 837.030 5.106 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@H](CC=CCCC2CCCCC2)CC[C@H]1CCN 2356322201 FTTANVCMIDYINC-LHWMIZBLSA-N 666.050 9.739 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)CCCC1)CC[C@H](O)CC(=O)CC2 2356353245 KLZHYVAKSSLKLX-AHCBMXQVSA-N 817.087 5.228 50 1 KKGF CCCCC[C@@H]1[C@H]2CCNC(=N)NCSSCCCCCC[C@H](O)C[C@@H](OC(C)=O)CCc3cc(c(O)c(OC)c3)CN1C(=O)C2 2356353903 DGWUCJMCSIOUDO-ZVVXMFRTSA-N 680.978 6.121 50 1 KKGF C=C1C=CC=C2[C@H](CCC[C@@H]3C[C@]4([C@H](CCCO)C(=C(C)C=O)CC[C@]4(C)O)[C@H](O)[C@@H]23)OCC#CCC(C)=CCC1 2356361294 YDGMHVQMNWFQPU-PUCCQAIPSA-N 562.791 6.160 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@H](CCO)CO3)CCNCC1)[C@@H]1CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@](C)(O)CC1 2356366190 BSIAWCWEKPJUHQ-QQUAJESNSA-N 934.316 6.389 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](O)SSCNc6cc(ccn6)[C@@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356449252 GSHYKBCSZRREPP-WSIPUOPZSA-N 701.867 5.910 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 2356456682 NFMQEQRMKVOUOH-FBSHQOPDSA-N 903.173 7.280 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356608372 MUAYZLTUEIKUJN-IDSKLNCBSA-N 982.312 5.205 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@@H]4[C@H](C)[C@H](C)CC[C@]4(C(=O)O)CC[C@@]23C)C1(C)C 2356637008 DIXPDWXERFUNQD-RSZKWQDGSA-N 530.746 7.128 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 2356666325 VXLWVYDSJNFOIL-DKOCZDKJSA-N 861.099 6.789 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356779731 XGODFPSPLHCSCM-NNGCFSMOSA-N 926.293 6.433 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356811024 BDJUPQCTASTLFQ-RTJKLPSNSA-N 816.951 5.559 50 1 KKGF CCCCCc1cccc(C[C@@H]2C[C@@H]3[C@H](O)C[C@@H]4[C@H](CCC45CCCC5)CSSC[C@@H]4CC=C5OC(=C6OC(=O)C(CO)=C6OC)[C@H](C)[C@@H]5[C@@H](C2)N43)c1 2356835627 KTNDEVIYJUKVFU-CJVBQPKOSA-N 764.107 8.744 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)O[C@@H](C)c3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC 26499139 FHDDYKPUFWIFHH-RXVVDRJESA-N 659.095 7.548 50 1 KKGF O=C(Nc1cc2ccccc2cc1O)c1ccccc1SSc1ccccc1C(=O)Nc1cc2ccccc2cc1O 29468904 XNYMKGXYUZSUNB-UHFFFAOYSA-N 588.710 8.708 50 1 KKGF Cc1cc(OCc2c(-c3c(Cl)c[n+]([O-])cc3Cl)noc2[C@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622150 YQQXIRGBZGCVPG-HNNXBMFYSA-N 586.859 7.326 50 1 KKGF CC(=O)O[C@H]1[C@H]2C(C)=C3C[C@@H](C(C)C)C(=O)C[C@@H](C)[C@]31[C@]1(C)C3=C(C(=O)[C@H]21)[C@H](C)C[C@@]1(O)OOC(C)(C)C1=C3 95919369 NJKPJOXZONOTJC-MUSJEXBNSA-N 538.681 5.033 50 1 KKGF biogenic,in-vitro C[C@]12CCSSC[C@]34CC[C@H](CC#Cc5ccccc5C[C@H]3CNC(N)=N4)C3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 103525121 GICOMDMIKUTMSE-NQBFYLCVSA-N 633.924 5.122 50 1 KKGF biogenic,in-vitro CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1 169319717 QMMNPJKVOZYGDW-HIIQBPBGSA-N 634.777 6.162 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]2Oc3nc4c(c(=O)n3[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)CCCC4 195394829 RTGSMYDKYCDQHV-DYQZNNLLSA-N 508.808 5.193 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccc(C(C)(C)C)cc4)c4ccccc34)sc2c1 299864944 SGMBRYGNNBKJCV-ALQBTCKLSA-N 566.775 7.594 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299874041 ATVYEGCIKFTINA-XIPAMPGUSA-N 701.005 8.775 50 1 KKGF CCCCN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 473126435 TYEOZGHCEVAXDJ-SEGFRHJISA-N 544.780 6.971 50 1 KKGF Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 587323405 RAPUGGOLIHCQDN-RSXGOPAZSA-N 507.359 5.675 50 1 KKGF COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 587326487 LOWLZMWGBQHXNY-XTEPFMGCSA-N 508.929 5.849 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)[C@@H]1c1ccc(F)cc1 587329112 KOEGWALVBBRTJS-ISKFKSNPSA-N 517.866 5.624 50 1 KKGF O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626847 XUFPACXAHSSYDO-UHFFFAOYSA-N 556.300 7.916 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 587673344 MDZPMXHFHKDTLL-INNQIYONSA-N 579.392 7.223 50 1 KKGF CC(C)c1cc([C@@]2(C(F)(F)F)Nc3cc(-c4ccc(Cl)cc4)nn3C(N)=C2C#N)cc(C(C)C)c1N 621477613 DPMSVNKDXYIBNS-RUZDIDTESA-N 514.983 6.567 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccncc4)cc3F)ccnc2cc1OCCCN1CCCCC1 653810881 KQGNCHVXBDSTIN-XICOUIIWSA-N 572.641 5.980 50 1 KKGF CN(C(=O)NC(=O)c1c(F)cccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 653907623 OMWRHNHEJYAUFX-LODFRUGASA-N 579.429 5.209 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)[C@H](Br)C1 963030659 ZTOOGXWXSHHGNM-ZYHAUMRWSA-N 616.940 6.009 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2ccc(NC(C)=O)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937639 GYOIDXLFLVMHMJ-OBTNNAFISA-N 671.285 5.264 50 1 KKGF COc1ccc(-n2nncc2CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1 1772576713 OYRHOFPNJOYFLC-DIPNUNPCSA-N 628.652 5.445 50 1 KKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(C(F)(F)F)cc2)C1=O 1857771927 IENYIQXNQZNWNE-NRFANRHFSA-N 516.560 6.652 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)CSSCCC[C@@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356316858 UWFWTGBUZWMJMF-RZDMPUFOSA-N 668.830 6.496 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCC[C@]78CCC7(CCCC7)C8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356761319 XBMYRSJNWRODNL-UMQAGQGVSA-N 955.242 8.279 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H](C2(n3ccnc3)CCCC2)SSC1 2356814690 CKMFDVXSSYEDOU-MMFLPWJGSA-N 622.857 5.919 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@@H]1C)N43 2356822527 FWOFVYGIUUKRMA-OXSHIWPFSA-N 639.880 5.841 50 1 KKGF CC1=C(c2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49793261 MWBQXQOUVXIJMT-HAUNOENPSA-N 503.642 5.190 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Cl 84706584 XNHCPZQUHGODNF-QHCPKHFHSA-N 504.421 6.305 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCCCCCN=C=S)CC[C@]4(C)[C@H]3CC[C@@]21C 118933908 QGWGVBRWMAFYLJ-UJZMPGCOSA-N 527.903 10.076 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169615395 CRSJHIRCVZDTHB-AVRGQGHDSA-N 832.066 7.556 50 1 KKGF Cc1nc(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)c(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)c(CO)c1O 210391971 PAIFGPOHZQQCFF-UHFFFAOYSA-O 797.716 8.411 50 1 KKGF CC(=O)O[C@H](C/C=C(\C)CCC=C(C)C)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]1(C)O 238738970 UMUGWPGRUHYSOT-RSBZPSGXSA-N 516.763 7.183 50 1 KKGF CCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253991698 QDLRLYPWXMVZLU-DNYJQMNVSA-N 577.501 5.830 50 1 KKGF C=C(C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C[C@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 299812240 KOUAFSJVPQQUPD-PTCLAJACSA-N 588.782 6.824 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(S(F)(F)(F)(F)F)cc(Br)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O 586912646 WHKARNMPJWLTIF-HOOUMFPVSA-N 741.614 7.380 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 586972667 AAANTTQGBWXAHD-FQEVSTJZSA-N 546.513 5.609 50 1 KKGF Cc1c(NS(=O)(=O)c2ccc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 586973119 FNWTUUIVHOLZQL-QGZVFWFLSA-N 580.508 5.208 50 1 KKGF CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587046719 KOYDBNLTYPYVGO-XMMPIXPASA-N 638.486 9.915 50 1 KKGF COc1cc2c3c(c1)O[C@](CCl)([C@@]14OC(C)(C)O[C@@H]1C[C@H]1[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@]5(F)[C@@H](O)C[C@@]14C)[C@@H](C2)C3=O 587421775 AOYMAZWLUWKJCY-PXKDSZQFSA-N 615.138 5.515 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 587689699 UZHFABVKKPYNGD-SFDCACGMSA-N 530.696 7.319 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1C(=O)c1ccc(Cl)cc1 963022179 OSHIMRJSUBAMOI-NVQXNPDNSA-N 568.811 5.520 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCl)(c1ccc(F)c(F)c1)N(C(=O)c1ccccc1N)CC2 963147768 RYHAICFNJHIYOO-MHZLTWQESA-N 500.973 5.525 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1ccc(C(F)(F)F)c(I)c1 963199994 ZQULCLICSAUHIC-DNQXCXABSA-N 611.243 7.071 50 1 KKGF N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@]12c1ccccc1-c1nc3ccc([N+](=O)[O-])cc3nc12 1772625533 VTUGXCZRGXSART-UUWRZZSWSA-N 608.618 5.250 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356292529 RPHSRSJIAAZSJX-MIXABNQYSA-N 957.361 9.811 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCC3)c2)ccc(O)c1OC 2356292988 YBXOPLDFUVGQFH-YGQCMXHBSA-N 974.299 9.755 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356350906 MEDQKCURUCEKPJ-JXKWNJABSA-N 945.254 8.983 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)CN[C@@H](C)Cc1ccccc1 2356356017 JVDXWLWUNKJCTG-UJLOXOKESA-N 686.978 5.783 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC)c1O 2356364352 WGLJQQLCVWJDTQ-WOYJWRJPSA-N 610.794 7.210 50 1 KKGF CN[C@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 2356368164 IWJZAMRVRGKBAS-RUCSKDCOSA-N 718.938 7.680 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356377768 LFAITZBWSDYGTD-XCBSWJJTSA-N 857.186 5.883 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356488821 ASHGPPQUHHGQDO-GTZGNDNXSA-N 833.210 9.261 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H](CO)CCCO)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@H](NC1CCCCC1)CSSC2 2356621063 NZSVPOHVCYIHDN-RYCFQHDISA-N 735.965 7.737 50 1 KKGF COc1cc(O)c(C=C[C@H](C[C@H](CCc2ccc(O)cc2)OO)c2ccc(O)cc2)c(O)c1C(=O)C=Cc1ccc(O)cc1 2356693306 FQCSWJOXGNZGMF-IRPSRAIASA-N 598.648 6.797 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)C 2356715372 IOGKKHFUMFJYLW-GWBHJXFMSA-N 623.919 6.531 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3Cc4c(c(OC)cc5c4[C@H]1[C@@H](O)[C@H]2O5)-c1ccc(O)cc13 2356774580 AUCPKZIIIKBONE-SHXZGXOJSA-N 646.827 7.138 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1C1=CCN=C1 2356829757 JBRSDHOHTQLFBM-MNHUEJGNSA-N 801.960 5.365 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3C=C[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356837283 LIZDSFBTCHMWMG-ATKDQSSYSA-N 931.323 8.701 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)C2(CCCC2)SSC1 2356848032 PBWITEXPFLETLN-WHLCRQNOSA-N 542.767 5.697 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H]2C=C[C@@H](C[C@H](CC=C[C@H](O)[C@H](O)C3CCCCC3)[C@@H](Cc3cccc(CO)c3)CSSCc3ccccc3C2)[C@H]1CCN 2356852534 QQOHJBGWGOLTLS-LWDQRKIHSA-N 752.096 7.195 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCCBr)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103295747 JGXDFWXYEDYNAR-RBNDYAJOSA-N 593.687 7.448 50 1 KKGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 169309761 PTFYLKHZXWRLDG-HHHXNRCGSA-N 550.066 5.961 50 1 KKGF CCC(=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](OC(=O)[C@H](OC(=O)CCSSC)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C1C2(C)C 169364644 JHEIMVDSSGZHEN-GNLGCVIPSA-N 976.173 5.766 50 1 KKGF CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(C)/C=C/[C@H](NC(C)=O)[C@H](C)C(=O)N1C[C@H](O[Si](C(C)C)(C(C)C)C(C)C)C[C@@H]1C(=O)O 170050095 LPBZOVMAJWYNPJ-HQFMBDCXSA-N 642.954 6.770 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)/C(=N\NC(N)=O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299806066 ADVIYLOHAUAKPE-SBDYZLOJSA-N 928.130 5.041 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl 587329206 XMSZLYILGATFQQ-IXCJQBJRSA-N 544.837 7.739 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(C(Br)Br)C(Br)Br 587539731 XXOKQQOWVIKAAI-LLVKDONJSA-N 585.868 5.324 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)N1 587671363 RETKWEWULZLOPI-DVSNZQAGSA-N 582.149 7.266 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 587710157 FPLYTCCLDKLNEE-VVVCHXIZSA-N 549.122 6.799 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 587721422 VGPDNUGPPHLJSQ-WNWIJWBNSA-N 544.459 6.316 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]1(c1cccc2ccccc12)c1cn(CCCCCBr)c2ccccc12 961946009 ACGYRBSZUJZUJK-HRDMKUQISA-N 771.756 7.343 50 1 KKGF Cc1ccccc1[C@@]1(CCCCCCCl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962961345 WWIRRMFUMBGHHD-VXNMCKACSA-N 624.561 7.040 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 963140257 JLNPFSNBDAONHK-CPJSRVTESA-N 530.002 5.447 50 1 KKGF CCOC(=O)N1CC[C@@]2(c3cc(O)ccc3C[C@@H](C(=O)OC)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](Br)C1 963367139 MUWSTXWIEMPJCT-FISMMAAMSA-N 649.538 5.562 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2cc(C)n(CCc3ccc(OC)c(OC)c3)c2C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948677 WTVQOUXTUPQQGB-IZEJEAKISA-N 795.468 6.984 50 1 KKGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@]12C(=O)N(Cc1cnnn1-c1c(Cl)cc(Cl)cc1Cl)c1ccccc12 1772634607 LJMRTBINLWCIJR-YTTGMZPUSA-N 666.916 5.825 50 1 KKGF O=C(N/N=C/c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)c1c[nH]c2ccccc12 1857762624 ASPBCGLYBLDJAP-PNQUVVCRSA-N 533.813 5.920 50 1 KKGF CN[C@@H]1CSSC[C@](C)(O)CC[C@H]([C@H](C[C@H](OC(=O)[C@]23CCCC[C@@H]2CCC(=O)N3)C2([C@@H]3CC[C@@H]4c5c3ccc(O)c5OC[C@@H]4CCO)CCNCC2)OC(C)=O)CC[C@H]1O 2356349691 LTMFVICKYUJLDI-FMQNWBDPSA-N 890.219 5.458 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@H](CC)C1)C3 2356372838 NILYHGBHFCMNEC-XFYHFYOBSA-N 814.973 5.702 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356403493 LBFLZXMOORAOKX-SPGQTAJWSA-N 843.159 5.841 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356432846 OKKHNYIDVWNDBX-RIARJSPCSA-N 853.198 7.442 50 1 KKGF COC[C@@H](COC(C)=O)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCC(Cl)Cl 2356455819 JBEYLLUXESVNSE-SFTDATJTSA-N 500.935 6.281 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@@](C)(O)[C@]1(C)CCC=C(C)CCC=C(C)CCC=C(C)C 2356487691 IXRANGUGSVRSRI-KHZCBIAOSA-N 612.980 11.333 50 1 KKGF C=C(C=CC=C([C@@H]1C=C2CCC[C@H](C)[C@@H]2[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356685945 MFGBIISZLPLNBL-IRRJDGJWSA-N 909.262 7.377 50 1 KKGF CC(C=O)=C[C@@H]1OC(C)(C)O[C@H](C[C@@H](CCc2ccccc2)O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)[C@@]1(C)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1 2356700805 ZGPNFPJEJZDCQU-OEOGHKTASA-N 879.258 8.169 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1[C@@H]2C(=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]23C)[C@]2(O)[C@H]3CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]4CCC[C@H]1[C@]2(CO)[C@H]4C3 2356710442 DRJLYXLYPGPZMT-ADAOQMQCSA-N 924.328 6.525 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@@H]([C@@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356740995 ARJDEASPYJYLKN-WPDWJIIVSA-N 857.010 5.063 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@@H](C)O)SS[C@H]3C=CC4=C(NCC=C4C2)N3)CCCC1 2356821518 GBONOEHKFXWCAP-ORDUYJJGSA-N 730.009 7.202 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](C1(n3ccnc3)CCCCC1)C1=CC2=CN[C@H]1N 2356867846 WWTAHCFPXHQMID-OPPFEPAXSA-N 660.906 6.789 50 1 KKGF COc1ccc([C@@](C#N)(CCCCCN2Cc3cc(OC)c(OCCCl)cc3C2)Sc2ccc(C)cc2)cc1OC 26251965 YDTIRKUHMBTUAS-XIFFEERXSA-N 595.205 7.726 50 1 KKGF CNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145597 QDWCHUWEPONNSK-KPOXMGGZSA-N 504.715 5.952 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc(Cl)cc34)cc2)N1c1ccc(Br)cc1 49695428 MONNIKNIIQANRH-RPWUZVMVSA-N 545.216 6.483 50 1 KKGF O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)c1c[nH]c2ccccc12 73240481 AYLXSUPKGMPPSH-ULPWCQAASA-N 505.803 6.351 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@H]1CCCO)[C@@H](O)CC(=O)CC2 85597422 KZSLMFKMPSMDJZ-NCQDULDFSA-N 582.784 6.632 50 1 KKGF biogenic,in-vitro C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2ccccc2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 95604722 XHPJXMJJKZUELF-LAJDMKBHSA-N 579.778 6.294 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc(C(F)(F)F)c1)SS/C(=N/c1cccc(C(F)(F)F)c1)OCCN1C(=O)c2ccccc2C1=O 95615174 HSHSEIQYLBKXOO-WRFCJWBBSA-N 786.732 8.406 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101184379 JTXHATPLRKWRIJ-DSUPAJHVSA-N 525.436 5.580 50 1 KKGF C=C(C[C@@H]1O[C@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169358346 KOUAFSJVPQQUPD-SJLRAAHWSA-N 588.782 6.824 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586929927 DGVXDPJJIDMEPY-UHFFFAOYSA-N 538.608 6.908 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586973469 KGWNBZXXJMTZIH-AWEZNQCLSA-N 504.837 6.064 50 1 KKGF C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587328748 CFURLJNQYAUHKT-MZLICYQSSA-N 509.293 6.072 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OCc3ccccc3)c2)N1 587673932 RRNBJKQVPGYEMH-VOIUYBSRSA-N 519.252 6.340 50 1 KKGF CCC(=O)O[C@]1([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587712525 BCEHPRWPULOFTN-WPVGYLBVSA-N 681.058 6.865 50 1 KKGF Cc1[nH]c2ccccc2c1[C@]1(CBr)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961777167 BBFSLAQKUUURGA-MHZLTWQESA-N 510.476 6.266 50 1 KKGF BrCCCCCn1cc([C@]2(c3cccc4ccccc34)c3ccsc3CCN2Cc2ccco2)c2ccccc21 962704623 DBKCLACYOABTGB-DHUJRADRSA-N 609.633 9.364 50 1 KKGF CC(=O)NCCc1ccc([C@@]2([C@@H](C)Cl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962705833 HARKKRCKSBHDHA-KCILGPMOSA-N 715.241 6.353 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@H]3c3ccccc3OCCBr)c(O)c2C(=O)O1 962934904 KRJSPCMEVUWYGP-NBCYMOSYSA-N 614.876 5.162 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1ccnc(Nc2ccc(CN3CCN(C(=O)OC(C)(C)C)CC3)cc2)n1 1857613317 JRDTXRHGKMIAOI-VOTSOKGWSA-N 540.668 6.219 50 1 KKGF CS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)cc(S(F)(F)(F)(F)F)c1 1857619458 JZTVYUDUOQSWCQ-UHFFFAOYSA-N 566.773 5.670 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CC[C@H](CCc4ccccc4)C[C@@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356429745 HGCHFARSIULMOC-QRQRYGOFSA-N 968.295 9.788 50 1 KKGF CO[C@H]1[C@H]2C[C@H]3C(C)(C)O[C@@](CC=C(C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 2356445817 PSPHEZYRWQNMDW-BXDOFNGDSA-N 576.686 5.332 50 1 KKGF C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356593174 ZGBUZWCVDVGBIE-WDFKVRCCSA-N 569.953 7.100 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356714855 LQCLWOLRPPMCQL-RWAZYFHWSA-N 813.133 6.480 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@]5(CO)C=C[C@@H]6CCC[C@]67CN(C(=O)[C@@]357)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356778301 QZNUMYQAZCFTAJ-SNMSXYDZSA-N 972.320 7.038 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356829363 IXRSIWAVHKHRSU-QLQZXURTSA-N 879.247 7.448 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](C3=CCN=C3)[C@H](C[C@@H]3C=CC=C[C@H]3C)[C@@H](OC(C)=O)CC(=O)C2)cc(O)c1O 2356851412 QHIORLJJHDEXRT-CWTQHVKUSA-N 571.761 5.878 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)O/C(=N\C1CCCCC1)NC1CCCCC1 26404825 GTIWTJFGCLZEBR-NWYLXDCCSA-N 636.874 7.512 50 1 KKGF C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccccc2)[C@H]1SSc1nc2ccccc2s1 29313868 ZZUGEOYQRIBSPY-SKBCNUGXSA-N 510.706 6.575 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 43649845 UVSRXUYQBDAGKD-KXFQXVLOSA-N 555.951 6.584 50 1 KKGF O=C(NCCCCCCNc1ccc([N+](=O)[O-])c2nonc12)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12 49785126 RVVMGORJIPPDBD-UHFFFAOYSA-N 583.630 5.985 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@H]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)CCNC(N)=N3 85549344 ROHOJMVXUMLBPB-YOHYQBPOSA-N 613.934 5.787 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)c(O)c(OC)c1O 85567673 VWXOTNYUOSVPQR-XHGUTVSGSA-N 712.883 6.344 50 1 KKGF biogenic,in-vitro CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCCCCCCCBr)(CCCCCCCCCCBr)C3)c2ccccc21 98084399 UMMKQLRFFSTLTL-LHEWISCISA-N 759.668 10.040 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCSCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169303022 SONOEGJPRKBJAA-KCSCLBTISA-N 622.865 7.001 50 1 KKGF CCCCCC[C@@H](Cl)C[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621819 OWZXJAFOLNMCCO-XRXFAXGQSA-N 674.961 7.861 50 1 KKGF Cc1cn([C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CNC(=O)C[C@@]3(C)C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O 169998858 XKPREZASYVOYQM-UOVVZONSSA-N 835.204 6.374 50 1 KKGF Cc1cn([C@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171149 XJGABQAQKYATOA-JIMJEQGWSA-N 618.920 5.762 50 1 KKGF C[C@@H](NC(=O)OCc1ccccc1)[P@](=O)(O)O[C@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195297599 YGXABBHUDOTPJY-WOTGAKFBSA-N 710.801 6.231 50 1 KKGF O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)c3)cc2)c1 586881093 TXKGVTADIAUVJR-UHFFFAOYSA-N 683.405 9.078 50 1 KKGF FC(F)(F)c1cc(-c2ccccc2)nc2c(Br)c(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)nn12 587121247 ZFNGJJABOGREPB-UHFFFAOYSA-N 584.290 8.378 50 1 KKGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321093 IDZXXGJUJDWYRU-JYFHCDHNSA-N 508.343 6.144 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c1)(c1ccccc1F)O2 587382070 NCDCSFHUDSOQMK-HHHNJPMXSA-N 545.536 7.047 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587540000 ZFLBPSHZBFKTPW-OUTSHDOLSA-N 521.451 6.993 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543356 KJEAPGMMUKHEGV-QXIHQKPUSA-N 549.505 7.862 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@@H](C)[C@](OC(=O)c5ccco5)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23Cl)N1 587691080 BREUTBXLNPCBEQ-YQJWJSBJSA-N 735.518 7.631 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 587711238 IXFALWIMQBXSJX-HUTHGQBESA-N 560.021 6.542 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1ccc(I)c(C(F)(F)F)c1 961780646 WPPLKXGOHZRKHV-XMMPIXPASA-N 651.305 7.100 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](c2ccccc2)([C@@H](Cl)S(=O)(=O)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962400830 HFJQPUMPGQAXPZ-QRWXSKHGSA-N 665.167 6.624 50 1 KKGF Fc1c(I)cccc1[C@@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962953237 KZISUFJBQNORHJ-HXUWFJFHSA-N 584.189 5.739 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 963169286 FPHCIHQKEPBMSG-GBXCKJPGSA-N 599.787 6.083 50 1 KKGF Cc1cc(=O)oc2cc(OCCCCCn3cc(CNC(=O)CCCC[C@@H]4CCSS4)nn3)ccc12 1857748142 ILTTWMGZXYOROO-JOCHJYFZSA-N 530.716 5.273 50 1 KKGF Cc1cn([C@H]2C[C@H](C3(c4ccc(NC(=O)CCCCC(=O)NO)cc4)SCCCS3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 1857757478 KJTGZLBZRSTGCL-BXTSTYNKSA-N 692.977 5.910 50 1 KKGF COc1cc2c(cc1C(=O)NCc1ccc(OC(F)(F)F)cc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857771597 OSEKOFNYAMDDDV-WNCULLNHSA-N 512.528 5.403 50 1 KKGF CCC=CCC=CCC=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC=CCC=CCCCCC)CO[C@@H]1O[C@H](CO)[C@H](OO)[C@@H](O)[C@@H]1O 2356285040 ZOXXEOPHAYLXLA-XXQTVGDWSA-N 793.092 9.158 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H]1NCCC[C@H]1SSC2 2356291740 CVVMCWXOZAPTBD-VBNWUFAMSA-N 934.236 11.061 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356292704 VIDPGJPDNJGQAX-PCTFUREZSA-N 877.231 7.780 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356351134 QVHBIUAQTMYMAU-JQZZVKLGSA-N 861.085 6.328 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356352468 UVCJGEHMWARFSM-LXCYIEJASA-N 823.139 6.467 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356366742 PLDLFCJJLLMGTO-NWRCHDGQSA-N 748.115 5.497 50 1 KKGF CCCCCCNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@@]3(C=CC[C@@H](C)C3)C2)CC12CCCC2 2356447275 YZHUUIRZXDSPFA-RZDXTASGSA-N 783.289 12.550 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@@](C)(O)[C@]1(C)CCC=C(C)CCC=C(C)CCCC(C)C 2356529554 JZWIUMRLWZVVKJ-KHZCBIAOSA-N 614.996 11.413 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@]2(C)[C@@H](Br)CCC(=C)[C@@H]2Cc2cc(ccc2O)C(=O)O1 2356581011 HNTZDLDNNWJOBB-CAQABQBDSA-N 503.477 6.504 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356584851 UXVJLMNTFSDVTF-NYYMHJCWSA-N 756.182 8.174 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@H](NC[C@H](C)O)C2)Cc2cccc(c2)C1 2356768382 NQXCHVHSIRKMST-ODSAFYSUSA-N 998.400 6.393 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](OC(=O)c3ccccc3)O[C@@H](OC(=O)c3ccccc3)[C@H]12 2356773300 VXAJNBQWNZNVQK-UWMOFEOQSA-N 817.120 11.886 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSSC[C@@H](C)N[C@H]4CC[C@@H](c5cc(O)cc(c5)C[C@@H](C3)C2)c2ccccc24)C1 2356777385 USBLETYKXZAUDL-WIZVITQJSA-N 561.901 9.300 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@@]2(N3C=CNC3)CCC3(CCCC3)C2)SSC1 2356838479 MAHHRVBQLBLBSG-JEUAJGBFSA-N 702.987 8.275 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC5=C(CC[C@@H]6CC7(CCCC7)C[C@]56C[C@]5(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]5O)CN4)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356846977 OSJSKVRDAMGAEU-SBOHSZCRSA-N 871.087 5.158 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356852322 QPIZVYVYWMADDJ-DPNVQXPJSA-N 907.301 8.230 50 1 KKGF ClP1(Cl)=N[P@]2(Cl)=N[P@@](Oc3ccc4ccccc4c3)(=N1)OCCOCCOCCOCCO2 43491200 DBVTYNNDZOXJAV-SAIUNTKASA-N 576.678 7.884 50 1 KKGF CCOC(=O)c1c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)nnc(-c2ccccc2)c1-c1ccccc1 73331987 NTSPCRVUULMDBC-UHFFFAOYSA-N 579.640 7.797 50 1 KKGF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CCCSSCCCC(=O)N[C@H]1CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc31)CC2 150537074 RXXRGSGBOSQLHA-HEVIKAOCSA-N 949.248 9.085 50 1 KKGF COc1ccccc1CNCCCCCCN(C)CCSSCCN(C)CCCCCCNCc1ccccc1OC 169328726 GMFULNSAZPPSLH-UHFFFAOYSA-N 618.998 6.949 50 1 KKGF CC(C)=CCC/C(C)=C/C[C@]12C[C@@H]3C[C@@H]4C(C)(C)OO[C@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C 238754780 DCSFMYBSUBGTPD-ZITJWFOBSA-N 618.811 6.968 50 1 KKGF CC[Si](CC)(CC)O[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]12C)C3(C)C 254088377 LKHIBBPOJARUFY-QVOXZOOGSA-N 968.182 6.765 50 1 KKGF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586950701 ANUYSWHZFPNHRH-UHFFFAOYSA-N 518.327 6.091 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191285 SJZGKNCKRZZRKQ-YEXLVFSCSA-N 647.754 7.753 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)CC2=O 587466381 NKJHQCHUXGBRTP-XGCWNURASA-N 503.973 6.842 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccccc1N1C(=O)c2ccccc2C1=O 587538978 SZOBOKLCKDKLFN-FUFSCUOVSA-N 556.368 5.445 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 587683153 OAYBYMBGCJUQAV-XYZCENFISA-N 517.053 5.496 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(N=C=S)c(OC(F)(F)F)c1 587891773 OLNPDWJIIPFXIX-UHFFFAOYSA-N 538.172 6.099 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3C[C@@H](c3cccc(Br)c3)N(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587939631 JZCFHDRTZXGCOS-JOQQJUGMSA-N 591.543 5.846 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)c3ccsc3CCN2Cc2cccn2C)cc1OC 962395511 DGMASBVELIFPPX-IOWSJCHKSA-N 625.585 6.069 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@H](c2ccc(S(F)(F)(F)(F)F)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962470369 BVRWISBOHAEZAP-VSGBNLITSA-N 620.571 8.228 50 1 KKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@]2(CCl)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962646691 TXMZMMBARRQGIF-ACHIHNKUSA-N 540.063 6.363 50 1 KKGF COc1ccc([C@]2(CCCCCCCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1OC 962934865 KNXZLPVZXUQBFB-WHOQAUPSSA-N 670.586 6.749 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@H](c2cc(S(F)(F)(F)(F)F)ccc2OC)N1 963153575 AKAYPMRXJIZAOM-WEZIJMHWSA-N 681.727 8.722 50 1 KKGF CC[C@@H](Br)[C@@]1(c2ccccc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963182815 CXWOCOOUBXHUPH-RTKAOUNRSA-N 586.482 6.957 50 1 KKGF O=C(NCCc1ccccn1)c1cc([C@]2(c3cccc(C(F)(F)F)c3)c3cc(F)ccc3C[C@@H](C(=O)CCl)N2C(=O)OCc2ccccc2)c[nH]1 963577752 DLZQQWGREVRGEQ-DYKQPOOOSA-N 719.135 7.203 50 1 KKGF CCc1ccc([C@]2(CCBr)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)cc1 963780393 ZMMIQIMNVGSUBO-WJOKGBTCSA-N 575.503 6.044 50 1 KKGF C[C@@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857548776 UZGZKHBURJNPJF-QGZVFWFLSA-N 506.440 6.716 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H](O)[C@H]1CC=NNC(=O)c1ccncc1 1857588486 XXGFBIZAMMSSTF-GPJHCHHRSA-N 521.851 5.597 50 1 KKGF O=C(N/N=C/c1ccc(C(F)(F)F)cc1)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1 1857757031 OIOQZOCGSODLSQ-MPRHAZATSA-N 508.426 5.360 50 1 KKGF CCCCC[C@H](C)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356291720 CADSCMIZGOKBFB-RUYKHSLUSA-N 916.263 10.373 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSC2(CCCCC2)c2c(ccnc2N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 2356292564 TZBRZAQFWAYTJE-TYELKBESSA-N 730.909 6.769 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](Cc1ccccc1)c1cc2cnc1N 2356320090 FNVOANJAEGPMRV-SBSPAWRVSA-N 600.806 7.475 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@@H]3C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]3SSC1)[C@]1(C=CC[C@H](C)C1)C2 2356395896 WQDKZOIIBMSNIE-AEMJVVMRSA-N 685.100 9.962 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CC[C@]5(CCCC56CCCC6)C4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356437650 ANLZXHMNNZCQLF-OXDYXVPQSA-N 897.125 6.736 50 1 KKGF CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C=O 2356517596 OIJOLZHLZSBNSM-UHFFFAOYSA-N 546.839 11.669 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356530576 GBBAFSKMUHKXSA-DJUBLJSXSA-N 929.307 9.041 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@H](C)[C@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356608626 RHWGELGQTCGCNJ-KYSOOIGTSA-N 612.980 11.189 50 1 KKGF C=C(C=CC=C([C@@H]1C=C2CCC[C@H](C)[C@@H]2[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356685946 MFGBIISZLPLNBL-SGNOFVCOSA-N 909.262 7.377 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CC1=O)C[C@H](NC(=N)N)CSSC1(CCCCC[C@H](O)C[C@@H](OC(C)=O)CC2)CCCCC1 2356717815 FMEHBNXPXHKMHQ-ZIZDPRJYSA-N 678.962 5.655 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSS[C@H]3C=CC4=C(NCC=C4C2)N3)CCCC1 2356857711 SLWONZOGJKMRGQ-GVDKLTFUSA-N 656.914 7.906 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4ccc([N+](=O)[O-])cc43)cc2c1)c1cc2ccccc2o1 1859942 BTDMGFMUVHUHJK-KRWDZBQOSA-N 514.925 6.057 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O 49863688 WCGDYOPDDDUSJM-WGSAURBTSA-N 743.989 8.225 50 1 KKGF C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@H]5COC6(CCCC6)OO5)cc4)cc3c2)cc1)[C@H]1COC2(CCCC2)OO1 49899496 RVNMWQHQWJIJEE-XPSQVAKYSA-N 648.752 9.685 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCC2)c1O 85567833 WFRHKYHNVOJSRI-QHQYYTRFSA-N 664.886 8.523 50 1 KKGF biogenic,in-vitro COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907832 JOLMVGTWZDVSBW-WJOKGBTCSA-N 603.629 7.126 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 150347716 KGQWOUFHXGIFHH-BLVADDGRSA-N 887.174 9.058 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348655 OEZVCEWREBWGBB-RSYCGQICSA-N 993.434 11.402 50 1 KKGF biogenic,in-vitro C=CCO/N=C(\C[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616887 WGDOECSYODBCCA-FYWGGVCXSA-N 631.807 6.436 50 1 KKGF O=C(CC[C@@]1(CCOC(=O)N(CCCNc2ccnc3cc(Cl)ccc23)Cc2ccco2)OOC2(O1)C1CC3CC(C1)CC2C3)NCCN1CCOCC1 197912040 QYLJEUUKDRGYMG-NZBGNCKFSA-N 766.336 6.368 50 1 KKGF C/C(=C\C[C@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 253633295 IQZRDEYKPNMTKJ-AISVBTBHSA-N 501.151 8.588 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 587322150 LMJYNVLUXITKOV-DGPALRBDSA-N 624.300 7.425 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(Cl)cc1 587326632 MDZBIDMRGKXDKN-MFMCTBQISA-N 538.446 7.339 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2 587327481 PVAUNTSIZVWENW-DGPALRBDSA-N 533.983 6.203 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 587686077 SKRKWYJZNROEHS-RXBISOJRSA-N 533.268 6.598 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962642005 OXINQDICYNICLY-HRTXLCPASA-N 618.199 6.388 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](/C(C#N)=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])(C(C)(C)C)N1 963162069 MVQIQAPFBANGQX-ROEROONPSA-N 737.857 7.741 50 1 KKGF C[C@@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1857615671 XYDIDKYMGHSYHU-QGZVFWFLSA-N 506.440 6.716 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccccn4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccccn4)cc23)cc1 1857635586 MJWRVFLVWSHZRF-PFUSVQNESA-N 630.712 6.456 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(NC(=O)C(F)(F)F)OC(c3ccccn3)=C2[S@](=O)c2ccc(C)cc2)cc1 1857640629 OFWJLUQLWCADAZ-XYTTWMLMSA-N 523.536 5.403 50 1 KKGF CCC[C@@H]1[C@H]2C=C[C@@H]3C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356309859 URKTWDQXURMLIT-FBIIHJDJSA-N 854.151 9.618 50 1 KKGF CCCCCCCCCCCCc1c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc(CCCCC[C@H](Cl)CCCCCCCCC)c([C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356324018 HCBVATPLVALITE-UVSOLMOESA-N 801.543 8.067 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356364659 WDJLEGXOJNZBQI-JZLVEJRGSA-N 712.085 6.808 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@]3(CC1=O)[C@H](C=C[C@@H]3c1ccccc1)CNC(=N)NCSSCCCCCC[C@@H](O)C[C@@H](OC(C)=O)CC2 2356644895 WUPIXQMGSJIJLA-HEYNBNAKSA-N 724.990 6.122 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@H]([C@H]3CNC(=O)C34CCCCC4)C1)O2 2356811318 BMXSJWCMVCVKGF-ZEHIXZOISA-N 936.068 5.426 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356854574 RQGPUGCGQBAXPP-JCAXWTGKSA-N 873.151 6.187 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@](CCO)(CCc4ccccc4)C[C@H](NC[C@H](C)O)CC[C@H]3O)C=C12 2356857085 SGKMBNRXXKIBFE-NRLYZXPJSA-N 997.378 6.259 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@@H](O)C1 2356865646 VKVGNVGHMWVEFX-XIJJBPJVSA-N 845.100 6.117 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)CSSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356869262 XKEQBVLPYYNKFM-TULWOFOJSA-N 868.175 8.307 50 1 KKGF Cc1cccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4cccc(C)c4n3C)n(C)c12 14944341 YZZFXHMKRBCTSB-UHFFFAOYSA-N 590.774 8.591 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C(=O)NC(C)(C)C 28529227 NZWGLNHCOXHUDM-VJBWXMMDSA-N 628.699 5.205 50 1 KKGF O=C(SC[C@@H](CN1CCCCC1)SS[C@@H](CSC(=O)N1CCCC1)CN1CCCCC1)N1CCCC1 28872913 ICIOQIUUWDVZOY-DNQXCXABSA-N 574.948 5.975 50 1 KKGF C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 42807781 RZLJLJBEMWGLJD-DDTWMYLTSA-N 638.801 8.504 50 1 KKGF Cn1c(C[N+](C)(C)CCCCCCC(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O 73224679 OBPYGAPASOAGMQ-OAQYLSRUSA-N 560.184 5.060 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NCCCCO)c1cccc(CO)c1)CC(=O)CC2 85597380 GTNWTMPSXPSDCU-YSVKQWHRSA-N 705.939 7.822 50 1 KKGF biogenic,in-vitro O=C(N/N=C/c1ccc(CS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 95093516 CKWYFXYUZHBWET-HIWRWHBISA-N 576.980 5.976 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccc(Cl)c(Cl)c5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916447 PBZFXCZMTFRQKT-PPQMNATCSA-N 553.530 7.187 50 1 KKGF COc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@H](Cl)[C@@H]3c3ccccc3)c2C#N)cc1 96933459 UQRZYIFGDIIKCB-FTJBHMTQSA-N 505.965 5.867 50 1 KKGF COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 101284904 PNDVIXRDIGWBLN-DDWYFQSFSA-N 500.510 5.130 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccc(Cl)cc4)C(=O)N3c3ccccc3)s2)cc1 103179081 XUZJOXWWDHMDAJ-POXWXXNJSA-N 604.113 6.188 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@@H]5C[C@@H]6CC[C@@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@]7(CO)CSSC7(CCCC7)C5=C(c5cnc[cH-]5)C6)[C@@H]4[C@H]2O)O3)c1O 150342807 RXQVEIRCVHPQAV-JQOYDZLISA-N 1001.340 10.726 50 1 KKGF biogenic,in-vitro O=C(CBr)Nc1cccc(Cn2c3c(c4ccccc42)C[C@@]2(O)[C@@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)c1 161921153 HDUSMYFDADSZOJ-HDLUQUBHSA-N 640.578 5.428 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1 169319714 QMMNPJKVOZYGDW-CKROWEISSA-N 634.777 6.162 50 1 KKGF CC(C)(/C=C(\C#N)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCC1 224310601 CUHOEUVRFGXWRM-NELHNXLGSA-N 580.668 5.105 50 1 KKGF N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(F)(F)(F)(F)F)cc4[nH]2)cn3C2CC2)C1 587172017 CJYGGGDDWXVWOI-AWEZNQCLSA-N 557.564 6.994 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(CC3CCCC3)c2c1 587618093 MQUNMKMNAHTLSV-UHFFFAOYSA-N 522.421 5.513 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]2Br)N1 587687273 YSWPJSXJGBLFFM-ZPDWPVRKSA-N 506.254 5.158 50 1 KKGF COc1ccc2c(c1OC)[C@]1(c3cc(Br)ccc3OCC[C@@H]1Br)N(C)[C@H](C)C2 962632445 ROFOMMLULZAZEY-OEVHLYDDSA-N 511.254 5.132 50 1 KKGF N#CC1=COc2ccc(F)cc2[C@]12c1ccccc1C[C@@H](C(=O)O)N2C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962713974 QDBZPJOIKKRJQH-NBWQQBAWSA-N 650.657 5.986 50 1 KKGF O=CC1=COc2c(Br)cc(Br)cc2[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962950347 DOSMAKQAZBVJFK-QFIPXVFZSA-N 573.203 5.601 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)c(C)n1-c1ccc(F)cc1 962976656 XQQGKSMJUOMQJW-UGIJPOGMSA-N 651.518 6.328 50 1 KKGF CC[C@@H](Br)[C@@]1(c2ccc(OC)cc2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039420 NXUJQLJXJIWKHX-USIGKAAMSA-N 662.527 7.651 50 1 KKGF COC(C)(C)[C@]1(CCl)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963063982 AOXVJIYDCRXQNM-GOJCVTOHSA-N 706.128 7.502 50 1 KKGF Cc1cc(F)c([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1Br 963177067 JAQDFTYLVOUFEC-FUHWJXTLSA-N 559.579 5.806 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@]2(CCC[C@@H](Cl)C2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963221142 WMHCWLVUMZOQEJ-NNSIXKAWSA-N 608.003 5.846 50 1 KKGF CCC(=O)OC[C@@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963841203 JKPPBUNMOPCCPZ-WRCUHHNOSA-N 800.361 6.918 50 1 KKGF O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C1CCC2(CC1)OCC1(OO2)C2CC3CC(C2)CC1C3 1772655052 AYLLCQPKGAMNHX-UHFFFAOYSA-N 575.109 7.025 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@@H]2CCN2C(=O)[C@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911571038 GZIINNYQRQLFNL-HOFKKMOUSA-N 643.551 5.102 50 1 KKGF COC[C@@H]1C[C@@H]2CCCC[C@]23NCOc2c4cc(c5c2O[C@H](O)[C@@H](C5)[C@@H]2CSSC[C@H](C(C)C)NC(=N)N[C@H]2C#C[C@]32C=C[C@H]1C2)CC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC4 2356352054 LPABLCBGNPEADL-GGKKKMIFSA-N 953.281 6.682 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356366765 PZSYRLFABHLUHX-DDSFYHKWSA-N 799.106 5.680 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)CCCC(C)C 2356373293 XMLPKUYKVUHGKU-XKENXYKYSA-N 600.881 6.793 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 2356524100 QEWHVEXDBGVRDF-SSTNLXKXSA-N 977.388 10.619 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCC2(O)CCCC2)C(=C(C)C=O)CC[C@@]3(C)O)COCC#CCC(C)=CCC1 2356617316 XPHWCOOGJHTUGU-JSKKBBOYSA-N 576.818 6.694 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356767391 CJRVOXTWIMJWGH-XGRCZEEKSA-N 801.122 6.334 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356779604 BOGRIYYVYGFVCR-YSGFWYHJSA-N 963.354 8.853 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356780426 WIKMESULTZTLLA-CEBGXLOCSA-N 845.086 6.623 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCC(C)C)[C@@H]3C 2356838089 LPYBAHHQHXNAFO-YKSJSWKOSA-N 871.176 12.753 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356864445 VUWOFLIPMKRMHJ-JYICNXGJSA-N 733.953 5.328 50 1 KKGF CCCC1=C(C=O)c2cc3[nH]c(c(C)c4nc(c5c6[nH]c(cc1n2)c(CC)c6C(=O)C5)[C@H](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)[C@H]4C)c(C)c3[C@@H](C)O 2356864551 VWEOHHNEPODWTK-JJWFPJAMSA-N 813.096 11.826 50 1 KKGF O=C(Nc1ccccc1)OCCN=C1c2ccccc2[C@H](Br)[C@H](Br)c2ccccc21 1643745 RCAMYZDOHPSKDC-SZPZYZBQSA-N 528.244 6.658 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2ccccc2[nH]1 64448776 OMTPLEBPJORDFA-LJQANCHMSA-N 535.003 6.743 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)[CH-]C2=[N+](C(N)=C1C#N)C(C)(C)Cc1ccccc12 82053137 BVTSBLWFHPETBR-HXUWFJFHSA-N 505.424 5.142 50 1 KKGF CC(=O)N[C@@H](Cc1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95549867 YIRPLGKUOHBEPW-TTZULZMZSA-N 790.251 6.825 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)O[C@@H]5CC[C@]6(C)C[C@H]7C=C[C@@]6(OO7)C5(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 253635073 ROBCWKFPUJQMPN-FDQYMQRFSA-N 636.958 10.774 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCc6ccc(Cl)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299855088 DAYDRUFHWQJWFN-HBHILWERSA-N 607.319 10.041 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)c(Cl)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191755 XDBBGSGWZAPYCV-BBURBPSPSA-N 631.645 7.297 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2oc3ccccc3c2CBr)[C@@H]1c1ccc(F)cc1 587323749 SWMRSBDWNSPTEF-OFSOJUDTSA-N 543.388 7.475 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587353987 ONFUSGIRDQFQEQ-OCSIFMRMSA-N 995.188 7.859 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 587370175 VCCVZDJIYCVPMD-AHKZPQOWSA-N 574.468 5.355 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587497849 DNGKWKJKFYKZMP-MUUNZHRXSA-N 568.305 7.066 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587542569 HMDSYZSZEFTEIH-JTSJOTPCSA-N 509.989 7.130 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 587674231 VFHOJNNUWCLRKJ-CMJOXMDJSA-N 505.225 6.553 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)(C)C)cc1 587685757 AZCASCQUWRXHKB-JWIGPWBQSA-N 517.914 7.310 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(I)cc2)N1 587736773 BVAGTCSJOIIWNJ-BMLIUANNSA-N 539.024 5.366 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2C(C)(C)[C@]12OC(C)=O 587810112 JVYBOZAXOJHPAG-UQNCILBASA-N 828.901 8.722 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3c(N)cccc3Br)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587937789 YBBLBZBQSSUXOQ-NFWXQWSASA-N 535.435 5.114 50 1 KKGF Nc1cccc(-c2csc(NC(=O)CCCCCC[C@@]3(C(F)(F)F)OOC4(O3)C3CC5CC(C3)CC4C5)n2)c1 621476434 WGIKDOWEZWYBTO-ZKXXRGDJSA-N 565.658 7.061 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1nnc(-c3ccc(F)cc3)o1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677638 KGDXNMXIWXYPQN-MHZLTWQESA-N 575.946 6.093 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@H](c2cccc(OCCBr)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963077368 OPXWKDANESCQEC-AMAPPZPBSA-N 784.596 8.506 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(C)c1 963841704 QUOVBDQELFUTFM-JIPXPUAJSA-N 516.476 6.195 50 1 KKGF COc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857542912 WCNFOBSNVPXNBH-DQQHMPIDSA-N 618.045 6.209 50 1 KKGF COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc(-c4cc(C(=O)NCC(C)(C)SSC)n(C)c4)cc3)n1)N=C[C@@H]1Cc3ccccc3CN1C2=O 1857569860 LTKJEPQKLCEJLH-YTTGMZPUSA-N 849.052 7.287 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(O)cc4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(O)cc4)cc23)cc1 1857638183 QXWRXHYUARTAJR-PFUSVQNESA-N 660.734 7.077 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCC(Br)Br)CCCC[C@@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356323505 LVFPFIWBRYXLNE-QYRGFZRDSA-N 785.655 10.843 50 1 KKGF C[C@@]12CCSSC[C@@H](NC(=N)N)CCCC3=C4C[C@H]1CC1(CCCC1)[C@@H](CCCO)[C@]42CC3=O 2356416838 HJFBPUVERHAAJZ-LPHMDEMASA-N 505.794 5.428 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@@]21O 2356452875 GQUKCFKFISLYBC-YHBZVDAFSA-N 911.372 10.991 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC2(CCCC2)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356517526 MPPAHWJMGKOSKV-HKSSWNHUSA-N 892.330 8.506 50 1 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CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CCC[C@@H](CC45CCCC5)[C@H]3OCCO)C=C12 2356815089 CORPGZLJPORTQS-JTFABZQDSA-N 928.315 7.912 50 1 KKGF Brc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(Br)c2)c1 29395598 LYYFTEIEWPZSCY-UHFFFAOYSA-N 688.684 7.772 50 1 KKGF Nc1cc(NC(=O)c2cc3cc(NC(=O)Nc4ccc5oc(C(=O)Nc6cc(N)c7ccccc7c6CCCl)cc5c4)ccc3o2)c(CCCl)c2ccccc12 95542858 SFFQWEWAFLGTFK-UHFFFAOYSA-N 785.688 10.361 50 1 KKGF Cn1nc(C(=O)N2C[C@@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)nn1C 95551364 QNMREJCPAUCHMX-BGYRXZFFSA-N 797.616 6.886 50 1 KKGF CCOP(=O)(OCC)O/N=C(/C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 95582534 BCYUMRBAEBELHJ-GJHRPRHMSA-N 727.829 7.431 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](CCC(=O)NCCCN3CCN(CCCNC(=O)CC[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@H]([C@H]4C)[C@]75OO6)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169362833 JVHGAAKZMCRLRS-SLEZLAKCSA-N 845.132 5.678 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)[C@H]2CCCNC2)C1 195820398 CCSNJCXSNTXCPB-ARXZOCQRSA-N 517.915 7.786 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 211012197 XGIYERXTGLEFID-OABJIQBASA-N 522.584 5.463 50 1 KKGF CN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1cccnc1 586929471 VNPWOOIHQXGOSZ-UHFFFAOYSA-N 507.304 5.199 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 587324669 SQPIGEVOFFZVAH-GBXPKZPQSA-N 524.419 7.474 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587332989 UKDMAPHDBCLZGW-UNMCSNQZSA-N 513.256 6.339 50 1 KKGF N#C[C@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371362 CEHORWOFERZUGL-DBTWGZIYSA-N 504.970 6.299 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@@H](Br)[C@H](Br)c1ccccc1)CC2=O 587453078 PAVCZYBANPQBLD-DMTNHVFBSA-N 544.283 7.105 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587543050 ILJAHDOJOBBJHL-SUYBVONHSA-N 576.001 5.469 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626929 ZHUGVUJUQWCDPS-UTJGPSDHSA-N 734.105 8.115 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587687418 GOZQBYVDUXIOCG-JYCPIGSLSA-N 527.821 5.525 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)([C@@H](NC(=O)OC(C)(C)C)C(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678104 PCCDCJGDXVFSTO-CUBQBAPOSA-N 585.063 6.405 50 1 KKGF CC[C@@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962683565 ZFAWVTGMQOLAPF-QGRQJHSQSA-N 638.126 8.476 50 1 KKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)[C@@]1(CCl)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963063026 HYECXPNOUKVHPC-CQWWOBEDSA-N 594.149 5.539 50 1 KKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963137923 HKNOWIXSMPQJJY-NIYFSFCBSA-N 537.078 5.103 50 1 KKGF CS/C(Nc1ccccc1Cl)=C(/C#N)[C@]1(C(C)(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963155184 YAKQRCPNAFKFJP-HOUIHAIESA-N 563.145 6.495 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCCl)(c2cccc(Cl)c2)N1 963166137 CLXIRPAEPHXZQP-IRLDBZIGSA-N 508.795 7.044 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2c(F)ccc(F)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963350725 DAENWBJSDYLBNX-QPQHGXMVSA-N 652.463 6.797 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cn([C@@H]4C[C@@H](OC(=O)c5ccc(Cl)cc5)[C@@H](COC(=O)c5ccc(Cl)cc5)O4)nn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772602460 GWWFUNUACAYKKD-JNVHLYOBSA-N 755.652 6.149 50 1 KKGF C[C@](O)(CS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857550569 VUZANPQKPQZCET-INIZCTEOSA-N 558.425 5.434 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccccc4Sc4cc(/C=N/NC(=O)c5ccc([N+](=O)[O-])cc5)ccc43)nn2)cc1 1857553036 MOUAXPHRISJRLH-ATZGPIRCSA-N 586.637 5.673 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 2356350788 JSSZVIFQCKYAGS-ABVBQFCGSA-N 953.322 8.669 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@@H](O)C1 2356356463 KEPOMKOOYCZBRL-WDIUENOFSA-N 885.121 7.054 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H]3C 2356372183 ZQGOYEJYAYJFTL-RSEPTCTRSA-N 885.203 13.143 50 1 KKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@H]2[C@@H]1[C@H](O)O[C@H]2O 2356402319 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KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@H]41 2356760401 HEHHAVLIZIEJLP-BHRMFVIOSA-N 894.258 5.840 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356873664 YHQLBLRPISMXOM-YJICWRDESA-N 905.285 8.310 50 1 KKGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3cccc(C(=O)OC(C)(C)C)c3)nc3ccccc3c2=O)c1 1891236 MERJLAQHWDSPMY-UHFFFAOYSA-N 529.597 5.277 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)O/C(=N\C1CCCCC1)NC1CCCCC1 26404819 GTIWTJFGCLZEBR-OGWKWTLLSA-N 636.874 7.512 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)ON[C@@H](C(=O)OC)c1ccccc1 38151788 YNPRNMQEBKCOCS-ZUQVNNICSA-N 593.717 5.320 50 1 KKGF CC(C)(C)c1cc(C(OCCl)(C(F)(F)F)C(F)(F)F)c2c(c1)C(C(F)(F)F)(C(F)(F)F)OC21c2ccccc2C(=O)c2ccccc21 82190335 CBZRRAAINBQVKG-UHFFFAOYSA-N 704.935 9.703 50 1 KKGF COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@]23[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 102934122 VNDOCQLTUJVVEX-QZMXWJFASA-N 551.455 6.294 50 1 KKGF CCNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 150532501 LFYVETSPEPPKAU-AVKKOIFZSA-N 661.877 6.794 50 1 KKGF CCCCCCC[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621814 XCQVIBNYJYFVME-PLACYPQZSA-N 674.961 7.861 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4ccccc4)cc3O)sc2c1 299830150 NGMZWYLDWLFRAR-LQKURTRISA-N 503.628 5.578 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1Cc1c2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586985418 WKCKESZWOLJUGV-XFOQAPIMSA-N 568.511 7.071 50 1 KKGF Cc1ccc2c3c(c4c(nc13)[C@@](c1ccccc1Cl)(N(C)C(=O)CCl)CCC4)-c1ccccc1C2=O 586993386 LGFZAHYCNVXGNC-SSEXGKCCSA-N 515.440 6.685 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1ccccc1 587687793 IAMRATOOSPEVRK-JBEBIEQOSA-N 504.831 5.407 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587691582 GRJJNEXOXRLOMA-HXGQCFAVSA-N 594.994 6.571 50 1 KKGF COc1cc(/C=C(\C#N)[C@@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O 587740132 WRNXXRRROAWGGZ-DJTPXPRUSA-N 651.270 5.703 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 587840911 OFYBPVWKFHPTPA-NYHFZMIOSA-N 511.844 5.033 50 1 KKGF Cc1c(N/C=C(\C#N)[C@]2(C(C)(C)C)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(=O)n(-c2ccccc2)n1C 962567151 CLKUCAQEALQYPQ-FOGOEGDBSA-N 708.819 6.901 50 1 KKGF Cc1nc(-c2ccc(Cl)cc2)sc1[C@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962992432 GJODDZVCFYGGEL-DEOSSOPVSA-N 530.944 6.925 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCCl)(c2cccc(Cl)c2)N1 963166142 CLXIRPAEPHXZQP-UNMCSNQZSA-N 508.795 7.044 50 1 KKGF CC(C)[C@]1([C@@H](C)Br)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963584069 SDOVMEKWUZDXGT-CPJLOUKISA-N 548.403 5.993 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](c2cn(CCCCCCl)c3ccccc23)(C2C(C)(C)C2(C)C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947405 NMSQKHKVHVQFHD-KOMXJSQZSA-N 805.551 9.113 50 1 KKGF COc1ccc(C(=O)OCC2=C(C)C[C@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](Cl)[C@]6(O)[C@@H](OC(=O)c7ccc(OC)cc7)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)OC2=O)cc1 1857640334 ITEBZUAFVZTVNP-KKZROVCHSA-N 775.335 7.300 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@@H](O)SS[C@H]3C=Cc4c(ccnc4N3)C2)CCCC1 2356300215 MDSAGAGARKKCKK-PNRVDZPWSA-N 670.897 8.010 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](c2cccc(O)c2)(CCN3)SSC1 2356321297 DXBPTWWYRMKIGV-PPGPUPIYSA-N 604.794 6.894 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@@H](O)SSCNc3cc(ccn3)C2)CCCC1 2356321942 IARVCFBHGRIWTA-JKLBOIQBSA-N 672.913 8.004 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@@H](C(C)=O)N1)C[C@H]3CO)CC(=O)CC2 2356364309 VJAMOHXCKQSTJE-KVZQCVMLSA-N 955.249 8.859 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O 2356369153 VTWHRWSAKJHWQU-FMIYLMBLSA-N 712.927 7.694 50 1 KKGF CC=C(C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C(C=O)[C@]3(O)CC(=O)C(C)=C[C@H]3C(=O)O1)O2 2356457034 ASQRSYUZMDSTKU-MFBCSHAHSA-N 566.735 5.879 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)c1O 2356459805 ZQGRECLODSEVMW-UPYCSGAKSA-N 768.991 7.760 50 1 KKGF C[C@@H]1CC=C[C@]2(CCC[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@H](C)CSSC[C@@H](C4)C[C@H]32)C1 2356545132 MUPJYKHZWITIRP-RVLGGMSRSA-N 561.901 8.814 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356767393 CJRVOXTWIMJWGH-ZPJHETKHSA-N 801.122 6.334 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC2(CCCC2)[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356778132 NFIGMEDCCCXBAV-ZJMAKVHZSA-N 575.793 7.097 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC6=CC(=CCN6)CC3=C4C(=O)O5)[C@H]21 2356812299 BTGXWGDPMCUEKP-GMYRGYBSSA-N 651.895 5.723 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356859284 SSYIRYVDDDPCOP-GUEKLVKTSA-N 924.063 5.952 50 1 KKGF N[C@H](CCCCCNCCSSCCNCCCCC[C@@H](N)Cc1ccccc1)Cc1ccccc1 28221477 RUCFDPLZBRZEPR-LOYHVIPDSA-N 530.892 5.808 50 1 KKGF N#Cc1c2c(c(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)n3c1nc1ccccc13)CCCC2 73257904 GJWJNMAQFUCYBQ-UHFFFAOYSA-N 522.592 7.047 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@H](C)Br)[nH]c3cc21 587008187 JKYHXAHYMXMBRJ-LBPRGKRZSA-N 563.360 5.437 50 1 KKGF O=C(c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587133630 WVGIBCSHHRBICR-UHFFFAOYSA-N 514.072 7.660 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc([C@@H](N)N=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191739 WQNJGMJJHRVDTM-VCIHPFKISA-N 619.807 6.319 50 1 KKGF COc1ccc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 587322839 PFBPIHTWJUWQBD-BDYUSTAISA-N 507.355 6.342 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)C)cc1 587327058 OFTFLPUBRNFZFI-SMCANUKXSA-N 518.028 7.555 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587370177 VCCVZDJIYCVPMD-VPUSJEBWSA-N 574.468 5.355 50 1 KKGF COc1cc2c3c(c1)O[C@]1(CC[C@H]4[C@@H]5C[C@@H](Br)C6=CC(=O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587411982 GNXXXGSRNZANBF-TVOGFPFHSA-N 525.483 6.087 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)CC2=O 587473122 XKLASORGXHQPQN-AREMUKBSSA-N 575.830 6.281 50 1 KKGF COc1cc(Cl)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587538003 MFCJOWOZDPUFTE-OFNKIYASSA-N 505.748 5.315 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1C(F)(F)F 587550144 SWXFQZKIGIYQDM-RXVVDRJESA-N 547.245 6.682 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1OC 587614499 SSBUGZITUHDUKV-WPKWZQBGSA-N 549.004 5.779 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Cl)cc3)c(NC(=O)CCl)c2c1 587617636 HZUYMHZVCZVKDS-UHFFFAOYSA-N 549.392 5.383 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br 587676968 JJMKEEQGULFFGU-LFPIHBKWSA-N 554.729 7.083 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685491 QXFFCUSFIJAHNP-MKRCSTMGSA-N 716.092 5.741 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 587737871 HXMSHRZEHCGHNO-SHACYNPGSA-N 613.696 6.441 50 1 KKGF COc1ccc(C)cc1[C@]1(CBr)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962569089 JMUBJMKXBQBQMI-CPBHLAHYSA-N 613.508 6.298 50 1 KKGF CC1=C(C#N)[C@H](c2cccc3ccccc23)C2=C(CC(C)(C)C[C@]23c2ccccc2C[C@@]2(C4CCC4)C(=O)NC(=O)N32)N1 962657858 DJOXJSAMOICXFJ-USXOCHBLSA-N 568.721 6.941 50 1 KKGF COc1ccc([C@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963007799 JXJPEVVYIZNDTH-WNCULLNHSA-N 553.840 5.620 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@]3(CBr)c4ccccc4CCN3[C@@H](C#N)c3ccccc3)ccc21 963188905 BJSKHIMTLQIIKS-BHDXBOSCSA-N 527.550 7.797 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963352181 KHFAWLLIOFCVEQ-DITALETJSA-N 667.383 7.686 50 1 KKGF Cc1cc([C@]2(CCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)c(C)n1[C@@H](C)c1ccccc1 963927799 FQPYRIFRVOLKRW-GFJKYASSSA-N 589.571 7.339 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)c(F)c1 1772636085 MNADUIAWZUPDHD-QFIPXVFZSA-N 516.413 5.810 50 1 KKGF Cc1cn([C@H]2C[C@H](C3(c4ccc(NC(=O)CCCCCC(=O)NO)cc4)SCCCS3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 1857642259 WNFFFEKXYPWSOF-IWVFXYMLSA-N 707.004 6.300 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)C5CCCC5)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356291953 IHACHMRSQJEUHX-ASTXMSBCSA-N 944.273 9.488 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356298452 DLAXYVHSVZVOSS-CCSMAIPOSA-N 901.253 7.936 50 1 KKGF C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1C(=O)OCc1cn([Si](C)(C)C)c2ccccc12 2356514803 NDLCJCPSGOOLEC-QHYGTQQRSA-N 698.243 7.852 50 1 KKGF CCC[C@H](O)C[C@H](O)CC(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1 2356819205 FACUTDSVHHLLCT-AYFHEKCDSA-N 837.077 5.801 50 1 KKGF CC(C)CCc1cccc2c1CSSC[C@H]1C[C@@H](CC[C@@H]2CCc2ccccc2)CN2C[C@H]3[C@H](CC[C@@H]4[C@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]43C)[C@@](C)(O)[C@@H]12 2356834213 KMFQARLVEHMHSY-WSMYYKIPSA-N 800.272 10.565 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356842128 MLCZGCIXXMITDD-HYVTYAEBSA-N 740.044 8.788 50 1 KKGF C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 42876049 FYFWICJSTUAUII-RNPORBBMSA-N 534.649 7.520 50 1 KKGF Cc1c(-c2ccc(O)cc2)n(CCCCCCNCCOC(=O)NCCCc2ccc(N(CCCl)CCCl)cc2)c2ccc(O)cc12 82185192 YVOFRAFRSOZULZ-UHFFFAOYSA-N 683.721 7.821 50 1 KKGF COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(Br)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84726184 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CO[C@@H](C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/c3coc([C@@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O 169687719 VIFOVINDEXWVQN-QQFRVBINSA-N 878.010 5.383 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cc(F)cc(F)c3)cc2F)c2c(N)ncnc21 211015345 DIRBFYTXWMNIIA-GPGPQOAVSA-N 559.552 5.136 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299811870 BVRIJFRDMCDGFG-LWOXSKKMSA-N 937.049 5.464 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056440 OKNLWNSMEOTKBR-MOSHPQCFSA-N 540.479 8.618 50 1 KKGF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2F)c1 587143737 YASZDAAJPYEIAW-UHFFFAOYSA-N 557.741 9.118 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(N3CCCC3=O)c2)[C@H]1c1ccc(F)cc1 587319846 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COc1cc2c(Oc3ccc(/C=N/NC(=O)Nc4ccc(F)cc4Br)cc3F)ccnc2cc1OCCCN1CCCCC1 653698638 RFSFERVTXDLRGK-HASSKWOGSA-N 668.539 7.487 50 1 KKGF NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C/c3c(Cl)c4ccccc4oc3=O)cc2-c2ccc(Cl)c(Cl)c2)cc1 653887107 NBKHZGMXDNWOLL-IURWMYGYSA-N 616.870 5.017 50 1 KKGF CCCC(=O)Nc1ccc([C@]2([C@H](C)Cl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963011769 OJGVXSWGMCLOIH-LVAJYGNLSA-N 578.496 6.583 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CCCCCCl)(c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963029476 BQGLPQMQLBCEAN-RRTCDKLQSA-N 634.094 8.407 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085475 PQHMJFWYULGDCV-VWMWMKPNSA-N 799.567 8.190 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CBr)([C@@H]2Cc3ccccc32)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229008 GOZCXXWPNRPJQB-IASKONRUSA-N 700.498 6.399 50 1 KKGF COOSNc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772622154 NSZVYGFLRUZXHN-QFIPXVFZSA-N 561.504 6.216 50 1 KKGF C[C@@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857567765 MOFLGJCXHZXNFE-MRXNPFEDSA-N 526.427 6.753 50 1 KKGF CC(=O)O[C@H]1[C@H](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)OCc4ccccc4)CC[C@]23C)C1(C)C 1857569395 GGFGBKKQYNQKOP-PPLZVYRVSA-N 894.254 13.399 50 1 KKGF COc1ccc(/C=C(\C#N)C(=O)OCCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)cc1 1857609360 BDMSCJOMWDJTKZ-VMOUULMMSA-N 707.908 9.095 50 1 KKGF CC[C@H](C)c1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc2c1OC(N)=C(C#N)[C@H]2c1c(C)[nH]c2ccccc12 1857631272 JIXBZPNCHZYBGU-FALLQRSHSA-N 577.681 7.130 50 1 KKGF Cc1ccc(C(=O)/C=C/c2cc3c(c(C(C)(C)C)c2)OC(N)=C(C#N)[C@@H]3c2c(C)[nH]c3ccccc23)cc1 1857632070 CESIYOZNJXZEGP-IRFZZDGWSA-N 501.630 7.197 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@@H]2C=CC[C@H]3O 2356349760 NPPOSRYXHOGZBE-RVMREZHKSA-N 990.387 7.033 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c3c(c2)O[C@]2(CNC)C[C@@H](C[C@H](O)OC)[C@H](CC#CO3)C2)N1 2356351162 REJWRJNKTWEXOI-RPWPQGPNSA-N 779.038 6.289 50 1 KKGF C[C@@]1(C2CCCC2)CC[C@H](O)[C@]23[C@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CCCC[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@@]3(O)CCC1=CC(=O)OC1 2356532567 PFQMFAVWFGNZIH-QCONNEOVSA-N 859.248 9.794 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@](O)(CO)[C@H](O)C5 2356617183 TZWJZVHRKFAOMT-BLTWKXOZSA-N 884.211 5.579 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356859819 TYURCRUTCSFJIZ-RCRWLELGSA-N 907.301 8.448 50 1 KKGF CCCC[C@@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NNc2ccccc2)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 27759483 CXIQAHVMKNGONG-WTNLLYQRSA-N 589.758 6.896 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C(=O)NCCc1ccccn1 28563027 KYUQMTCUNIFCIQ-QKDODKLFSA-N 677.731 5.044 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCC3CC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145576 OELALEVVTMRZNB-XRCOBOKTSA-N 545.764 7.159 50 1 KKGF CCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145599 LSUFEPKBPIBSRR-WVQYGYSHSA-N 519.726 6.769 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2F)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40447661 DJOHYAWNSIKRQL-FBNDGMMSSA-N 508.493 5.460 50 1 KKGF O=C(c1ccc(C[P+](c2ccco2)(c2ccco2)c2ccco2)cc1)c1ccc(C[P+](c2ccco2)(c2ccco2)c2ccco2)cc1 49762958 UJIPETZZJJASNW-UHFFFAOYSA-N 672.610 7.464 50 1 KKGF C/N=C1\NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOCNC(=N)NC)C3)c2)N1 85596924 AQTYFCNUFCNIEV-DXWFVWJASA-N 798.089 5.778 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H]([C@@H]3CC[C@@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O 150342930 ONWXQAXZVDMDPV-NYSBKPNASA-N 652.831 7.304 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@H]4O[C@@]5(C)CC[C@H]6[C@@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169615397 CRSJHIRCVZDTHB-FBGQRZQJSA-N 832.066 7.556 50 1 KKGF CC(C)c1cc(-c2nnc(SSc3nnc(-c4cc(C(C)C)c(O)cc4O)n3-c3ccc(N(C)C)cc3)n2-c2ccc(N(C)C)cc2)c(O)cc1O 169706525 KTOGXEMHZZTRDG-UHFFFAOYSA-N 738.940 8.183 50 1 KKGF CCOC(=O)/C=C1\[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 170137234 MCGJTYKTHYDJNH-UKVLDELUSA-N 735.950 8.880 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053863 APWOUQVAJQOYMA-VGOFMYFVSA-N 543.298 8.379 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058531 ZSMQNENFHOVMSD-AUWJEWJLSA-N 612.249 9.761 50 1 KKGF NNC(=O)c1ccc2nc([C@@H](N)Cc3cc(I)c(Oc4cc(I)c(O)c(I)c4)c(I)c3)[nH]c2c1 587179803 AFOSOFCMTFVJTO-INIZCTEOSA-N 907.026 5.325 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190423 KWBJVPGDJSFAHE-XRXBHGIDSA-N 748.887 8.866 50 1 KKGF CN(C(=O)c1ccccc1N)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587198433 KDEDAJUEPAMGMB-UHFFFAOYSA-N 547.347 7.509 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)CCC2 587325635 GJVHAWRFKSQODY-SMCANUKXSA-N 516.012 6.921 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)[C@@H]1c1ccc(F)cc1 587326826 DDLCHPOXYUNLDF-YKSBVNFPSA-N 559.281 6.383 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587616167 IYPKSXCEZZPYPH-MWHZXZQGSA-N 979.170 7.322 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@]2(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N1 587718666 OILASBBHYKLUDY-XYSLTRCFSA-N 624.994 5.904 50 1 KKGF CN(C(=O)NC(=O)c1c(Cl)cccc1Cl)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 653893478 WRVPLGJUSDQTBE-LODFRUGASA-N 612.339 6.238 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCCCCCl)(c1ccccc1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626151 HYIMZKNLCDWXPU-SVEHJYQDSA-N 514.062 6.487 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCCCl)(c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677851 MSXBYAVTOFASHS-MUUNZHRXSA-N 532.002 7.074 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CBr)(c2c(C(F)(F)F)ccc(Br)c2F)N1 962926907 ODNBLULANRGKQD-WMZHIEFXSA-N 619.203 6.342 50 1 KKGF C[C@H](Cl)[C@]1(c2ccc3c(c2)NC(=O)CO3)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963013031 HXNGSAMNTGMKTC-LKSXBVPHSA-N 564.425 5.175 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2cc(OC)ccc2OC)N1C(C)=O 963328693 HIIYCQXDIAPSHH-RLYYAAKVSA-N 812.692 5.146 50 1 KKGF CCCCCc1ccc([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1 963419528 TZTIDYCTLXLOAF-DHIFEGFHSA-N 559.504 6.691 50 1 KKGF O=C(CCl)Nc1ccc(-n2nc(OCc3ccc(Cl)cc3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857752213 FLFIYQAQYTXYEH-UHFFFAOYSA-N 522.219 6.651 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356321533 WZOIYUSZMPIIOC-UPTHHLMRSA-N 834.117 9.713 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Br)Br)CCCC[C@@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356323024 FVWPSKYVDXFOTC-UELQJCDLSA-N 828.680 11.360 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](CCNC)Cc2cccc(c2)C1 2356349783 NZLFICIELOCPBF-MZADYMEHSA-N 742.058 5.154 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356352630 XPVJWCGATZLZPL-NVHOWGKESA-N 733.047 5.950 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356488820 ASHGPPQUHHGQDO-FYVXPPSISA-N 833.210 9.261 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CCC[C@@H]2CN(CCCOC)CC[C@@H]21)C3 2356494279 XSXWSLZPQXMXJY-WXAUZPCRSA-N 768.904 5.561 50 1 KKGF CC[C@@H](C(C)C)[C@H](Br)[C@H](Br)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356494868 VIGXEFRKXGTJRB-AOTWWALWSA-N 774.355 10.313 50 1 KKGF COc1cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)[C@H](C)CCSS5)c(O)c(OC)c1O 2356520804 ZJFUJIIHPOPGED-ORLSEQJOSA-N 738.921 6.518 50 1 KKGF CNC[C@@H]1SS[C@@H]2CC[C@H]3[C@H](O[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)C[C@H]3OC(C)=O)[C@H]2Cc2ccc(O)c(c2)O[C@H]2CCC[C@@]1(NC(=N)NC)C2 2356637944 LPEYOLMLNGPALC-ZYZSQKPASA-N 822.063 6.006 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@](O)(CO)C[C@@]35C 2356684470 QOVYDENHWCPDCB-ROEAUBLSSA-N 962.325 6.916 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H](CCCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1ccccc1 2356737277 HYSDATPFPIBJQV-PNISXEEYSA-N 581.892 6.522 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)[C@H](CCCO)SS[C@H]5O 2356768582 SSKAJJVJHDMLDA-GNDMUJOESA-N 928.264 5.676 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356772678 GGMVKMHEZFTCCA-XQYRJWOGSA-N 925.305 7.444 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OCC=C(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(CC)=C1C=O 2356874435 YWCUTLCAOFDLEK-MHVXLYNFSA-N 855.133 11.493 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@@H]4c4ccccc4)n3)cc2)ccc1Cl 1660655 VPDPUQBQBNFYPF-PKTZIBPZSA-N 560.484 5.968 50 1 KKGF CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3cc(F)ccc3C(F)(F)F)c(OC)c2)s1 13584648 WOVGPIQBIVGZJW-RIYZIHGNSA-N 506.481 5.392 50 1 KKGF O=C(SC[C@@H](CN1CCCCC1)SS[C@@H](CSC(=O)N1CCCCC1)CN1CCCCC1)N1CCCCC1 28873061 VNGXRBMBGVPKDL-CLJLJLNGSA-N 603.002 6.755 50 1 KKGF CCCCC[C@@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29241540 GRSIDFUYMUXYLY-IXCJQBJRSA-N 655.575 5.679 50 1 KKGF COc1ccc(P(CCP(c2ccc(OC)cc2)c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 43242400 FYZAOKYLSUCICI-UHFFFAOYSA-N 518.530 5.287 50 1 KKGF CCCOc1c(C(=O)N/N=C(\C)c2ccccc2)sc(C(=O)N/N=C(\C)c2ccccc2)c1OCCC 45286412 PIGKNPLZKQSOEO-CZYCKNNWSA-N 520.655 5.634 50 1 KKGF CSCC/C=N/NC(=O)c1cnc2c(C(F)(F)F)cccc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C 49762062 IFUDJZCLEZRHPM-NBODJNLYSA-N 577.698 5.773 50 1 KKGF C[C@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@H]1[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@H](C)CSSC[C@@H](C3)C[C@@H]12 85543478 IZXMNCMTZQGOLO-IOXOOVIMSA-N 615.993 9.984 50 1 KKGF biogenic,in-vitro Cc1ccc(S(=O)(=O)Oc2cccc3c2C(=O)c2c(OS(=O)(=O)c4ccc(C)cc4)cc(CCl)cc2C3=O)cc1 95588805 WEJZCGDMNTZSMM-UHFFFAOYSA-N 597.066 5.353 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)Nc4ccccc4)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCC(C(=O)Nc2ccccc2)CC1)OO3 95606904 ASQDPWRWIJWAFR-CBKGSJONSA-N 815.017 8.915 50 1 KKGF CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O 104375164 CSWYLIDLQDJVCQ-USCLCIEBSA-N 568.795 8.133 50 1 KKGF endogenous,in-man FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cnn4cc(Br)cnc34)nc2c1 587008812 OVAWLBTVRHKQLN-UHFFFAOYSA-N 519.091 6.455 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587327864 HZKAPIPDZXFCAH-IRLDBZIGSA-N 511.265 6.079 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587842350 DYEHBCIVXLTLLL-JAMKYWPSSA-N 578.076 7.715 50 1 KKGF COC(=O)c1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)ccc1C(Br)Br 587875538 XHBPDGUNPJFIHI-UHFFFAOYSA-N 548.058 5.279 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3NCc3ccccc3Br)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587940485 LDZHMQCDGJMLRG-CMYNHCFWSA-N 549.462 5.287 50 1 KKGF N#CC1=C(N)OC2=C(OC(CO)=C[C@@]23NCCc2cc(-c4ccccc4)ccc23)[C@H]1c1ccccc1C(F)(F)F 962669846 PHMGPUQFNJZDKS-YZNIXAGQSA-N 543.545 5.339 50 1 KKGF Cc1cc([C@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1[C@H](C)c1ccccc1 963042382 SAHDJXGOTATPOL-IAGDWSIFSA-N 681.179 8.735 50 1 KKGF COc1ccc2c(c1OC)[C@]1(c3ccccc3-c3c(C(=O)Cl)cccc31)N(C(=O)c1ccccc1N)CC2 963158717 SGPUUZKQZIHRKO-WJOKGBTCSA-N 525.004 5.636 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCCCl)(c2cccc(Cl)c2)N1 963166134 CLXIRPAEPHXZQP-IFMALSPDSA-N 508.795 7.044 50 1 KKGF Cc1cc([C@@]2(CCCCCCCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1F 963180317 PWCVBNNFWCNKGY-FYYLOGMGSA-N 506.367 6.838 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](C)([C@@H](Cl)c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368761 UFCCCZHHWGLWKO-JHFJJOSTSA-N 586.059 7.075 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3cc(-c4ccccc4)no3)nc(Cl)nc21 963913326 BJJCJVUBRAVCJC-HHHXNRCGSA-N 579.886 6.122 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1ccc(Br)cc1)c1ccccc12 1772623947 HZLCZLOTDVRSBP-BHVANESWSA-N 677.522 6.199 50 1 KKGF CCC[Si](CCC)(CCC)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857541541 XFODWGLAFVWOBO-HGFINNGFSA-N 624.935 7.761 50 1 KKGF COc1cc2nc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857577292 HIASLUFSQDXKBA-ONEGZZNKSA-N 634.467 7.406 50 1 KKGF CC1=C(COC(=O)c2ccoc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 1857638831 DJSTYSQUGMGGML-IOFRUXFOSA-N 601.136 5.012 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(Cc2cccc3ccccc23)s1 1911573728 HOEICEBPMHIGSZ-CJLVFECKSA-N 597.634 5.504 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356299559 DMLLRSNOEOFTQQ-JYOAHJLBSA-N 871.135 7.201 50 1 KKGF C=C1[C@H]2[C@H](OC(C)=O)[C@@H]3CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)CC[C@H]1O[Si](CC)(CC)CC)C3(C)C 2356335657 CLIVETVICYKYSS-DGIMMVMQSA-N 590.830 6.090 50 1 KKGF CO[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 2356347494 IKOVCQNLJNHSBD-KINXCBNHSA-N 555.098 6.116 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2OC)C(=C2CCC(=O)[C@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356360208 AARMQUTXOOJJAW-QHLZCSOZSA-N 641.761 6.900 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N[C@@H](C)O 2356360777 NXBNVXWYSWMPRL-LOUUNQPJSA-N 925.360 6.608 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356587788 XFNVIBDEQIUJBN-OIERWLNJSA-N 855.092 5.790 50 1 KKGF CC[C@@H]1CCC[C@]12CC[C@H](Oc1cc3c(cc1O)[C@H](CCO)SSC[C@H](O)[C@H](Cc1cc(OC)c(O)c(OCO)c1)[C@@H](O)C[C@@H](OCO)CC3)C2 2356722514 JPQDWGWTKYSXHG-ZGJIIZNMSA-N 752.989 5.620 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356737328 JZFDJBWAQDPEDG-FSYJQVGHSA-N 701.005 6.077 50 1 KKGF N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 72123742 HJXMETNOXWDEDF-HNNDCAHOSA-N 667.487 5.922 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CCC2(CCCC2)CC1)OO5 72133456 LUVUXDSSKJOESU-LAPAELILSA-N 630.863 8.213 50 1 KKGF C=C1CC[C@@H](Br)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 83924492 PVEFIGXLPBGZAX-UHANTFQWSA-N 560.312 6.146 50 1 KKGF in-vitro CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@H]3CCl 95549407 HFBVJCULYWSBPU-RPWUZVMVSA-N 763.719 8.698 50 1 KKGF COc1ccc(Br)c(C(=O)N/N=C/C2=C(Cl)c3ccccc3[C@H](c3ccc(Cl)c(Cl)c3)C2)c1 103186200 VUHBHRSOCRWHAL-TYIUYSMOSA-N 564.694 7.666 50 1 KKGF COc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NNC(=O)C[C@H](NNC(=O)OCc2ccccc2)C(F)(F)F)cc1OC 150613779 QTOZFWPPTDNEDD-DITALETJSA-N 749.743 5.053 50 1 KKGF C=CCO/N=C(/C[C@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 169616814 WGDOECSYODBCCA-VBMOSGHISA-N 631.807 6.436 50 1 KKGF CCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928788 PWBCODFOAWWVMF-LUYSREMJSA-N 709.406 8.079 50 1 KKGF O=C(NNC(=S)Nc1ccccc1C(F)(F)F)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828156 SEOXFCIXCSXMAJ-UHFFFAOYSA-N 524.612 6.353 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587324168 WRPCYHAJYJXIII-XTEPFMGCSA-N 503.367 6.848 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329792 FNVGAZNFAKVWLB-HTQODNKTSA-N 639.135 6.216 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2CC[C@H]4[C@@H]5C[C@H]6OC(C)(C)O[C@@]6(C(=O)CCl)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]2(C)C3)c1 587360069 KPLUIHBXRANIHN-JXNCXMJPSA-N 686.220 8.210 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538023 MHEXPIYLGLICEV-FTGGIWGWSA-N 581.547 6.870 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587671871 VLEWYWXIIPXCHP-ODKGLIOUSA-N 545.290 6.629 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)c1ccccc1C[C@]1(C2CCC2)C(=O)NC(=O)N13 962661137 HPWBKZVQAJCERS-NAPBDKHASA-N 731.978 8.352 50 1 KKGF C=C(OCCC[Si](OC)(OC)OC)[C@]1(C)c2ccccc2CCN1C(=O)COc1cc(Cl)c(C=O)cc1OCC 962991935 VNPKJUUAZNIEKN-GDLZYMKVSA-N 592.161 5.029 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963083191 NXXKJGVTMHDFLJ-JPCITIMXSA-N 955.138 9.962 50 1 KKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1cccc(Cl)c1Cl 1772630887 ZJWCOXXUFDUYGY-WXMAUWIXSA-N 533.778 6.637 50 1 KKGF Cn1c(CO[P@](=O)(N(CCBr)Cc2cn(Cc3ccccc3)nn2)N(CCBr)Cc2nnn(Cc3ccccc3)c2I)cnc1[N+](=O)[O-] 1857536786 PCBOHUWHRFUUGF-QSCHNALKSA-N 917.342 5.631 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356299412 CHRYVEKIFGNIEW-QLQZXURTSA-N 877.231 7.779 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356299453 DKSBHUBZUKWLRK-NBLRUBJOSA-N 931.323 8.949 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@H]43 2356312938 NVMJHAZFNIUGRB-HIOTUYBVSA-N 913.172 5.789 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CC[C@@H]5C=C[C@@H]6CCCC7=C1[C@@H](C4=C5[C@@H]76)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356364521 XUEYWSMJYNTHHT-RSHQPOQJSA-N 884.266 6.991 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OCCCO)C3)c2)N1 2356687708 YJBBPGALPKXWRV-QZVZERRYSA-N 841.150 7.047 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356744002 UNUFSKHKVCUJRA-VXWAZRQLSA-N 808.079 9.322 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356776612 WCEQYINLAOXKLZ-GBGLXDAJSA-N 885.240 7.213 50 1 KKGF COc1nc2sc3c(c2c(=O)n1CCCSSCCCn1c(OC)nc2sc4c(c2c1=O)CCCC4)CCCC3 5847089 PHZDCXWFIUPVKG-UHFFFAOYSA-N 618.872 5.866 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CF 40639310 FEJQUBQBRRMWJR-XVBJYKFMSA-N 523.428 5.846 50 1 KKGF O=C1N[C@@H]2[C@H](CCCCC(=O)OC(=O)CCCCCNOc3ccc(C4=C(c5ccccc5)C(=O)N5CCC[C@H]5C4)cc3)SC[C@@H]2N1 49792005 STXVUDAOSZLOIB-IAEGCXITSA-N 660.837 5.232 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@@H]3CCl 95551346 OIJQNOUPXVOYPM-LOSJGSFVSA-N 777.746 9.088 50 1 KKGF CC(=O)N[C@@H](Cc1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95612964 YIRPLGKUOHBEPW-JVLWVATNSA-N 790.251 6.825 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5C=C[C@]1(O)C[C@@](/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]3CC(=O)[c-]1ccnc1CC#C2)(C4)[C@@H]5CCC[C@H](O)CO 150349108 RITCISHWNPNSCC-FRQUAXLRSA-N 929.194 7.242 50 1 KKGF biogenic,in-vitro O=C(Cn1nc(Cc2ccc(Cl)cc2)n(CCc2c[nH]c3ccccc23)c1=O)N/N=c1\occ(-c2ccc(Cl)cc2)n1Cc1ccccc1 150587423 BJNWQAAQQORCIR-HCXVLTECSA-N 692.607 6.408 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C[C@@]3(Cc4cccc(F)c4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169359290 CSXMYAHZUIGMRS-OOURDDBMSA-N 656.744 5.906 50 1 KKGF CC(C)=CCC[C@@](C)(O)[C@@H](O)C/C=C(/C)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 238770541 PWDGMEJVFFOABR-PUENNWOLSA-N 571.637 6.778 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 299827841 PVHJURUEMDDUCX-BOABNOFISA-N 654.661 6.378 50 1 KKGF O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 586943665 DCKMZDFDGLFUED-UHFFFAOYSA-N 558.982 5.832 50 1 KKGF Cc1cc(Br)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587137785 LGEBPZCQVOVAAM-UHFFFAOYSA-N 510.095 7.860 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587689500 TWMVBFOMEBMKKV-XIKBYKQQSA-N 510.278 7.054 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3nc(S)ncc3C(=O)Nc3cccc(F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587944486 CWNOLXGXZPXMMY-XYJCBZGOSA-N 612.680 5.240 50 1 KKGF COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCBr)c(OC)c3)C2=O)ccc1OCCCBr 653754005 SPFCJNQRNFECMG-YHARCJFQSA-N 594.340 6.861 50 1 KKGF COc1ccc2cc([C@@]3(CBr)c4ccc5c(c4CCN3C(=O)OC(C)(C)C)NCCC5)ccc2c1 961774191 GGORJIMXHRZJCM-LJAQVGFWSA-N 537.498 6.638 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)N[C@@H](C(=O)O)Cc3cccc(OC(F)(F)F)c31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 962635021 NSXXWDWWGXCLAO-FZPVSYBUSA-N 998.139 6.609 50 1 KKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962639680 VRTNCDRKLFGJMZ-LVXARBLLSA-N 566.876 5.745 50 1 KKGF Cc1cc2c(cc1C)[C@]1(C(C=O)=CO2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963088693 FCHDXUDWOCFVLJ-PUAPYOPTSA-N 591.707 7.326 50 1 KKGF Cc1cccc2c1[C@@](CBr)(c1c(-c3ccccc3)noc1C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963842231 WBPUTLBVIGHIOR-PIKZIKFNSA-N 555.469 6.233 50 1 KKGF Cc1cccc2c1[C@@]1(C=C(CO)OC3=C1OC(N)=C(C#N)[C@@H]3c1ccc(C(C)(C)C)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963855112 RVAOEHWJJUVXHK-QVTUAZKASA-N 627.738 5.750 50 1 KKGF CN(C)c1ccc(-c2cc3c(s2)c2sc(-c4ccc(/C=C(\C#N)C(N)=O)s4)cc2n3C(C)(C)C)cc1 1857769319 SRWZROFOZXNVCC-SFQUDFHCSA-N 530.744 7.526 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](c2c[nH]c6cn(cc26)[C@@H](O4)[C@@H](C#C[C@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@H](O)C1 2356352788 BHPJUHRJMWNEQT-WMBQAMBTSA-N 941.229 8.448 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSSC3CCC2CC3)c1 2356504729 CSZLGNHMVQZRMO-HZLFYQMPSA-N 702.939 8.001 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OC2CCCC2)c1O 2356600198 DDHQCOKWAAIDPK-RBTQJWEXSA-N 724.938 7.419 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356771452 YAWSGAKNUKJJGF-BCSDJKGVSA-N 915.177 7.499 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](C4(CCCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356777225 PPPNWTQJBMXWML-QUGMYEEASA-N 966.409 7.838 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H]2c3cc(OC)c(O)c(O)c3CC[C@H]2SSC[C@H]1C1=CCN=C1 2356806357 AGFGLSBSGIXVAL-JBRUFHRKSA-N 547.739 5.614 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 2356843244 DFUXHMHWOWANRY-MTWQDKRISA-N 567.836 10.525 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C[C@@H](O)CC[C@H]3[C@H]1OC4=O 2356857527 SJQOMPPNEYCREA-DGMBDJQISA-N 836.993 5.673 50 1 KKGF COC(=O)N[C@H](C(=O)NN(Cc1ccc(/C=C/c2ccccc2)cc1)C[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)C(C)(C)C 28571877 MYCHAQXKDYLAGD-MDKKUHPCSA-N 704.868 5.209 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@H]3C[C@]2(C)[C@@H](Br)CC1 49775427 SXQYDZYKXZHMKD-DGTHGUPJSA-N 570.362 6.855 50 1 KKGF CCC[C@@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@@H]2O)C3 85629577 UEBXVIKDVRKHGZ-ATPFSIDMSA-N 845.120 8.352 50 1 KKGF biogenic,in-vitro COc1cc(/C=C2\CC/C(=C\c3ccc(OCCBr)c(OC)c3)C2=O)ccc1OCCBr 95593556 IMMKEUBERVVGTA-IWGRKNQJSA-N 566.286 6.081 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4o3)ccc2[nH]1 150547356 BZFITSAZNFUCMF-OAQYLSRUSA-N 867.234 7.208 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586895 MOJBOJSSQKFLBQ-ZFEZZJPFSA-N 775.874 9.393 50 1 KKGF CC(C)(C)[Si](OC[C@H](O)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C1OCCO1)(c1ccccc1)c1ccccc1 208164578 IJYMWBUUJCIFDN-OIDHKYIRSA-N 640.969 5.242 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(I)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 299833604 HSZVORDFCNWLJP-HURDLCFYSA-N 596.509 6.696 50 1 KKGF O=S(=O)(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 586941236 HHOXVIBLVZHGDD-UHFFFAOYSA-N 550.325 5.233 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H](c3ccc(Br)cc3)N3CCCC3)nc2c1 586984274 DPSDQWSCLAXUKC-QGZVFWFLSA-N 561.212 7.931 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4ccc(Cl)cc4)n3)nc2c1 587015363 BFQFQGGJQIKBRM-UHFFFAOYSA-N 516.742 8.427 50 1 KKGF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@H]21 587025552 HMCNATXBEAGDDX-VHSSKADRSA-N 570.447 8.119 50 1 KKGF CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587227639 ZFYVDPBLWBQPDY-RUZDIDTESA-N 658.531 10.389 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cccc(CBr)c2)[C@H]1c1ccc(F)cc1 587322744 OERPHHPMNQZRDM-XCZPVHLTSA-N 503.367 6.729 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)[C@H]1c1ccc(F)cc1 587332994 URNNIYCBOBKEGP-RBBKRZOGSA-N 513.256 6.339 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)CC2=O 587463080 VVNQTQYWUWWVGZ-IBGZPJMESA-N 522.155 6.382 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(SC(F)(F)F)c1 587557703 SKJHVSHFUYOXBX-RXVVDRJESA-N 511.315 6.256 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Br)ccc(Cl)c1F 587559324 WFBYBJKRONSXMR-UTKZUKDTSA-N 542.582 6.199 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587718885 OZSFHRDUAMDSBS-MAGHIWBWSA-N 624.994 5.904 50 1 KKGF CC(C)(C)OC(=O)n1cc(CCl)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cnc21 587887878 BYLKUZLPXDHPRK-UHFFFAOYSA-N 506.817 5.576 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc(C)c(C)c1)([C@H](Cl)C(=O)c1ccc(C)c(C)c1)N(C)[C@H](C)C2 962627997 NUZDDZUZXDRVOY-GYBHTYNJSA-N 506.086 6.548 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@]2(CCC[C@H]2Br)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962715268 RAXYVYHWERROFA-YUXUKGBOSA-N 624.526 5.946 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2ccc(C3CCCCC3)cc2)N1 963164952 UXAFFKODFHUMMC-HPJJWIKHSA-N 700.721 8.653 50 1 KKGF C[C@]1(c2oc3ccccc3c2NC(=O)CCl)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963241470 UCPZSZCEOBXIGH-RGJYROARSA-N 727.082 6.656 50 1 KKGF Cc1cc([C@@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 963706139 ULQVKHQTZAOYFK-NCABMWHOSA-N 691.637 5.953 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2cc(OC)c(OC)cc2Cl)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947569 OAJLFEGGEUZHKS-KBUZEXHASA-N 753.181 6.133 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(S(C)(=O)=O)cc3)CC2)nc2ccsc12 1772656201 IUPMHWHSXMGAAF-SNAWJCMRSA-N 573.744 6.117 50 1 KKGF O=C(N/N=C/c1ccc2c(ccc[n+]2Cc2ccccc2)c1)c1ccc2ccc3ccc(C(=O)N/N=C/c4ccc5c(ccc[n+]5Cc5ccccc5)c4)nc3c2n1 1857542495 OEYJCLXLCQZIOE-ZAPDOKAZSA-P 756.870 7.289 50 1 KKGF O=C(O)c1cc(S(F)(F)(F)(F)F)cc(NS(=O)(=O)c2cc(Br)ccc2O)c1O 1857596057 QJKRMFMEFICLPS-UHFFFAOYSA-N 514.244 5.017 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3cccc(F)c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857603976 BXMHLEOIMRWJGX-UPEAXMAZSA-N 600.459 5.541 50 1 KKGF CS(=O)(=O)c1cccc([C@H](CO)NC(=O)c2cc(S(F)(F)(F)(F)F)ccc2Oc2ccccc2)c1 1857649488 NVODCWXWVPXEIC-FQEVSTJZSA-N 537.528 6.003 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)C(Cl)Cl)CC[C@]54C)[C@H]2[C@H]1OC3 1857773710 WTOOKSKCYOCUKG-ZCPBBPPYSA-N 536.628 8.369 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356367982 HTDCFRQRHAKMBM-HGTWLOLLSA-N 827.160 6.460 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356370264 OMELYABDBXQMBU-AWJKCHFOSA-N 833.174 8.663 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@H](C)NCC2=C[C@H]1CCC2 2356370615 RZBOKHYCUUUYLX-SUMKUTAHSA-N 725.027 5.955 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](C4(CCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356373308 XRBRGIRABCLNTL-MTHAVZRVSA-N 936.383 8.475 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356450956 PCRGTPLJNHBCSV-NAXCQTIJSA-N 821.123 6.451 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4[C@H](CNC(=N)N)[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@]34C)[C@H](O)CC1=C1CCCC2(CCCC2)C1 2356476249 FTNWCJXOLUVFNE-GSTXUNSMSA-N 864.276 7.584 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCCO)CSSCO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 2356499498 FAASLSIQZYQJSZ-OOHYJXTJSA-N 816.988 5.211 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@@](C)(O)C1CCCC1)C3 2356656864 MOALTLJMJPQLAL-WMVZVABBSA-N 655.744 5.612 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@]2(O)CCC[C@H]4CN(CCCOC)CC[C@@H]42)O3)O1 2356670020 XKVFNCDHZJREFT-CETNJIHSSA-N 883.048 5.453 50 1 KKGF C=C[C@]1(C)C=C2C(=O)C[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OO[C@@H]3C[C@@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(C(C)C)cc43)[C@H]2CC1 2356672297 DWLHCWUIQVURCE-IWGBSLGNSA-N 616.883 9.833 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)C(=O)CC[C@@H]1O[C@H]([C@]2(C)CC[C@@H](Br)C(C)(C)O2)CC[C@@]1(C)O 2356794952 LOHFWUWSVGUPFZ-ISIPQHQDSA-N 603.635 5.151 50 1 KKGF CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCBr)C/C(=C\CCCC(=O)O)C[C@H]12 3785261 JBOMKSHMNRADSH-VQMKEPILSA-N 505.493 5.090 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCO)c3ccccc43)[nH]c2c(OC)c1OC 26494004 FOBKHNCNHLHIFA-QFIPXVFZSA-N 719.147 6.748 50 1 KKGF N#Cc1ccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2ccc(C#N)cc2)OCCN2C(=O)c3ccccc3C2=O)cc1 49841160 PJZZXHFIQZGFTN-MBIPSJRMSA-N 700.758 6.112 50 1 KKGF O[C@H](CCl)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@@H]1c1cccc(OC(F)(F)F)c1 49872103 DLNHKQIOTRJLQP-WZONZLPQSA-N 545.907 7.244 50 1 KKGF O=C(COc1ccc(OCC(=O)NNC2=N[C@@H](c3cc(F)c(Cl)cc3Cl)CS2)c(Cl)c1)NNC1=N[C@@H](c2cc(F)c(Cl)cc2Cl)CS1 95551296 WDEMIGLEHMFABR-DHIUTWEWSA-N 784.909 6.919 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](C)[C@H](CC(C[C@@H]3O[C@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]23OO4 169615554 CRSJHIRCVZDTHB-UYOOBRQQSA-N 832.066 7.556 50 1 KKGF C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@@H](OC(=O)NCCCCCCC(=O)NO)C1 170185492 GEYMFTUKZLBUPW-YFRHZCBQSA-N 620.904 6.818 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928854 KDEBQRHOJZQXGT-VUBDRERZSA-N 737.460 8.859 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 253635156 CUIGPZVXPKTCJE-DTASYOKMSA-N 537.623 7.543 50 1 KKGF O=C(Cc1ccc(CBr)cc1)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321032 HVEXMKHBOMNJKC-SMCANUKXSA-N 575.430 6.467 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c1)(c1ccccc1F)CC2=O 587463519 BJGDXKAGRHWTRS-GPJSMQNRSA-N 574.574 7.814 50 1 KKGF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CBr)cc21 587537446 FMXIANLPYXYVQM-UFHPHHKVSA-N 513.343 5.737 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c(C)cc(Cl)cc12 587624934 XGGBWKBNKRAHHX-LLKLGGKISA-N 646.583 7.039 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 587728958 BMRIZMGBTLSBLA-GGIZRUFZSA-N 520.849 6.116 50 1 KKGF CCCCc1ccc(-n2c(O)ccc2O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(Br)c1 587935147 BTCHHYXBGRNNRD-NWDQHFQWSA-N 576.528 6.875 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962642017 OXINQDICYNICLY-WTYRNKAYSA-N 618.199 6.388 50 1 KKGF CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)CBr)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]4CC[C@]23C)O1 1772640645 QDELSTSHTCVWRF-BVLXKVINSA-N 702.609 8.633 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c(OC)c1 1857605195 RSWAEXABUBJWHQ-GNWGPFPHSA-N 723.907 8.714 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)OCCBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857639493 JSRCHZXSSMFVGC-BWXYOZBYSA-N 565.677 8.023 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(/C=C/C(=O)NNC(N)=O)CC[C@]3(C)CC[C@]21C 1857744952 XVESYAKNFNXLOL-SLZFIRKYSA-N 553.788 5.584 50 1 KKGF O=C(COc1ccc(N2C(=O)CS[C@@H]2c2ccc(Cl)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911578328 OZNRKEHJWAXZPN-VXVIDZLKSA-N 655.180 5.356 50 1 KKGF CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@@H]1O 2356360878 QQUDMENFFCLHSZ-WLYZSCBQSA-N 915.235 8.889 50 1 KKGF CCC[C@H](O)C[C@H](O)CC(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@H]5O)C1(C#CO2)CCCC1 2356487510 DEWQGWAGXCRLPF-BPMXMBBCSA-N 837.077 6.767 50 1 KKGF COc1cccc2c1cc(-n1oo1)c1c(C(=O)O[C@@H]3CC=C(C=O)CCC=C(C)CCC=C3C)cc3c(c12)OCO3 2356703132 NKJVKKZDOQAQNM-AREMUKBSSA-N 557.599 7.214 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356728810 VNCSOJHQVFAUMC-VYGMUZMZSA-N 904.297 6.939 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356751816 PNFJUUUADRHTHT-HUXQDOPZSA-N 944.229 8.751 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)[C@@H]3CC[C@@H]2C=C[C@H]3SSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2O)C12CCCC2 2356752740 NFLIPYAIKRWUHH-HIZMRRKUSA-N 891.254 9.266 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@@H]41 2356775422 LHYVXSQHIWBARK-ACCWWWELSA-N 918.280 5.862 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356873445 ZEUSHQPNGSQXHX-QPAMJMMKSA-N 932.086 6.531 50 1 KKGF O=C(CCCCCCC/C=C\CCCCCCCCBr)N[C@@H](CO)Cc1ccc(O)cc1 13685165 HHFAASDNJNGURU-HPTGGSLYSA-N 510.557 6.824 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C(=O)NC1CCCCC1 28562890 MCXXTDZZPGXXOS-ZNZIZOMTSA-N 654.737 5.739 50 1 KKGF C[C@H](CCC(=O)NNc1ccc(S(N)(=O)=O)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 29340534 KZVZAOLPWAFGER-PGURVSJESA-N 545.790 5.213 50 1 KKGF CCOC(=O)Nc1cc(COC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1 49888883 KDFNXGUPWLOGNL-UHFFFAOYSA-N 647.559 8.700 50 1 KKGF COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1cc2ccccc2s1)C(=O)OC)NCCC(=O)c1cc2ccccc2s1 72113950 SBPJLWYRYACUBK-PSWAGMNNSA-N 672.916 6.386 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 85627272 FWGOBHRCYWDLJQ-CGFVBSPPSA-N 781.098 7.060 50 1 KKGF biogenic,in-vitro CNC[C@]12C[C@H](CCOC)[C@H](CC#COc3c4cc(cc3O1)CC/C=C/C(=O)[C@]1(Cc3ccc(O)c(OC)c3)CCC[C@@H]1CSSC/N=C(/NC)N4)C2 150347485 XWPNYGPZELQCAG-CHOYMPKISA-N 763.039 6.971 50 1 KKGF biogenic,in-vitro O=C(NCc1ccccc1)[C@@H](Cc1c(SSc2[nH]c3ccccc3c2C[C@@H](NC(=O)C(F)(F)F)C(=O)NCc2ccccc2)[nH]c2ccccc12)NC(=O)C(F)(F)F 150524755 HPPRVVIEPVVPDV-ROJLCIKYSA-N 840.872 7.261 50 1 KKGF Cc1nc(C[P+](c2cccs2)(c2cccs2)c2cccs2)c(C[P+](c2cccs2)(c2cccs2)c2cccs2)c2c1OC(C)(C)OC2 210382287 SFKPNGBTOKHKTI-UHFFFAOYSA-N 766.015 9.392 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@@](=O)(O)[C@H](Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 261163853 RIOJMNDNYHZZFM-PVRVKMKPSA-N 787.685 6.963 50 1 KKGF O=C(N[C@@H](CCCCCSSCCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12)C(=O)Nc1cccc2cccnc12)OCc1ccccc1 261186710 XQPDEMOFEZWKBH-ZRKBJOGQSA-N 873.114 10.452 50 1 KKGF CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@@H](O)CCl 299838893 RKKUYLWNXGUBNM-XGBKIKEOSA-N 559.571 5.104 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(C[C@H](C)CC[C@H]1C(C)C)OO2 299847089 GVEWMTYYJNQRSH-DTKIBJBVSA-N 690.915 7.713 50 1 KKGF Cc1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144283 HMVUBGLZPQSCLR-UHFFFAOYSA-N 551.306 8.463 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 587671711 AHCYENQNAREVJQ-XLFHBGCDSA-N 537.021 5.432 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c(C)n1-c1ccc(C(C)C)cc1 962642020 TTWOWLOLTVMKJL-AHWVRZQESA-N 520.979 6.197 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H]([C@H]2C1)[C@@]1(C=C2[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)NCCc2cc(-c3ccccc3)ccc21 962674614 YFENIKCTUWZADX-LAOKDQQHSA-N 670.938 9.430 50 1 KKGF COc1cc2c(cc1OC)[C@]1(C=CC3=C(c4ccc(N=C=S)cc4C(=O)O)c4ccc(O)cc4OC3=C1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682951 VXWBHOGDNTZJCU-KXQOOQHDSA-N 724.713 8.103 50 1 KKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(I)c(Br)c2)N1 962965224 ZRTUWVFAGKDELZ-RBZFPXEDSA-N 574.098 6.098 50 1 KKGF Nc1ccc(S(F)(F)(F)(F)F)cc1[C@]1(c2ccccc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963009246 DNWNEWVZRMHHFT-JTSJOTPCSA-N 648.053 8.505 50 1 KKGF CCc1ccc([C@@]2(CCBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963015443 UDOATGKEPBUFAY-SVEHJYQDSA-N 565.895 6.564 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCc2ccccc2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857534753 UPXRHJMMTUWFQS-KQMKIYMTSA-N 593.805 6.337 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)c5cc[nH]c(=N)c5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](O)CCCC1 2356293659 JHBTVEZRVGVQTC-KMTISVKISA-N 748.024 6.158 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1O 2356453952 RSYMSFYFRRTHOX-JHVDKOPNSA-N 864.551 11.218 50 1 KKGF CC(C)(C=CC[C@]1(C)[C@H](Br)CC[C@]2(C)C[C@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)CC[C@@H]12)OO 2356565109 PHHNLIYTQGXJRF-VVJPOEOCSA-N 537.491 6.004 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356627508 LAEKLZBSRIJJLA-CKTQBQDLSA-N 847.109 8.107 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@H]1Cc1cc(Br)ccc1O 2356797925 OPVFBNNCNUNDHA-CXQZEGAPSA-N 729.173 9.732 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@]3(C=O)OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356863260 UQIKUJWKBDKKDO-OKOWWQJXSA-N 967.132 5.542 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356865533 MAYYKYZWGZLBPC-MJGLDHQDSA-N 822.131 6.282 50 1 KKGF CCCCCc1cccc(C[C@@H]2C[C@@H]3[C@H](O)C[C@@H]4CCC[C@@H]4CSSC[C@@H]4CC=C5OC(=C6OC(=O)C(CO)=C6OC)[C@H](C)[C@@H]5[C@@H](C2)N43)c1 2356871583 YCFNLGAMBHKACX-BZIBUPOASA-N 710.015 7.573 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C[C@@H]([C@@H]3CNC(=O)C34CCCCC4)C1)O2 2356875288 ZOFSTRGRYPQTRZ-ICHUMUDRSA-N 934.052 5.202 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc(Cl)cc34)cc2)N1c1ccc(Cl)cc1 45299186 GEHKJLPJNDYFAG-DNQXCXABSA-N 500.765 6.374 50 1 KKGF Cc1c(C(=O)N/N=C(/C=C/c2ccccc2)C(=N/Nc2ccc([N+](=O)[O-])cc2)\N2CCCCC2)oc2ccccc12 49780494 JISGGFCNTKIHBT-GBAKODGNSA-N 550.619 6.360 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49898256 ROQIHFFCAPNSHV-ZCWZGXLASA-N 594.742 5.436 50 1 KKGF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 95539242 ACUFDVOLVXEBHR-BZTIFZGPSA-N 764.928 9.279 50 1 KKGF Cn1oc2cc3c(c4cccc(c1=O)c24)[C@@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 95603910 REIXRVGJWHKOOM-IBGZPJMESA-N 590.039 6.482 50 1 KKGF CCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)CO 145213534 QDFRJCCLDQVLHD-QSUVIHHLSA-N 549.278 8.424 50 1 KKGF CC(=O)N[C@@H](Cc1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 150594499 ZPMFWKTYEZCACZ-MKQUXBLGSA-N 789.267 6.858 50 1 KKGF COc1cc(-c2cccs2)cc(/C=N/CCSSCC/N=C/c2cc(-c3cccs3)cc(OC)c2O)c1O 169699739 PAAROUKKPNHCOV-YAGSLNJISA-N 584.810 7.491 50 1 KKGF CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 205649044 KZMQPYCXSAGLTB-ZWUNQBBJSA-N 539.615 5.666 50 1 KKGF Cc1c(Cl)ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587190701 NAQJYXIBGMYHDG-YTDHDMEXSA-N 610.239 7.557 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)cnc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191702 VMHDHOUTDSSAHF-BBURBPSPSA-N 631.645 7.297 50 1 KKGF O=[N+]([O-])c1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 587264344 MBUYCLQZTGYLQG-UHFFFAOYSA-N 503.203 6.390 50 1 KKGF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2cc(CBr)ccc21 587319829 DCOVSHBTYCPCLV-WNJJXGMVSA-N 529.361 6.273 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@]1(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]31C)CC2=O 587460184 LFIQTWYLMORHOS-LHXZCDDTSA-N 697.652 7.362 50 1 KKGF Cc1cc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 587537631 JHCXXYZPBYKCQY-OFNKIYASSA-N 518.201 6.024 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 587619988 WONZFAADCHGLLV-FREGXXQWSA-N 546.044 6.415 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](Cc2ccc(F)cc2)NC(=O)OCc2ccccc2)N1 587731504 GXKNPLDEVSBOKY-CCXQXCJASA-N 563.870 6.233 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCCl)(c2cccs2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963070009 BSXJMYBHPBYSDX-BYYXFNHRSA-N 730.175 8.577 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 963166069 CCJDEGCQWWFTKQ-SJCJKPOMSA-N 507.550 6.312 50 1 KKGF C[C@]12CC[C@@H]3[C@]4(C=C[C@]5(C[C@@H](O)CC[C@]35C)OO4)[C@@H]1CC/C2=N\OCC(=O)Nc1ccc(Cl)cc1 1772620674 VQWHFBUJGXDNJC-NUEKQDCXSA-N 501.023 5.038 50 1 KKGF CCCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 1857561388 JECQBHPHBSTJDJ-MQYZIIFLSA-N 591.528 6.220 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C 2356387944 MADNRNGLRBRRDV-HRYJUMNDSA-N 556.828 6.919 50 1 KKGF CNCc1cc(O)cc([C@H](NC2CCCCC2)O[C@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356635110 UWXVNTWPOLELGP-DGBBCRQLSA-N 761.019 8.286 50 1 KKGF C=CCc1cc(BC)ccc1C(C)(C)c1ccc(Bc2cc(S(=O)(=O)O)cc3cc(SOO)cc(Bc4ccc(S(=O)(=O)c5ccc(C)c(SOO)c5)cc4S(=O)(=O)O)c23)cc1CC=C 2356721516 HKQBWFAZOKDQHZ-UHFFFAOYSA-N 970.614 5.135 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@](CCO)(CC4(c5ccccc5)CCCCC4)CCCC[C@H]3O)C=C12 2356817393 DKNOMFPIFRDIDX-CKSDSXDISA-N 992.402 8.970 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356848737 PIECKVOCJYUMMC-UJRNKPKDSA-N 875.167 5.795 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@]([C@@H](C)Cc5ccccc5)(C#C[C@@H]3C=C12)C1(CCCC1)C4 2356852143 QNOHXLAMRMJOJQ-IRBUGSEKSA-N 974.387 9.364 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@@H](OCCO)CCCC1 2356860155 UCJOGPUDUBGQSU-OSQRGJETSA-N 820.131 5.715 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H]3NCC[C@](Cn4ccnc4)(SSC1)C3=C2 2356864588 VWXDLQDQGBJMML-LHHKSOOASA-N 594.803 5.055 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356870780 XUQPJYDDPFBJLZ-JWRSAOCGSA-N 935.355 9.228 50 1 KKGF CC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 1487933 BIIZHPQOVMNVIQ-FQEVSTJZSA-N 592.055 6.702 50 1 KKGF CNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145595 QDWCHUWEPONNSK-IIHRHBSVSA-N 504.715 5.952 50 1 KKGF O=C(N/N=C/[C@@H]1NN(c2ccc(F)cc2)[C@@H]2[C@H]1CCC[C@@H]2Cc1cccc2ccccc12)c1ccccc1 40457092 IWRDBMLARBRACV-SLDPAZIBSA-N 506.625 6.116 50 1 KKGF CC(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@H]3CCl 49723177 SMSGKARSVYZHOQ-GOSISDBHSA-N 535.000 5.355 50 1 KKGF O=C(N[C@]1(C(=O)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1)c1ccccc1 82181626 SDPCVQJBHCOAHU-JCLGTFHJSA-N 706.810 7.483 50 1 KKGF C=C(c1ccc(Br)cc1)[C@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653690 DLYNQDQUVHMCIM-YKSBVNFPSA-N 501.329 5.100 50 1 KKGF COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(Cl)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84706598 WRMUAKMXTSXXMQ-XMMPIXPASA-N 534.447 6.314 50 1 KKGF COc1ccc(CCn2c(C(=O)NNCCCCCCSC(C)=O)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC 95612488 PIVYMZGKOCIYPV-UHFFFAOYSA-N 761.894 6.784 50 1 KKGF C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NNC(=O)c1ccccc1 95612983 CDOWCVMWIGMULL-FLGZPZLISA-N 804.945 5.720 50 1 KKGF O=c1c(Br)c(-c2ccc(-c3ccccc3)cc2)oc2cc(CBr)c(Cl)cc12 96937338 CBPQYRMOYYRUCX-UHFFFAOYSA-N 504.605 7.438 50 1 KKGF O=C(O)CC[C@H](NC(=O)Nc1ccc(COC(=O)Nc2ccc(N(CCBr)CCBr)cc2N(CCBr)CCBr)cc1)C(=O)O 150556304 DYUUFMUAWGZNEU-QHCPKHFHSA-N 873.232 6.067 50 1 KKGF COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](O)[C@H](O)[C@H]1O 586997554 ZBPNCCNFZVTIAS-IOHSPMLXSA-N 746.505 6.956 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4c(C)n(C)n(-c5ccccc5)c4=O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056922 PHCJNFBVRVNHQG-KQWNVCNZSA-N 672.598 6.940 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)[C@H]1c1ccc(F)cc1 587328112 ITJCBMVYVXKURL-PGRDOPGGSA-N 531.246 6.478 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl 587329213 XMSZLYILGATFQQ-XTEPFMGCSA-N 544.837 7.739 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332150 JESBPVVIONYLPG-CZFPTIGNSA-N 534.990 6.428 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504129 FWGYDFGILBUXOL-MHZLTWQESA-N 571.842 6.501 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccc2c(c1)OCO2 587544649 OSBKEJSVXLPMLY-JPZGVGIDSA-N 529.932 5.224 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 587803313 OWENRKRPCMYNOX-AWDIYLNMSA-N 518.386 5.866 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)N(C)[C@@H](C)C2 962627190 KZWITKVGINCTOK-YHAMSUFESA-N 506.996 6.489 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(c2c(-c3ccccc3Cl)[nH]c3ccccc23)N1 962696635 AFOBWCLEWXELOW-PXDATVDWSA-N 537.340 6.728 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](/C(C#N)=C\c2cc(OC)c(OC)cc2[N+](=O)[O-])(C(C)(C)C)N1 963162066 MVQIQAPFBANGQX-RKGHLXCVSA-N 737.857 7.741 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 963167281 DSLBELQFMXKNPG-SUMWQHHRSA-N 551.108 6.268 50 1 KKGF Cc1c([C@]2(CCl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c2ccccn2c1C(=O)c1ccc(F)cc1 963240904 ZVSCTXAGIFVZDU-AYWVHJORSA-N 527.983 5.247 50 1 KKGF COC(=O)c1ccc([C@@]2(C(Br)Br)c3cccc(Br)c3CCN2C)s1 963281624 TXEXYYIUKBUTOJ-QGZVFWFLSA-N 538.099 5.145 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(C(C)(C)C)cc1)c1c(NC(=O)CCl)sc2c1CC[C@@H](C)C2 963642614 ZANKDMCHYSLIAO-WHYLIKKDSA-N 581.222 7.191 50 1 KKGF CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@H]1n1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 1772630361 UUGJRLJVILDHPR-VVMUCNELSA-N 507.598 5.485 50 1 KKGF Cc1ccc(-c2n[nH]c(Oc3ccc4ccccc4c3)c2/C=N/NC(=O)c2nnn(-c3ccc([N+](=O)[O-])cc3)c2C)cc1 1857648079 PNDKMBNCEHQBOG-KCSSXMTESA-N 572.585 5.892 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356350763 JLALTYWRLZASII-SNEOMLQNSA-N 827.116 5.574 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@@](C)(O)C1CCCCC1)C3 2356351609 BAMXPVSHVPQRTI-YVCLTMTQSA-N 713.824 5.755 50 1 KKGF C[C@@H]1CC=C[C@]2(CCC[C@H]3[C@@H]2C[C@@H]2C[C@@H]3Cc3cc(O)cc(c3)Cc3ccccc3CN[C@@]3(C)CC[C@H]2SSC3)C1 2356357109 OWJFWYLNLZLJIG-CCSATBKLSA-N 587.939 9.346 50 1 KKGF CN[C@@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NCC(C)=O)c(CO)c1 2356358502 QEUHONDCRFMHOK-PHVJIRSXSA-N 744.976 8.241 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC)c1O 2356364351 WGLJQQLCVWJDTQ-IBZIERKUSA-N 610.794 7.210 50 1 KKGF CNCc1ccc(CO)c([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC4(CCCCC4)[C@@]34NC(=N)NC[C@@H]24)c1 2356367612 GBKYHGURYHAHHU-FMXDAFRNSA-N 763.127 6.602 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356767532 DJTBFWXQAVUAHP-PLFAFCKYSA-N 829.132 5.798 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCCC[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356775799 BMRJBKBEGSYTHY-PSZWLEJASA-N 918.272 7.653 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@@H]1[C@H]2CC[C@@]4(C5=CC[C@H](C)CSSCNc6cc(ccn6)[C@@H](CN6C(=O)C=CC6=O)C2=C4C(=O)O5)[C@H]31 2356778774 DJMZQIIYOJBLOA-JLYDCXCPSA-N 711.906 6.982 50 1 KKGF Cc1ccc(S(=O)(=O)c2c(SSc3[nH]c4ccccc4c3S(=O)(=O)c3ccc(C)cc3)[nH]c3ccccc23)cc1 27724868 DNWMFSJFDUXLDC-UHFFFAOYSA-N 604.800 7.731 50 1 KKGF COc1ccc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@@H](O)c2ccc(OC)cc2)cc1 28218225 RSFVSUUQBLFEBJ-KKLWWLSJSA-N 650.996 5.331 50 1 KKGF C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/OC(=O)C(C)(C)C)[C@H]1SSc1nc2ccccc2s1 29252856 GQHXXVRUIMLYLS-FQTBGGSLSA-N 534.725 5.965 50 1 KKGF Cn1oc2cc3c(c4cccc(c1=O)c24)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 95602469 REIXRVGJWHKOOM-LJQANCHMSA-N 590.039 6.482 50 1 KKGF CCC(=O)N1CCCC[C@@H]1[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169851855 SDDAUTZIHMYSJR-FVEZKYDISA-N 573.979 8.578 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 253918756 ZYNDZWJYJYLFBP-PQRWXPCCSA-N 540.716 7.099 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 299848721 VYOJHIHCFZNRRM-OQWSNKROSA-N 661.877 6.938 50 1 KKGF S=C(Nc1cccc(Br)c1)Nc1ccccc1SSc1ccccc1NC(=S)Nc1cccc(Br)c1 473153988 DPMRWHMJIUKUBD-UHFFFAOYSA-N 676.550 9.629 50 1 KKGF N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587045073 CKVAJYCKHRNTSC-RNVRALISSA-N 570.654 5.232 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=N)N)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189342 BMXDHGWRVDNIPP-UATTUGJOSA-N 603.808 5.879 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(=O)O)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190169 JAQNQTOUKRITIE-IROVJIRSSA-N 623.766 6.432 50 1 KKGF COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] 587322747 OGUPIQICCZBFTA-FYYLOGMGSA-N 502.292 5.097 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 587712902 BQGBEJRKHBRJFY-AYLIAGHASA-N 545.140 5.964 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 587718002 HFISIGCDPRDORM-ZWBDZOEQSA-N 503.078 5.456 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(F)ccc2Br)N1 587726960 MYEIJSKXXUHDCH-XYZCENFISA-N 510.014 5.663 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587858297 PYQBLERTJUONJE-KRQILSMLSA-N 606.001 7.177 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CCl)(c2c(-c3ccccc3Br)[nH]c3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045029 WXVUCKVPBOKXAP-VQOCUYOESA-N 754.027 9.618 50 1 KKGF Cc1cc([C@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1-c1nc[nH]n1 963094857 LZHXKQXEVLTSKY-UNVMMQEESA-N 628.176 6.998 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]34C[C@H]3CC[C@]4(CS(=O)(=O)OC[C@@H]4O[C@@H]4CBr)C3(C)C)nc(Cl)nc21 963927838 GJIGMFIZGCKXLM-WOKZFTMISA-N 695.080 5.359 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](C)(c2cc3c(cc2NC(=O)[C@H](C)Cl)OCO3)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938805 QPWLQLFFUPFBLX-XGRCQCHHSA-N 729.321 5.382 50 1 KKGF COc1ccc(Sc2cccc(C(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)[C@H](OC(=O)c7cccc(Sc8ccc(OC)cc8)c7)C[C@@H]([C@H]3C)[C@]64OO5)c2)cc1 1772571249 LQRWJBFJWQCAGR-YHWIMHHNSA-N 784.949 9.207 50 1 KKGF CCCCCCCCNC(=O)[C@@H](OC(=O)CCCCCBr)[C@H]1O[C@@H]1c1ccccc1[N+](=O)[O-] 1772618601 OIUHEWKHFMDATP-VJBWXMMDSA-N 527.456 5.379 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(=O)c3cccc(C(=O)C[C@@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911573528 KQNORDDAQRCBRY-PLLCVHQQSA-N 694.862 7.333 50 1 KKGF CCn1cc(C(=O)N/N=C(\C)c2ccc(F)cc2)c2cc(-c3nc(CN4CCC[C@H]4CO)cs3)ccc21 1911582448 LWBFMNBOAHKJBR-DXFLJZLASA-N 519.646 5.035 50 1 KKGF CNC1(c2cc(O)cc([C@H](Cc3ccc(O)c4c3CSSC[C@](C)(O)CNCO4)C(=O)C[C@@H](O)[C@@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCCC1 2356299814 HJPVVQBYYCEBCV-OBACAERRSA-N 960.272 9.583 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356359142 DNFFRHFBFSPDCH-UWYZOKGOSA-N 861.174 5.059 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)C1(CC=C(C)CN[C@H](C)CCOC)CCCC1 2356370984 VJTCLUVVYOVFJI-UWVIXAJISA-N 685.003 5.725 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC)[C@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2CC[C@H]2CCC[C@H]12 2356505827 QOLBPFOHLXZTAK-UEZKXGHUSA-N 966.413 7.314 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5C[C@H]6CC[C@@H]7CCC[C@@]7(C6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356572267 VLTLZRTZWGDBSQ-HGCDRISPSA-N 984.427 8.355 50 1 KKGF C=C1C[C@H](O)[C@@H]2CCC[C@@H]3C[C@@H]4C(=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]45C)[C@]4(O)[C@@H](CSSC[C@H](n5ccnc5)CC1(C)C)C[C@H]2[C@]34C 2356661899 USFHGDQPMJDEOU-OLFFUIJISA-N 670.982 6.000 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356812171 BSKKPMBRSLZZLZ-HHIPKNQNSA-N 940.062 5.271 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@@H](C2(n3ccnc3)CCCC2)SSC1 2356814692 CKMFDVXSSYEDOU-RXMJOPNQSA-N 622.857 5.919 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356828143 ITAZLIWVEYEPCL-RLMCWNFXSA-N 825.155 6.137 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1C1=CCN=C1 2356850957 QCIXJWUZQRCQNY-HGTOMNAVSA-N 901.137 6.297 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)OCC(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@@H]2C2=CCN=C2)c2ccccc21 2356873207 ZDNCXVUEUVPFRF-FJHXUUHISA-N 925.159 6.778 50 1 KKGF CC(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 49777177 LDWBOMUFSWMQIR-VQNDASPWSA-N 589.117 5.844 50 1 KKGF C[C@H]1CC=C[C@](C)([C@H]2C[C@H]3CSSC[C@@H]([C@H](C)O)CCc4ccccc4Cc4cc(O)cc(c4)C[C@H](C3)C2)C1 85543504 CLYXUWLNKQSFPB-BEDBIAKJSA-N 564.901 8.875 50 1 KKGF biogenic,in-vitro CN[C@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H]5CC[C@H](O)CSSCCC[C@@H]5O)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 85569301 JHNJJKNMMLXZBT-GVROLHFASA-N 786.072 7.946 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 150348730 AQXDRUDBROEMMX-KWJUSCPOSA-N 690.973 5.447 50 1 KKGF biogenic,in-vitro O=C(NCc1cccc(CNC(=O)C23CC4C[C@H](C2)C2(OOC5(CCCCC5)O2)[C@H](C4)C3)c1)OCC1c2ccccc2-c2ccccc21 150594161 PSOMXFONCISKRS-QZEBJFPUSA-N 648.800 7.503 50 1 KKGF CCCCN(CCCC)CC[C@H](OC(=O)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 215285113 SVFWASOJINENNQ-GLWXYGAWSA-N 806.790 12.575 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299833462 YCOIJPSIDUQDNN-AYGMTSFNSA-N 812.448 5.694 50 1 KKGF O=[N+]([O-])c1ccc(NCCOCCOCCOCCOCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])c1 587266835 PJLBEQWKTZGOFX-UHFFFAOYSA-N 708.457 6.520 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)CC2=O 587455585 DLDRTZYTRWWYJS-AREMUKBSSA-N 563.275 6.894 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)ccc(Br)c1F 587558685 SVFYYVBBUXPGQL-LAUBAEHRSA-N 542.582 6.199 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587683171 OBZPFDPDKWBVJY-RHLLTPQKSA-N 551.382 7.979 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1 962626428 JNDIJBCGISDKPB-KWHBQZNLSA-N 593.076 5.634 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCCl)(c1cccc(OC(C)=O)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962667082 BMGCTSJOIDZHDP-PMERELPUSA-N 590.038 6.999 50 1 KKGF C[C@]1([C@@]2(O)[C@@H](Br)C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)NCCc2ccc(O)cc21 963353021 ORDBAMVYKYENMT-GZXJXQKYSA-N 528.531 5.390 50 1 KKGF O=C(Nc1cccnc1)[C@@H](Cl)[C@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830931 FEZSPOHTIBKXTD-MVSFAKPFSA-N 523.036 5.777 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947641 OMUJLMRXRDPFDF-DCXQXGIRSA-N 713.366 6.291 50 1 KKGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 1857604931 PBCQPJMDJSCZHU-YEBYOEETSA-N 717.994 5.676 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)CCC=C(C)CCCC(C)C 2356373291 XMLPKUYKVUHGKU-NCCXDUJKSA-N 600.881 6.793 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356649224 DXSGXKIDQAYVIP-WZLYCAFVSA-N 972.416 8.281 50 1 KKGF CC1=C[C@H](C)CC[C@H](C(Cl)(Cl)Cl)OC(=O)C[C@H]([C@@H]2C[C@@H]2Cl)OC(=O)C=C[C@@H]2[C@@H]1CC=C1C(=O)NC[C@@]12C 2356729723 DVSMDAZIABCDQH-SDIXZXFKSA-N 593.375 5.829 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)N3C(=O)CCC3=O)[C@H]12 2356745035 YOZBQJOSNGGTON-MFKYWBLPSA-N 563.735 5.714 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356775163 IQHCIWLSMGZPFG-SVEFJSKJSA-N 597.887 6.605 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)CCC[C@@H](CC45CCCC5)[C@@H]3O)C=C12 2356809954 AUNFOMAWVKQADD-BXHRCRCBSA-N 884.262 7.895 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC2(CCCC2)[C@H](c2ccc(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356838634 MBTGZCGOFBGVBF-WLBXEJSFSA-N 559.794 6.907 50 1 KKGF CCCCCCC(=O)OCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOC(=O)CCCCCC 29465870 GBRPQGVGUXTSPX-UHFFFAOYSA-N 644.900 7.753 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@@H](CCc1ccccc1)NC(=O)c1ccc(C#N)cc1)[C@H](CCc1ccccc1)NC(=O)c1ccc(C#N)cc1 37858490 HQNCLEFIYXURJH-TYHGNQNSSA-N 682.821 6.715 50 1 KKGF ClCCCn1cnc2c(Br)c(Br)c(Br)c(Br)c21 42804261 DFVGIEWEBNXHQP-UHFFFAOYSA-N 510.249 5.715 50 1 KKGF C/C(=N/NC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(Cl)cc2)n1)c1ccc([N+](=O)[O-])cc1 49808625 IGEVBCNOLSHZQP-LJUMEUDFSA-N 500.946 6.226 50 1 KKGF C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(CCCCC6)OO5)cc4)cccc23)cc1)[C@@H]1COC2(CCCCC2)OO1 49841079 IHMPLZKVXWPVQC-ZAQUEYBZSA-N 676.806 10.466 50 1 KKGF CNC[C@@H]1CC[C@@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1CCC(C)C 85595588 NTTKUJPMMABMKK-LCGSIDMBSA-N 782.075 5.991 50 1 KKGF biogenic,in-vitro Nc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(N)c5ccccc65)cc4c3)ccc2[nH]1 95550137 MHWKSYHMRXRKFJ-UIOOFZCWSA-N 807.742 9.730 50 1 KKGF COC(=O)c1ccc(CNC(=O)CCc2c(SSc3[nH]c4ccccc4c3CCC(=O)NCc3ccc(C(=O)OC)c(O)c3)[nH]c3ccccc23)cc1O 95605962 WNVTVRRFAUAZBO-UHFFFAOYSA-N 766.898 6.931 50 1 KKGF COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@@H](NNC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)Cc1cccc(Oc2ccccc2)c1)C(F)(F)F 95615312 HEWYYDASRJYHND-QGBCWPEESA-N 805.851 5.445 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169361613 YCOIJPSIDUQDNN-UQQUSWPWSA-N 812.448 5.694 50 1 KKGF CC[C@]12C=CCN3CC[C@@]4(c5cc([C@@]6(C(=O)OC)C[C@H]7C[C@@H](C(C)(F)F)CN(CCc8c6[nH]c6ccc(NC(=O)C(Cl)Cl)cc86)C7)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32 169361636 ICRVTVXTQIAENX-AVBOXIPVSA-N 956.912 5.863 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299819224 UXZCKFPBCBHVFY-IYRQKTMHSA-N 897.148 7.237 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4cn(Cc5ccc(C(C)(C)C)cc5)c5ccccc45)sc3c2)CC1 299863175 OSHFBYUYYLHHFX-ZSNJKBEMSA-N 592.813 7.984 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587029284 LIBMHKBUJAWRGV-UHFFFAOYSA-N 536.349 7.504 50 1 KKGF FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587091966 KAGWXXDAFJUCBR-UHFFFAOYSA-N 644.225 8.914 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587327459 GQNCYKPOIAEKRX-IRLDBZIGSA-N 513.256 6.339 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2 587327484 PVAUNTSIZVWENW-JDXGNMNLSA-N 533.983 6.203 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2OC(F)(F)F)[C@@H]1c1ccc(F)cc1 587328646 JTPCKOYOZQIXKZ-IRLDBZIGSA-N 511.265 6.079 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1OC)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O 587492706 BQLJTGXVHOQDSH-GDLZYMKVSA-N 540.081 6.380 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537295 CLEFRCMJRYCVIC-IRTCRQIFSA-N 517.375 6.825 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587539415 WINOPAVKEADISD-UFPGJGBJSA-N 510.384 5.627 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@@H](C)Cc1cc(Br)c(F)cc13 587738424 AHKWQDWFNKGGLL-YNLLYAAVSA-N 719.780 9.141 50 1 KKGF CN(C(=O)NC(=O)c1c(F)cccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 653869578 YQXNTVJSFFHEHM-LODFRUGASA-N 579.429 5.209 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(c1cc(C(=O)CCl)c[nH]1)C(Cl)(Cl)Cl 961747223 HGLWYNJWDWZBEG-HSZRJFAPSA-N 547.310 6.201 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 962699464 OLVRBYHCRCRWQE-OXQOHEQNSA-N 515.326 5.205 50 1 KKGF O=C(Nc1ccc([C@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccccc1 963094549 YOGXYVUOEDLRRF-KWLHKINFSA-N 663.217 8.725 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCl)(c2cc(OC)c(Br)cc2O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963366459 LRICWTACXKPKBW-DODOAAEWSA-N 678.963 6.700 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](/C(C#N)=C/C=C/c2ccc(OC)cc2)(C(C)(C)C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963366462 LRIZSXSWTUHKTD-IOEDXZAUSA-N 668.790 8.154 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)c4c(C)cccc4C[C@H](CC(=O)O)N3C(=O)OC(C)(C)C)sc2n1 963863399 VSEJTBSQRBPHGV-SONOPUAISA-N 572.127 6.299 50 1 KKGF O=C(N/N=C/c1ccc(Br)cc1)N1CCc2ncnc(Nc3cccc(C(F)(F)F)c3)c2C1 1857756013 LNYTUFJBLTUIQO-VPUKRXIYSA-N 519.325 5.103 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCCC[C@H](O)C4CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356292510 RFJGUVCEQFBYDL-UHFSYHOFSA-N 918.235 9.098 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)C=C[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356292698 UOZJLUXYEQXKJX-QNLVUULHSA-N 916.175 8.189 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSSC3(CCCCC3)c3cc(O)c(OC4CCCCC4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356351182 RURIAEKJFBPVMU-LBWLPYLASA-N 692.937 6.619 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356357134 GTBOFIDDSYJTQI-KAHXLPPZSA-N 559.886 6.756 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356372266 AVTINTRWABOWKF-KQIWQQOFSA-N 873.185 5.202 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@H]1[C@@H]2C[C@H]2CSSC[C@@H](C)NCc3ccccc3Cc3cc(O)cc(c3)C[C@H]1C2 2356373839 IZXMNCMTZQGOLO-FWYJVDAVSA-N 615.993 9.984 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356445078 STYSUYBXEPXXKJ-ZNBNSEIGSA-N 699.036 6.924 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@@H](O)C3CCCCC3)C2)[C@H]1CC(=O)O 2356447043 JWTUSGUHHGLFRQ-MRQBHPJCSA-N 708.043 7.588 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)COCC#CCC(C)=CCC1 2356450578 APOAALRBVVAWAJ-WUXKFAKNSA-N 522.726 5.382 50 1 KKGF CC(C)=CC[C@H](CCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=C[C@H]([C@@H]1CC(C)(C)OO1)C(C)(C)O)C(C)(C)O 2356514736 LTZKXZZQHUUMDI-QZRBIWKHSA-N 739.138 13.411 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356533491 HOYVHYAMLXTPOG-UJRNKPKDSA-N 873.151 6.223 50 1 KKGF CO[C@H]1C[C@@](C)([C@@H](C)[C@H]2O[C@@H]([C@H](C)C(=O)OO)C[C@@H](O)[C@@]2(C)O[C@H]2CC[C@@H](OC)[C@@H](C)O2)O[C@@]2(CC[C@](C)([C@@H]3CC[C@](C)([C@@H]4CC[C@H]([C@@H]5O[C@](C)(O)[C@H](C)[C@H](OC)[C@H]5C)O4)O3)O2)[C@H]1C 2356545341 IQVROGAJHRXENX-PAWCNFLSSA-N 915.168 6.084 50 1 KKGF CC[C@@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]45O[C@@H]4[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@@]5(C)[C@H]3CC[C@]21C)C(C)C 2356595447 HAAIKLIMLBUYHH-ODZPMANQSA-N 627.303 5.278 50 1 KKGF Cc1nn(-c2ccccc2)c2nc(-c3ccc(Cl)cc3)cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c12 28642393 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COC(=O)[C@@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@@]1(C)CC2 195458012 WPTTVJLTNAWYAO-QADHZCJFSA-N 505.699 6.379 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(OOc3cc(C)c4c(c3)CC[C@@](C)(CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)O4)cc(C)c2O1 198273249 KLUVLOVWHKMXTO-BLZLOYJHSA-N 791.214 16.242 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12CC[C@H](/C(=C\C=C\C(C)=C\CC=C(C)C)CO)[C@H]2O 238762685 PBUFVTBEAOXKKG-ICCHAGRSSA-N 640.946 8.662 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1[C@H]1C=C(C)CC[C@H](Cl)[C@@]3(C)CC[C@@H](O3)[C@@](C)(O)C[C@@H](O)C1=C(C)C2 255198046 BEJASAFEMXKLJK-YDFUQWORSA-N 719.400 7.492 50 1 KKGF O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3cc(C(=O)O)cc(-c4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)c3)cc2)c1 586879467 IWIZZZXTMUUSOW-UHFFFAOYSA-N 604.509 8.316 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(F)(F)(F)(F)F)cc7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O 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C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 587710485 CZCGCJJMQDAXCK-NSPYISDASA-N 503.725 5.204 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587845055 MNNJSIXRYFBNDH-MHLNXUHPSA-N 578.076 7.715 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(c2ccc(Br)c(Cl)c2O)N1 962704038 UBYANDUEWHQGCU-DYVFJYSZSA-N 517.100 5.047 50 1 KKGF O=C(NN[C@@H](c1ccccc1)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1)c1ccccc1 962704103 IMVLKDBDJARHFA-CDZUIXILSA-N 519.670 6.319 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 963034193 YOHAWEDWRSFQLG-DFUITMLUSA-N 736.294 5.745 50 1 KKGF C[C@H](Cn1ccnc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C 963067114 NINGWFAINYERMO-ZGVKLFSVSA-N 598.817 5.862 50 1 KKGF COc1ccc([C@@]2(C(Br)Br)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963189416 OYJZXLHRDUGYRQ-UKJJDJLKSA-N 697.376 6.917 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CBr)(C2CCC(F)(F)CC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963221488 XXNJIICFXXORHM-ZOYWYXQUSA-N 716.488 6.885 50 1 KKGF CN(C=O)c1ccc([C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963229201 HJLNEHQHNNZTGU-IPZQJPLYSA-N 687.061 5.544 50 1 KKGF N#CC1=C(c2ccc(OC(F)(F)F)cc2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772575405 WQVUELUBRNMKQI-NRFANRHFSA-N 552.393 6.561 50 1 KKGF CC(C)(C)c1cc(/C=N/NC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)cc(C(C)(C)C)c1O 1772577183 YHRUYVVKGPIZBP-MRGXPIFCSA-N 649.167 7.790 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccc(C)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857606639 DVHIPECKMPEMPJ-UPEAXMAZSA-N 596.496 5.711 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(C)cc1 1857647247 ZJZCMINEMYYUBO-YXFAPOAXSA-N 655.836 7.865 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCOC(=O)CCCC[C@@H]4CCSS4)c4ccccc34)[C@H]21 1857749419 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CN[C@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(O)c(CO)c1 2356503492 JTGWBSDVKNKXEJ-CZZIKKGSSA-N 663.858 7.385 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@@H](c2ccccc2)CC[C@]32C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356585798 CNFDYAMCCRDKCK-XHGNVBIFSA-N 975.375 10.798 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)CO 2356633212 QDFRJCCLDQVLHD-JRSUCEMESA-N 549.278 8.424 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356809232 AORGBOLWBKFWKP-XXPWJYBCSA-N 825.155 6.135 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356833388 CAVLCPAIPVFYBR-PPLCWLDESA-N 802.052 5.568 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](NC[C@@H](C)O)C[C@@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356857087 SGKMBNRXXKIBFE-WNZPKEMPSA-N 997.378 6.259 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CCC[C@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(C)=C2OC)[C@@H]4C)c1 2356859415 SUKKQYLTMFHHLS-FMTKVKQASA-N 694.016 8.601 50 1 KKGF CNCc1c(O)c2c(c3c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@@H]1O2)C3 2356871082 XXBKEGWPQHCRAB-FYYSSDJMSA-N 929.218 8.201 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 27624367 QQVONFVPCJCTQB-QOBHAYCISA-N 512.731 6.839 50 1 KKGF C[C@H](CCC[C@H]1O[C@@H]([C@]2(C)CC[C@@H](Br)C(C)(C)O2)CC[C@]1(C)O)CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1 28254427 QWXKUMIUBUIBJK-BFRCKRDXSA-N 591.668 6.052 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43889056 MYRMZFUQZMMUSV-DRVPGRNZSA-N 524.498 6.227 50 1 KKGF CCCCCCCC/C=N/NC(=O)c1cnc2c(C(F)(F)F)cccc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C 49746073 FZXXVXQQSKQOLY-VRBYQNDVSA-N 615.766 7.771 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1nc(-c2ccccc2)cs1)OCc1ccccc1 84635578 SYFAJGRALIQLIN-VWLOTQADSA-N 592.812 7.830 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c1O 85511042 DSQZKSJZYCSNKR-IVOTWYOGSA-N 790.994 5.452 50 1 KKGF biogenic,in-vitro Cc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4nnc(C)s4)cc3)cc2)s1 95613781 RLFMTGJKWUHWSF-UHFFFAOYSA-N 811.012 6.912 50 1 KKGF COC(=O)CC[C@@H](O[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 141489169 SFXFJEZXIQVKPD-IPLQWIFKSA-N 539.463 5.668 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 169364132 LESKKKIMBKXTJX-HBQKEGRJSA-N 909.039 6.329 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1C[C@H](C)C[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@]2(C)C[C@@H](O)C[C@@]1(C)CO 170150764 ZNEXGEMINOWQLM-QYLYAQENSA-N 540.978 7.609 50 1 KKGF O=S(=O)(NCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 586944197 GPEPITMQCBYNIZ-UHFFFAOYSA-N 616.033 8.812 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190149 IHIWHGVJVJCWLY-BBURBPSPSA-N 676.096 7.406 50 1 KKGF O=C(Nc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1)OCC1c2ccccc2-c2ccccc21 587243984 FJGLSSPDBSMYES-UHFFFAOYSA-N 650.467 9.935 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCC1=CCCCC1 587328046 SMUMSPPVRBPFOH-PQHLKRTFSA-N 508.033 7.333 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587378061 UDZHTQUEPYFFAJ-HFZDXXHNSA-N 531.989 5.530 50 1 KKGF CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587682834 DSXFEDGVCCJDAF-PMTKUKKQSA-N 681.039 6.679 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2I)N1 587736356 AFIKHYZIADPTAV-HUTHGQBESA-N 617.920 6.128 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587840166 JWSQDWPBHDPUNS-CBZJRKILSA-N 610.977 5.033 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 587848134 ZWAGWBDFNDHBFS-QKVFXAPYSA-N 574.151 7.252 50 1 KKGF COc1ccc2c(c1OC)[C@]1(C(=NNC(=O)COc3ccccc3Cl)C(=O)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680300 UEWVXFVQBWWNLY-UUWRZZSWSA-N 678.063 6.066 50 1 KKGF CCCc1ccc([C@]2(CCC(=O)Cl)c3ccccc3CCN2C(=O)COc2cc(Cl)c(C=O)cc2OCC)cc1 962988381 NVQFUYPVGLJFSY-JGCGQSQUSA-N 582.524 6.757 50 1 KKGF O=C(NN[C@@H](c1ccccc1)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1)c1ccccc1 963000156 UMTGHQAHKNEEBJ-CQTOTRCISA-N 530.697 6.121 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cc(F)cc(F)c2Br)N1C(=O)c1ccc(Cl)cc1 963019711 YOJNVQSWWITHLC-QFQXNSOFSA-N 638.690 6.652 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CBr)(CC[C@H]2CCCO2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041925 ZSVVULDFTKBHCI-UXSLQZLDSA-N 626.494 6.775 50 1 KKGF O=CC1=COc2ccccc2[C@]12c1c(ccc(F)c1F)C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963045258 YICUKFHWLFMRQF-MYVCOICNSA-N 579.555 5.944 50 1 KKGF CC(C)(C)[Si](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 963082151 AKPNKTSADKRHGQ-QPQGESEJSA-N 808.060 6.051 50 1 KKGF CC1(C)CC(=O)[C@H](Br)[C@]2(C1)c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963084757 GZEQFWPXILUMDZ-HCGADUKBSA-N 608.576 7.338 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)cc1C 1857615093 VNFVFKTXBGMROO-JOIGCABISA-N 707.908 9.014 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@@]3(CNc3cccc(F)c3)CC[C@@H]2[C@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1857753263 FIZOICCCVXWANU-GCXCVHSYSA-N 740.001 7.589 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356294867 RTCUQKJLIZGMBT-TUJOLIIHSA-N 849.177 7.471 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)C 2356351008 NWZYHZAJIPSIEC-VLOHBYHRSA-N 579.822 5.116 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@H]4[C@@H]2O)O3)c1O 2356356394 ASQKOBKAUPTOPZ-ZOGRQAIOSA-N 766.975 7.441 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@@H]21 2356408582 JTJHSEFMUWUYLU-MLNOCLFBSA-N 584.389 7.114 50 1 KKGF CNCc1cc(O)cc([C@H](NCCCCO)O[C@@H]2CC[C@@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356485932 YWPCUBHEXSXCRR-CVOSBSQUSA-N 750.980 6.726 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@](O)(CO)C[C@]35C 2356684464 QOVYDENHWCPDCB-DZOQJBPMSA-N 962.325 6.916 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@](C)(O)[C@@H]2CCN(CCCOC)[C@@H](CC)C2)O3)O1 2356695627 OQAQBBFCWWMJQA-JOBVMMKBSA-N 869.065 6.871 50 1 KKGF COC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1OC(C)(C)O[C@]1(C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356696580 GTVKPMXVFZOWFH-HUCQSLLHSA-N 646.941 8.741 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)[C@@H]1CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@](C)(O)CC1 2356776102 DMDCPOYTNJXJTI-MBXWSYRTSA-N 890.263 6.780 50 1 KKGF C[C@H](O)CN[C@@H]1CC[C@H](O)[C@@H]2[C@H](C#C[C@H]([C@H](C)Cc3ccccc3)C1)C=C[C@H](c1ccc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@H]3O)c1)C[C@H]2O 2356851634 QIBJWCHHQXXEQM-BXZFBVQBSA-N 913.260 5.800 50 1 KKGF C[C@H](CCC(=O)N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)[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 49808524 QDKWYENSTRTTRQ-TYWSDHITSA-N 590.161 5.076 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](Cc2ccccc2)SSC1 85596455 JKAJGSVUUBCEFD-JVYLUIMMSA-N 576.784 6.996 50 1 KKGF biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1 150591091 JIVHLQUIABJFIM-UHFFFAOYSA-N 881.102 9.812 50 1 KKGF C[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I 160696257 DJBHCAQXADHLMR-VLIZMLLKSA-N 742.499 7.544 50 1 KKGF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCCCCCn2c(=O)c(C)cn([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]4(OS(=O)(=O)C=C4N)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)c1=O 195764457 IAGLCWYQSQJWIF-BXHLHPGKSA-N 967.305 5.158 50 1 KKGF CC(=O)O[C@H]1CC[C@@H]2[C@]3(OO[C@@H](C[C@H]4[C@@]2(C)CC[C@@]2(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]42C)O3)C1(C)C 238751959 BVVLDPHSPCYJTD-AQDOMKMOSA-N 516.763 7.814 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC1)OO2 299848615 UBDMUQYNTPAHHZ-NEVCUFSCSA-N 620.780 6.194 50 1 KKGF CCCCCOc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br 587057689 WLNKPZZHUFABNQ-XDHOZWIPSA-N 572.334 8.673 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)O2 587376359 XAEPQQUTISHTBZ-XMMPIXPASA-N 544.789 5.381 50 1 KKGF COc1cc(Br)c([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587497391 CFRDGFRKMCIOER-QFIPXVFZSA-N 510.222 5.601 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587541461 BRCVZNTYEGMNBM-SVEHJYQDSA-N 511.917 5.019 50 1 KKGF CCCCCCCCc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CCl)cc1 587618806 VXEKNLQISJOZLI-UHFFFAOYSA-N 584.138 8.194 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 587683686 VTENZHXYWGJSOL-JCQPUDPBSA-N 540.702 6.775 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(Br)c2)N1 587718723 OAMTUSMYSSQXHA-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 587809774 JIHRVQQOBHKNET-KTJUCRMBSA-N 716.685 5.601 50 1 KKGF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1Oc1ccc(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)n1-c1ccnc(CCl)n1 587939524 FEXONNPRPVLDJR-AQXIMQTBSA-N 502.143 7.685 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@@]23NCC2(CCOCC2)c2cccc(C(F)(F)F)c23)N1 962950076 DYBAAQSBRHAPIK-HVNZXBJASA-N 551.628 6.950 50 1 KKGF CC1=C([C@]2(C)c3ccsc3CCN2Cc2cccnc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)O)N1 963001015 XXIBXIVSBASTDF-IGKIAQTJSA-N 518.664 5.224 50 1 KKGF COc1ccc(CC(=O)NN/C(C)=C2\C(=O)c3ccccc3[C@]23c2c(ccc(F)c2F)C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963033324 GICSLDUHELABJD-CTAQWJSWSA-N 785.800 6.820 50 1 KKGF CS/C(Nc1ccccc1Cl)=C(\C#N)[C@]1(C(C)(C)C)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963155183 YAKQRCPNAFKFJP-DMTFOGNLSA-N 563.145 6.495 50 1 KKGF N#Cc1c(CCl)c([C@H]2c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(=O)n2c1[nH]c1ccccc12 963195366 YZPXILMFPLYVGN-BHDXBOSCSA-N 645.071 6.334 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)C5(CCCCC5)SSCCC[C@@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356308190 XXGRTYDCFJVJGI-HHMOXRITSA-N 736.949 8.199 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)C 2356368860 SNYMARVRECXDLV-NXZRQYCNSA-N 581.838 5.626 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@@]78CCC[C@@H]7C=C[C@@H](C8)C67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356448520 GDFJTQKFFFLGFW-BKLFJPDLSA-N 988.371 6.524 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(CCC[C@@H]5CC(C)C)C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356470413 ZWYHMJGDPAWSGN-BYDRWJOASA-N 781.043 6.256 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOCCCO)C3)c2)N1 2356742030 MKULTUILHHYMCV-CAIWLQHVSA-N 771.059 6.460 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC[C@]1(C)[C@H](Br)CCC(=CI)[C@@H]1Cc1cc(Br)ccc1O 2356797927 OPVFBNNCNUNDHA-HNNBLKHNSA-N 729.173 9.732 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3[C@H]1C=C[C@H]4CC1 2356824138 GSWKIRPBJKKPDT-MECIVDNVSA-N 849.048 6.002 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](OCCO)CCCC1 2356873714 YIACRWMLMIQPLV-CEBNUMCOSA-N 794.093 5.399 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)NC(C)(C)C)[C@H]12 73158715 KABLNYFUJKBLHV-CWRLSHMXSA-N 537.785 6.953 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@H]1CC[C@@H]2OC(=O)COc1ccc(N(CCCl)CCCl)cc1 73390266 DXVAGWWNINMAJN-DIUBKPNJSA-N 577.593 5.950 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O)C[C@H]1O)Cc1ccc(-c2ccccn2)cc1)C(C)(C)C 84669158 JWEOYXHKHMATFT-NPHQGNLKSA-N 733.910 5.223 50 1 KKGF NCC[C@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](C/C=C\[C@H](O)CC3CCCCC3)C2)[C@@H]1CC(=O)O 85505504 BFSIVCYSFHTQQN-GYWMQQMVSA-N 692.044 8.617 50 1 KKGF biogenic,in-vitro COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CC[C@]2(C)[C@H]3C[C@H](OC(C)=O)[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)OC)[C@@H]3CC[C@@H]2C1)OO5 169358773 MSHYGLMWMVFSIW-FDPHXUHFSA-N 925.254 10.869 50 1 KKGF CC(C)(C)[Si](Oc1ccc([C@@H](NC(=O)c2ccccc2)C(=O)O)cc1I)(c1ccccc1)c1ccccc1 195224533 VYFPKISJECYQJA-MUUNZHRXSA-N 635.574 5.786 50 1 KKGF CCCCCCCCCCCCCCCCCCOC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 199913910 RYRLUKXHQCAGOM-UHFFFAOYSA-N 556.703 10.098 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCC1 221076984 JZEBTBLTIZKIAL-FADJLKOXSA-N 556.638 5.732 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@]14[C@H](C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(\C)C=O)C5=O)C3=O)C=CC(C)(C)O2 238767330 ORNMPVMTDJIPQS-ZYFKGFFNSA-N 546.660 5.707 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)O[C@@H]5CC[C@]6(C)C[C@H]7C=C[C@@]6(OO7)C5(C)C)CC[C@@]4(C)[C@H]3CC[C@@]21C 253635087 ROBCWKFPUJQMPN-WSSYXXIFSA-N 636.958 10.774 50 1 KKGF C[C@@H]1CC[C@@H]2N(C1)C[C@H]1[C@H](CC[C@@H]3[C@H]1C[C@@H]1[C@@H]3CC(Cl)(Cl)[C@@H]3C[C@H](Cl)CC[C@]13C)[C@@]2(C)O 504098382 SJFDHZXYUNDKRM-XWACYVSQSA-N 502.998 6.738 50 1 KKGF biogenic FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@H]3CCCCO3)nc2c1 586909666 HSSYEXIGMWBIIC-LJQANCHMSA-N 531.385 7.632 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(C(C)(C)NC(=O)CCl)[nH]c3cc21 587009498 IMJZNAYBRJFBID-UHFFFAOYSA-N 616.162 6.413 50 1 KKGF CC(C)(C)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O 587323570 RWLRLNMBCZIISD-FYBSXPHGSA-N 555.484 7.481 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534951 GOKYVYRWTDGJQU-WHUARKNTSA-N 564.147 7.237 50 1 KKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587709888 CWBMNVRMGKHJIU-LAJNKCICSA-N 531.438 6.846 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1ccc(Cl)c(Br)c1 962369341 CXQVTQAHNHIZCB-FQEVSTJZSA-N 514.714 6.199 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962571692 NWTCHPNOKKQHFW-RPFPBRBHSA-N 703.198 8.148 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](CBr)([C@@H]1Cc3ccccc31)N2C(=O)OC(C)(C)C 962707975 LSVBMBZTVZDZTJ-ZFWHIUCFSA-N 530.434 5.407 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)C(C(=O)O)=NN(c1cccc(Cl)c1)C(=O)[C@@H]2I 963176886 UJPFHEYTCMMHPY-QXGWMLRCSA-N 812.064 6.107 50 1 KKGF N#CC1=C(c2ccc(OC(F)(F)F)cc2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772575407 WQVUELUBRNMKQI-OAQYLSRUSA-N 552.393 6.561 50 1 KKGF CCCCCCCCC[C@@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772596908 SNZCABRUTZVTFC-JHQNGHDCSA-N 689.846 9.742 50 1 KKGF C=C1/C=C/C(=O)N(C)CC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1 1772605088 WUFQGUCTRKTIIH-YVNGNUDGSA-N 732.051 5.887 50 1 KKGF C[C@@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857540755 GVTXIROHZLSRJU-MRXNPFEDSA-N 539.482 8.483 50 1 KKGF C[C@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857571501 JZTZQAHLLSBBFY-INIZCTEOSA-N 533.359 7.150 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](Cc2ccccc2)SSC1 2356292203 FAOYHQYZNYHHSH-HOVZJOHSSA-N 602.822 7.701 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356293898 MDICNXLHDFEEMJ-USEWWEOVSA-N 813.055 7.059 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@H]1N[C@H]2CCC[C@@H](CSSC[C@@H]1O3)C2 2356300549 MZHWXVPSWNGRSE-LIYYGDMUSA-N 912.187 9.354 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCCC5(CCCC5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356363636 KZIOCCRFTCBLOS-BKKWRKOTSA-N 916.209 5.967 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@@](C)(O)C2CCNCC2)O3)O1 2356369394 WONCZZRXAVMZRG-FNEOVLFUSA-N 738.878 6.125 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1ccccc1 2356561368 AHYUEYJOUFLGQN-GSOZXGNUSA-N 611.918 5.740 50 1 KKGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@]5(CSSCC[C@@]2(C)[C@]31CC4=O)NC(=N)NC[C@H]5Cc1ccccc1 2356673346 HVRDEZJPIPGAFR-QLXPLACMSA-N 523.812 6.379 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H](Cl)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)=C[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@H](C)[C@H](O)C(=O)[C@H](C)[C@H](C)C=C[C@@H](O)[C@@H]2O 2356680732 SFTBIUYIRWPRME-PFEYVDCASA-N 931.686 6.896 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=NNC(=O)c5ccncc5)CC[C@@]43C)[C@@H]1CCC2=NNC(=O)c1ccncc1 2356688769 LTANJFVUAIWDNA-TVRKGBPISA-N 526.685 5.391 50 1 KKGF COc1cc(O)c([C@@H](C=Cc2ccc(O)cc2)C[C@H](CCc2ccc(O)cc2)OO)c(O)c1C(=O)C=Cc1ccc(O)cc1 2356753009 MPNYQBPECDEHJJ-SVEHJYQDSA-N 598.648 6.797 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1C1=CCN=C1 2356863096 VDPAVXGYFSSAIB-HMXXCEDJSA-N 846.013 5.245 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)c1cc2ccccc2o1 1859938 DVVBTBQPDKMSFZ-IBGZPJMESA-N 564.985 7.211 50 1 KKGF CCCCCCCCCCCCCCCCN(C(=O)C(F)(F)F)c1ccc(C(=O)NNC(C)=O)cc1 43706064 RYUQLGZUZOQIND-UHFFFAOYSA-N 513.645 6.844 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 95578130 BZJKLPFPEWITKC-WNUOPADZSA-N 513.118 7.644 50 1 KKGF C=C/C(=C/C(=O)C[C@H](C)C[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](C)[C@@H](C)OC(=O)C[C@@H](C)C1=C(C)C(=O)OC1=O)CC 96902235 FBVNXBCHCMKFIO-IVQVYTEOSA-N 604.781 5.222 50 1 KKGF COc1ccc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@]23[C@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 102957175 UEZXFIUUAOYLLH-UIZCQJMUSA-N 535.456 6.588 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O 150348749 RMYUEBFSQAJCFH-HFQFHOFTSA-N 805.120 7.434 50 1 KKGF biogenic,in-vitro COC(=O)CC[C@@H](O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 194961278 SFXFJEZXIQVKPD-IISNYHHCSA-N 539.463 5.668 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195350455 DFROLEZYMZMYDM-XLJNKUFUSA-N 571.919 10.871 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195491057 YZHKRXBIMOGRMG-XBZNOJLSSA-N 610.037 7.109 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O[Si](C)(C)C(C)(C)C)C[C@H]1O[Si](C)(C)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C 195519119 HNGJEOPMLZICAR-IATAYSHHSA-N 950.221 10.593 50 1 KKGF COc1ccc(O[Si](C)(C)C(C)(C)C)cc1[C@H]1OC[C@]2(O[Si](C)(C)C(C)(C)C)[C@@H](Oc3c(OC)cccc3OC)OC[C@H]12 211508068 YFOKOFWHLHCBCA-PYYPLINWSA-N 632.943 7.980 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C 255205825 DIXPDWXERFUNQD-CIQGJBQPSA-N 530.746 7.128 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299831791 RWPJHYYGAGYJMG-LMZFNGRGSA-N 846.465 6.345 50 1 KKGF Cc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(C)c2)c1 473154489 IANUKFIYWJQRJO-UHFFFAOYSA-N 546.812 8.721 50 1 KKGF Cc1c(NS(=O)(=O)c2ccc3nc([C@@H](C)c4ccc(CBr)cc4)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 586973117 FNWTUUIVHOLZQL-KRWDZBQOSA-N 580.508 5.208 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054579 GMCGIYREWSUOAH-QGOAFFKASA-N 509.400 7.438 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6nc7cccc8c7c(c6C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1)-c1ccccc1C8=O 587104476 WGWPGYGRKMMXBY-KOFHOLKHSA-N 642.167 6.999 50 1 KKGF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)nc3n2)cn1 587128385 MKEZKESPJMZKAW-UHFFFAOYSA-N 613.361 7.027 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587323746 SVJACDDGYINYOI-WIOPSUGQSA-N 530.346 5.660 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587618401 OLQYOYCRRCQXMW-RFUNPHQISA-N 616.179 7.959 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 587686277 CCUZPTBSVSJTLP-RFDPVMAFSA-N 610.565 8.470 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 587717448 WZPDPWQUUCSYMY-USZHRNOZSA-N 612.440 7.975 50 1 KKGF Cc1cc2c(cc1F)[C@](C(=O)NNC(=O)c1ccccc1)(c1c(-c3ccccc3)[nH]c3ccccc13)NCC2 962095869 XYVSCELUNYCSIQ-JGCGQSQUSA-N 518.592 5.133 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@]1(C)NCCc2nc3ccccn3c21 962984468 DCPLFIOEDAILHI-IOYJMGEOSA-N 667.945 6.370 50 1 KKGF O=CC1=COc2c(CSc3ncccn3)cc(Cl)cc2[C@]12c1cc(O[P@](=O)(O)OCc3ccccc3)ccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963079834 SKNLMVGRFOPVPS-YJKNBILVSA-N 888.291 9.098 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](c2cccc(C#N)c2)(C(Br)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367978 OBDJIMBRIPXDSF-NHZFLZHXSA-N 702.399 6.972 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCl)(c1ccccc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772824 AMADDOKBHMVLRO-LJAQVGFWSA-N 502.998 5.325 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc(CCCO)c5cccc(c65)[C@@H](SSCCC[C@H]3O)[C@@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356291678 AUIPNDIKACUGRY-FEMXFJSOSA-N 966.278 10.453 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@H]3SSC[C@](C)(O)CNCOc4c(OCO)ccc(c43)C2)c1 2356292317 OIZPIXIXKOCEQK-SVPHLCQNSA-N 948.217 8.036 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@H](O)C1 2356369666 TXMBBWNIZPCFPJ-MRUXHRAHSA-N 965.380 11.183 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356371656 NMBBGKGXVDLYGG-VKUKXFJCSA-N 785.123 7.016 50 1 KKGF CC[C@@H]1CC[C@]2(c3cc[nH]c3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@@H]2C1 2356614284 OOBVZQOHZBMRFU-UDPMEZPFSA-N 531.740 6.253 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)Oc3ccccc3)[C@H]12 2356651987 KOWXKUDNHFDQSD-HHJUGXNGSA-N 558.759 7.644 50 1 KKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)C=CC=C(C)CCC=C(C)C 2356660665 PVMQZQKZKCHZMP-UHFFFAOYSA-N 550.871 12.117 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356707137 IMLUWNIGOXGNKD-NFYSNTLJSA-N 897.173 7.591 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356714838 LBSCWHVDFSPREN-YYWDGOAHSA-N 688.957 5.737 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)c1O 2356737575 FBXJFSXQWQKROH-XGGMZKNQSA-N 738.965 8.227 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356742844 GFVVQXKYOUSWEY-FIFMTBGOSA-N 799.106 5.824 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356838893 MEGGYLBCRRSXAC-MIXABNQYSA-N 961.393 9.400 50 1 KKGF O=C(Nc1ccccc1)Nc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)cc1 27631672 OAWUPHJBBDRXNY-MUUNZHRXSA-N 703.977 6.844 50 1 KKGF O=C(SC[C@H](CN1CCCC1)SS[C@@H](CSC(=O)N1CCCCC1)CN1CCCC1)N1CCCCC1 28872872 INQMULBWBLBPFI-PSWAGMNNSA-N 574.948 5.975 50 1 KKGF c1csc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccs2)c1 40632250 IORQIXLFDRETPW-UHFFFAOYSA-N 542.950 6.370 50 1 KKGF COc1cccc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)\C2=C(\C#N)C(N)=O)c1 96916429 AYKCHXNWOJBVRQ-IKIXUCSISA-N 514.666 5.888 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccc(N(C)C)cc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 103011676 NMZAJJKXYKHVET-OBQNKHSESA-N 548.499 6.646 50 1 KKGF CCCCSSN(C(=O)c1ccc2c(c1C)O[C@@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103219600 LMQLUCPCICWIKC-FQEVSTJZSA-N 514.757 7.330 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 118922714 QDLRLYPWXMVZLU-DGMPTRKUSA-N 577.501 5.830 50 1 KKGF O=C(N/N=C/[C@@H]1NN(c2ccc(F)cc2)[C@@H]2[C@@H](Cc3cccc4ccccc34)CCC[C@H]12)c1ccccc1 253636486 IWRDBMLARBRACV-PASKSDOOSA-N 506.625 6.116 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC1)OO2 299848618 UBDMUQYNTPAHHZ-SSBDMDJJSA-N 620.780 6.194 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 299848725 WESCDBGGMVOYJU-HLIIKEMBSA-N 634.807 6.585 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)OCC#CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299864470 RJADINRFWGIZQM-YDOUTGMUSA-N 881.061 6.277 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C=C/CBr)[nH]c3cc21 586972768 BEFMPFKHRSOLMU-ONEGZZNKSA-N 575.371 5.390 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(C)(C)C)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190590 LZMLBGVINJOSMW-PBHFQNLYSA-N 618.863 7.287 50 1 KKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1F 587337368 VJUBHMAYZFSQEA-PXJZQJOASA-N 507.964 6.880 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl 587544321 NRRIUFHRNPMMDZ-IGKIAQTJSA-N 528.819 7.202 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 587671805 BCPLJRYCIASAGG-VWLHBSKXSA-N 520.281 5.360 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)ccc2O)N1 587673560 OGAMACVFWZEKKN-XYZCENFISA-N 508.023 5.229 50 1 KKGF Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br 587676004 DONDWXLJRYUJIT-BSEYFRJRSA-N 554.729 7.083 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 587737426 FJCAQXVPMJGNFZ-SVGGSPFTSA-N 739.094 6.409 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccc(Cl)c(Cl)c1)[C@@H](Cl)C(=O)c1ccc(Cl)c(Cl)c1 962396389 GQWPMGOBKHMPBD-SVBPBHIXSA-N 598.810 8.492 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962409858 XIMIEXMXZMEYOA-FVNZYIGWSA-N 689.164 7.093 50 1 KKGF Cc1cc([C@@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1CCc1cccs1 963042191 REPPZDDLLKPKHK-XLWWBGEVSA-N 687.208 8.430 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(N1)c1cc(Br)cc(F)c1C[C@H]2Br 963196194 SDRIQQNUZOWEMR-IYOUNJFTSA-N 557.563 5.423 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@@H]2O)cc(OC)c1O 2356353591 AEMQUFDKHUYILQ-MDEDVOCXSA-N 694.868 6.414 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 2356360874 QFRWYUGDTDFVAP-WJTBNPNNSA-N 636.832 7.743 50 1 KKGF C[Si](C)(C)OC[C@H]1O[C@H](O[Si](C)(C)C)[C@@H](OC(=O)Cc2cn([Si](C)(C)C)c3ccccc23)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 2356435385 XNWIAGFLIBXWND-UADDYFSRSA-N 698.243 7.647 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356539846 CAXXESPPODFQSZ-AGKNZJPJSA-N 905.274 8.162 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O 2356545629 LWGJGVMYMKRTML-XQDWQCRWSA-N 682.857 6.595 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)CC[C@@H]4CCC[C@@H]4[C@@H]5CNC[C@@H](C)O)c3)cc1CO)C[C@H]2N 2356654709 HPMNOSZERCAAMO-FWBZQYNCSA-N 923.344 7.726 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C=O)C2CCCCC2)CC[C@]3(C)O)COCC#CCC(C)=CCC1 2356667217 UGSPJQXPMNTZJI-IYDUYWKVSA-N 590.845 6.942 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)[C@H]3CSSC[C@H](CCO)[C@@H]4[C@@H](CO)C[C@H]1CC1=C3C(=O)C[C@]142 2356703093 LQMDFJMHSFIIIB-GRBVYPABSA-N 778.235 7.318 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](CCOC)([C@@H]2CCCC[C@H]2CNC)NCC2=C[C@H]1CCC2 2356771052 OLVVGKLGQCFKDE-SCUVVGPLSA-N 968.374 6.745 50 1 KKGF O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C1CCCCC1)NN/C=C1\C(=O)C=Cc2ccccc21 34098043 XOJFOWHGIKRDTA-KQWNVCNZSA-N 520.058 5.454 50 3 KKGF O=C1[C@@H](Cl)[C@H](c2cccc(Br)c2)N1c1c(O)c(Cl)cc(Br)c1Cl 1662035 FWVYSXLAUNTRDQ-RYUDHWBXSA-N 500.401 5.919 50 1 KKGF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCCN1CCCO[P@@]1(=O)N(CCCl)CCCl)c1ccc(O)cc1 29320169 XKZCMKCFCJOIAZ-UBISDZRYSA-N 571.526 7.330 50 1 KKGF C=C1CC[C@@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 83924192 XBOGIWAZQGMLND-UHANTFQWSA-N 515.861 5.989 50 1 KKGF in-vitro CC1(C)CC(=O)C2=C(C1)N(c1cc(F)ccc1F)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96908486 HVMFARKWXWDYLI-PMERELPUSA-N 573.603 7.118 50 1 KKGF CC[S@](=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@@H](OCCCl)C(Cl)(Cl)Cl 103219039 SWIRPNBNJSQCLP-NJHFVCTFSA-N 607.096 6.561 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)C[C@@H](OC)O[C@H]1CC(C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)=C1C=O 137309382 DRFPZBVYKVDYOL-RABPSWPISA-N 618.943 10.137 50 1 KKGF CC(C)Oc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 169325430 LXODXAYQTJLLIH-SICHLOQXSA-N 521.404 5.201 50 1 KKGF CO[C@H]1/C=C/C=C(/C)C(=O)Nc2cc(O)c(NC(=O)c3cccc(CCl)c3)c(c2O)/C=C(\C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 169718272 PRQNPPXXLFHHKT-BYDJUFGYSA-N 698.213 5.774 50 1 KKGF CC(C)CCOc1cccc2c1C(=O)c1c(OCCC(C)C)cc(NC(=O)CBr)cc1C2=O 206591902 WFFOTZLBJMONDL-UHFFFAOYSA-N 516.432 5.645 50 1 KKGF COc1cc(OC)c([C@@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(O)cc2)c(OC)c1 211522281 UBMQFEPVRWEBRN-SANMLTNESA-N 574.790 7.795 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCCCC(=O)OCC#CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299863203 OUXKEWVUOOSGKC-GEZDIYSTSA-N 869.050 6.182 50 1 KKGF Cc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1C 587189617 DOCFLGLQILYMPJ-PLNWXMPOSA-N 589.821 7.212 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C(c1ccccc1)c1ccccc1 587325167 CGKLEMYRAWPACS-LDNVYYCDSA-N 566.072 8.081 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)[C@H](Br)[C@@H](Br)c1ccc(F)cc1 587573082 VKJCPDCAJWUPMG-ACWWYGLDSA-N 616.252 7.427 50 1 KKGF COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587683443 HDPKSLKYSQNVBL-KUNJGFBQSA-N 557.847 5.491 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 587688593 MLEYEMFBKXOSDQ-BZQUYTCOSA-N 524.305 6.919 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 587712753 QLZXGUOLIRQJTJ-XYZCENFISA-N 560.021 6.542 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3ccc(F)c(C(=O)OCc4ccccc4)c3F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587943678 NCGKUCYLODBLTE-XOZUEVRPSA-N 611.638 6.405 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@](CCCCCCCl)(c2cccc(Br)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963184833 AMJOFRUFYBYOIE-ZJJOJAIXSA-N 663.008 8.735 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CBr)(c2cc(Br)ccc2O)N1C(C)=O 963328795 JBFAKBJBWRZIRO-DMUKBKCISA-N 847.535 5.597 50 1 KKGF Cc1ccc(C)c(-n2nncc2CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)c1 1772602672 RTFMOAVSPPHHMM-LHEWISCISA-N 626.680 6.053 50 1 KKGF COc1ccc(/C=N/NC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)c(OC)c1OC 1772635628 KHRMHLJJJBDNPP-LHRUSGROSA-N 611.030 5.515 50 1 KKGF O=C(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc(-c2ccc(C(=O)C(Cl)Cl)cc2)cc1[N+](=O)[O-] 1857538426 KNUIWKGCQRZBHI-UHFFFAOYSA-N 657.510 7.928 50 1 KKGF O=C(CCc1cc(O)c(O)c(O)c1)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857550309 ZKBVDRHUPONFEC-UHFFFAOYSA-O 598.744 6.967 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCOC(=O)/C(C#N)=C/c5ccc(C(F)(F)F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857566414 OLFRCLSQIZVJGI-URUXSBGHSA-N 745.879 10.106 50 1 KKGF COc1ccc(Cn2cc(/C=N/NC(=O)C(=O)c3c[nH]c4ccc(Br)cc34)c3cc(OC)ccc32)cc1 1857633817 HXGQFQFMZLQVND-IURWMYGYSA-N 559.420 5.284 50 1 KKGF Cc1cc2nc3c(nc2cc1C)[C@@H]([C@]12CCc4c([nH]c5c(C)cccc45)C1=C(C#N)C(=O)N2)c1ccccc1-3 1857762122 HRZGYHMHWMSRCU-OOOSNSGVSA-N 507.597 5.941 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@@H](C)NC(=O)[C@@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911578512 IIBUOWGJBQBGCM-AKJBCIBTSA-N 631.540 5.006 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356300037 KDSYVRLFZAFSFL-OWLGVTBUSA-N 946.245 8.975 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)CC[C@H]1CCN 2356314485 ONEXWUZTIISBCH-LHFGZPPBSA-N 744.073 6.144 50 1 KKGF C[C@H]1CSS[C@@H]2C=C[C@@]34C[C@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)[C@H]3CC1(CCCC1)C[C@@]41C=CC[C@@H](C)C1 2356356989 PJYPVJDDTCAMNC-YOIDSCRGSA-N 640.015 10.293 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NC1CCCCC1)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 2356384241 MKVYLPQCQMASCH-BWIZWMFYSA-N 789.073 9.175 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H]([C@H](CCc3ccccc3)SSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@]21C 2356419269 LVEXCXWMPTZWQP-HXQMUKQFSA-N 749.096 7.611 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2C[C@@H]([C@H](C)[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC24CCCC4)[C@]1(C)C[C@@H]3CNC(=N)N[C@@H](C)O 2356502092 XKPUODGPDDWHRG-YTEJBWBTSA-N 979.452 7.921 50 1 KKGF C[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C[C@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1O 2356641634 WKPXZZKUCLAECJ-UIMXFZKCSA-N 706.619 11.307 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356702843 VWTHUPHZZBEJGK-JBMDUJOKSA-N 744.127 6.524 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H]4c5cccc(c5)CSSC[C@@H](CC5=C6C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]62CC5=O)C[C@]31NC(=N)NC[C@@H]41 2356777685 BNYHKIVHSSVGSC-QKSQDYJWSA-N 714.101 7.175 50 1 KKGF COC[C@@H]1C[C@@H]2CCCC[C@]23NCOc2c4cc(c5c2O[C@H](O)[C@@H](C5)[C@@H]2CSSC[C@H](C(C)C)NC(=N)N[C@H]2C#C[C@]32C=C[C@H]1C2)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OCO)c1C#CC4 2356778163 NQWBMLXLYHSYEJ-NUGYPFMVSA-N 969.280 6.002 50 1 KKGF C[C@H](O)CN[C@@H]1CC[C@H](O)[C@H]2[C@@H](O)C[C@@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@H]4O)c3)C=C[C@H]2C#C[C@H]([C@H](C)Cc2ccccc2)C1 2356851636 QIBJWCHHQXXEQM-JYBNBLGPSA-N 913.260 5.800 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)[C@H](O)NC[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)[C@H](c3cc[nH]c3)CSSCO[C@@H]2[C@@H]1O 2356864286 VTCMXVATQHXSOG-AIUPIWJLSA-N 905.060 6.750 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3C1CCC4CC1 2356874751 YYTKEJQKPHGKHN-XCYXHNQCSA-N 851.064 6.226 50 1 KKGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2ccc(Cl)c(Cl)c2)c1 13779098 KVRLNPFFLBVSGJ-UHFFFAOYSA-N 512.353 5.018 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 49863665 OFFSTXXHFZWHDZ-MCAGSNNTSA-N 717.951 7.690 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 58623234 YQHVZAWAASWABR-HDTLSCSRSA-N 537.505 5.338 50 1 KKGF C#CCO/N=C(/C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 95585001 ONLWGJPNWYFSQR-QLYUZHBISA-N 629.791 5.883 50 1 KKGF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@@]2(C)[C@H]3CC[C@@H]2[C@@](O)(CCl)[C@H](O)C[C@@H](C)[C@@H]2C[C@H]2C)C1 136445572 TWHOFQMFCFCUBZ-LCJVLLAYSA-N 541.213 5.618 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](OO)C(=O)[C@@H]2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)C1(C)C 137053336 UMLOMKCBVQTPOG-QOUABQTBSA-N 516.763 7.323 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 150348642 DKSBHUBZUKWLRK-PEOOIENNSA-N 931.323 8.909 50 1 KKGF biogenic,in-vitro C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C 195351748 VBHUWAKWJKICLR-GCEOKDQPSA-N 654.946 6.662 50 1 KKGF COc1cccc(F)c1CN1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 199801413 UDSOQCWAMOZOQI-JDXGNMNLSA-N 628.825 6.420 50 1 KKGF C=C(CCCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 299821747 LWABSVMRKSAHOW-LWXWOMNKSA-N 537.225 7.290 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)OCC(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473110868 WZLHBSQLMMYTKF-BPYQGHQBSA-N 973.207 8.958 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccccc3OCc3ccc(Br)cc3)nc2c1 586998702 NUWMOICMVJAGLD-UHFFFAOYSA-N 584.202 8.991 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587039259 DLNWHYMRCPXURD-LSDHHAIUSA-N 500.356 6.929 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)(F)F)cc1 587333623 WPWQSBGTZRYPNG-XTEPFMGCSA-N 559.943 7.331 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c1C)CC2=O 587464983 DJAOVTIAEHZTID-SANMLTNESA-N 524.391 7.107 50 1 KKGF Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)ccc1Br 587540639 PYKMRZJMHUTHJA-LSYYVWMOSA-N 552.852 6.967 50 1 KKGF COc1cc(Br)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587674237 VGQFHIJGTIHRGR-GIGQVBGESA-N 552.076 5.541 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O 587940868 QBKBGCBJNZQEKI-SDEXRPAHSA-N 813.386 5.001 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CBr)(c2ccc(F)cc2O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962472368 FVRZTCNSWITSJW-MXBOTTGLSA-N 603.444 5.825 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CCl)(c3c(-c4ccc(Cl)cc4Cl)[nH]c4ccccc34)N12 962630118 DUNMPCQPZWPTLU-KYJUHHDHSA-N 564.900 7.271 50 1 KKGF C[C@@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949128 BIMWQHYMSNNZTP-WHLCRQNOSA-N 529.002 6.215 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23c2[nH]c4ccccc4c2C[C@@H](C(=O)O)N3C(=O)c2ccc(Cl)cc2)C1 963016677 LLGVKAFSXAFTMJ-UCMMCREJSA-N 781.131 8.478 50 1 KKGF Cn1c(O)cc2cc([C@@]3(CCl)c4[nH]c5ccccc5c4C[C@@H](C(=O)O)N3C(=O)c3ccc(Cl)cc3)ccc21 963018029 NDYVRGYLLQJQEM-OUTSHDOLSA-N 548.426 5.653 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)(c2ccc(OC)cc2)N1 963158175 NDARPBFYEKKUIA-MSEJLTFDSA-N 604.150 6.458 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@H](c2cc(CCl)ccc2O)N1 963166338 WOTDBMIYWIDNCT-CQTOTRCISA-N 590.123 6.501 50 1 KKGF Cc1ccnc([C@@]2(CBr)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c1 963579897 JUOJHOKEVZTQBK-HHHXNRCGSA-N 583.408 5.700 50 1 KKGF COc1cc(OC)cc([C@]2(CBr)c3c(ccc(OC)c3OC)CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c1 963729637 KCHBAFNIEPCIDZ-SSEXGKCCSA-N 593.474 5.108 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1ccccc1C(F)(F)F 963905688 ZTAJXEMKHXJWST-OSPHWJPCSA-N 542.392 6.289 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)([C@H](C#N)c2ccccc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948533 VGAFFXZUYLPWBF-BVIDKZMTSA-N 697.721 5.721 50 1 KKGF C[C@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857563060 RUWGTEBIZMIYML-INIZCTEOSA-N 526.427 6.753 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCC(C)(C)C 1857596923 OUQBEKPJSQPOED-VOLSFDEHSA-N 673.971 9.906 50 1 KKGF CC1(C[C@@H]2CC[C@@]34CSSCc5cc6c(cc5C(N)N)C#CCc5[nH]ccc5C(=O)C[C@@H]6c5cc(ccc5O)CCOc5cc(ccc5O)CCC(=O)C=C[C@@]2(C[C@@H]3O)C4)CCCC1 2356355168 DQWNVGFETRFCNN-ANFNQGKDSA-N 900.220 9.737 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@@H]5CSSCO4)[C@@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356370370 PCGLNVYRXAGQKG-BHPHPBJTSA-N 742.909 5.362 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]4O)[C@]65C 2356372586 IHYWQHQHORQMJZ-MTABQQFASA-N 896.222 5.925 50 1 KKGF COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3N(CCBr)CC2)CCN1CCBr 2356493482 UUWCNAWTMKECEA-MEKGRNQZSA-N 808.608 8.693 50 1 KKGF CN[C@@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1cccc(O)c1 2356498058 HZJZSOFWNCDUKN-QQYYQLIRSA-N 659.870 8.281 50 1 KKGF CC[C@H](O)[C@@H]1SSC[C@H]2CC3=C4C[C@H]5C[C@H](CO)[C@H](CCCO)[C@@]4(CC3=O)[C@@]5(C)CCSSC[C@@]3(C2)NC(=N)NC[C@@H]3Cc2cc1ccc2CO 2356514733 LSMASZNWKPBFRM-SKQNTGOLSA-N 776.169 6.275 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@@H](SSCCC[C@@H]3O)[C@H]4O)C=C[C@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356580513 WPWYHEJIOKBNTR-JQPZQSPESA-N 990.300 11.021 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356610869 ANKFESSWVMTSCB-UHDXPZJRSA-N 783.107 6.506 50 1 KKGF C[C@]12CC[C@@H]3[C@H](C[C@]3(C)[C@@H]3CC[C@H]([C@@H]4CSSCc5ccccc5CC[C@H](c5cccc6cocc56)CNC(=N)N4)C3)C(=CCO)C[C@]3(CC[C@H](CC[C@]4(O)CCC[C@@H](O)C4)C3)[C@H]1O2 2356707146 IMNUKFQCXGIXIW-OFBZFJEASA-N 910.344 11.078 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCC[C@H]4C=C[C@@H]5C[C@@H](c6ccccc6)C[C@@]4(C#C[C@@H]3C=C12)[C@@H]5CO 2356818784 DWESZVYYLPEPAH-YDZYGETOSA-N 974.343 7.893 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356824798 GYXHHVMBCVKXEA-FBHGAZRBSA-N 823.139 6.121 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCCC6)c(=O)oc5cc1O2)[C@H]43 2356829939 JCIPUFWUZBFOCZ-AHQYEZJPSA-N 915.188 5.361 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356838894 MEGGYLBCRRSXAC-XPQFEBFDSA-N 961.393 9.400 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@@H]4[C@H](C(C)C)CC[C@@]4(C)CC[C@@]23C)C1(C)C 2356873561 ZFSNVDPFIMUXQN-JVAZAJNUSA-N 500.764 8.064 50 1 KKGF COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ncc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC 27638502 NFBBHXNXFUAXAY-LJQANCHMSA-N 649.060 5.720 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873665 SQTOJVAIUPEFBN-RPWUZVMVSA-N 643.350 5.826 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(C)C(=O)O[C@@H]1C3 85593951 QFUAQSSBIZDZDH-CJTKCQPWSA-N 662.790 5.109 50 1 KKGF biogenic,in-vitro C[C@H](C/C=C/c1ccccc1CCCNC1CCCC1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 150343984 DJRUTTMKCVFYCB-HVPMRVLPSA-O 996.194 6.051 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCS(=O)(=O)CC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297025 JSQFVBNTUYNWJV-VDWYIRDDSA-N 654.863 5.682 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)NCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169302710 QDNYGRJDRIMPOK-CWHXRNDKSA-N 633.823 5.774 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(COC(=O)c3ccncc3)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169365230 QPNLRZTXRIDAFS-BNZDCOLSSA-N 711.893 7.136 50 1 KKGF CCCCCCC[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621813 XCQVIBNYJYFVME-NCYKPQTJSA-N 674.961 7.861 50 1 KKGF COc1ccc(C(OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c2ccccc2)c2ccccc2)c2ccc(OC)cc2)cc1 195411156 QJCWYBLPVLZEAA-UZNNEEJFSA-N 625.838 7.898 50 1 KKGF CC(=O)O[C@H]1C(=O)[C@]2(C)[C@H](O[Si](C)(C)C)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 299810421 WLFZGWHFSSYBPC-RSJBLIOHSA-N 926.101 5.595 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(C[C@@H](C)CC[C@H]1C(C)C)OO2 299847090 GVEWMTYYJNQRSH-KDADCKHISA-N 690.915 7.713 50 1 KKGF C[C@H]1[C@H](OC(=O)CCC(=O)NCCCNc2c3c4ccccc4nc-3n(C)c3ccccc23)O[C@@H]2O[C@@]3(C)CC[C@H]4CCC[C@@H]1[C@]42OO3 473122462 JCYNORZWOMLFCW-IXIYCXTMSA-N 656.780 6.035 50 1 KKGF CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586949205 PMRCJSDJFWVNCD-UHFFFAOYSA-N 579.569 7.104 50 1 KKGF CC(C)(C)OC(=O)Nc1ccc(Cc2nc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cs2)cc1 587014546 SOZQEEGJRCTFNB-UHFFFAOYSA-N 532.560 8.282 50 1 KKGF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587140707 JGKLFCKSJJVEMX-KRWDZBQOSA-N 521.936 7.079 50 1 KKGF Cc1cc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2cc1[N+](=O)[O-] 587189445 AZIHHKOTSBERFW-PBNKNIQMSA-N 620.791 6.812 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587327075 OJEUNCGDVHRAKN-YRUQASFTSA-N 730.233 6.053 50 1 KKGF COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335211 OAZHGAAAHMKRFZ-NZQKXSOJSA-N 520.282 5.237 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccccc1N1C(=O)c3ccccc3C1=O)CC2=O 587456271 LVLUTBIJTTWRMG-MHZLTWQESA-N 520.379 5.401 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)CC2=O 587460632 OGGDGMDQSACRCX-SANMLTNESA-N 529.376 5.993 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541936 DUQRRXYDNQBGPZ-LBNVMWSVSA-N 520.368 6.128 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587546314 VUOYQCXNYXBHSE-WNJJXGMVSA-N 503.982 6.294 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 587672769 HOHXVUIUZIYREJ-OZAJXLCCSA-N 611.693 6.309 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587718892 OZSFHRDUAMDSBS-ZTVTVFRUSA-N 624.994 5.904 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc2c1 587784323 PXNLVXYRSISNDG-DHZHZOJOSA-N 531.344 8.732 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 587855246 IIURLHKNWXEOOY-QVQLBTGDSA-N 510.413 5.513 50 1 KKGF ClCCCC[C@@]1(c2ccc(I)cc2)NCCc2cccc(-c3ccccc3)c21 962669987 TWPRKMPPCJSRTF-VWLOTQADSA-N 501.839 6.757 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2cccc(Cl)c2)([C@@H](C)Br)N1 963163888 SCJHZDRLCCKMLN-NELYLQANSA-N 667.047 7.647 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCl)(c2ccc(OC(F)(F)F)cc2)N1 963191113 YLDSGTGSOFBDOT-UYAOXDASSA-N 530.292 6.509 50 1 KKGF CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)cc1 963580652 KXVSQLMUCOJJST-RRHRGVEJSA-N 759.294 9.065 50 1 KKGF CC(C)[C@@]1([C@@H](C)Br)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963584076 SDOVMEKWUZDXGT-PUAOIOHZSA-N 548.403 5.993 50 1 KKGF Cc1cc(N(CCCl)CCCl)ccc1[C@@H]1c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963903627 CCEVVCPINQVKKL-ATIYNZHBSA-N 535.512 6.313 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3ccc(O)cc3)nc(Cl)nc21 963927723 CUEVUUBXNJHCJE-XMMPIXPASA-N 528.838 5.173 50 1 KKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963929082 STBDJMQVHCHIQO-WNCULLNHSA-N 554.920 6.492 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](C)([C@H](Cl)C(=O)Nc2ccccc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948320 SHDPDCINCUVJHB-PNNMSYCPSA-N 671.285 5.285 50 1 KKGF O=C(c1cccnc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br 1772609649 YHEGNJPJBFFQTI-GHVJWSGMSA-N 550.123 5.769 50 1 KKGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 1772626825 OSTDGSPYWKILAD-FOKLQQMPSA-N 514.976 5.346 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](Cc2ccccc2)(CCN3)SSC1 2356320609 UYWAPJPQHJEKLH-NHOCJEJCSA-N 602.822 7.383 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CC[C@@H]5C=C[C@@H]6CCCC7=C1[C@@H](C4=C5[C@@H]76)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356364523 XUEYWSMJYNTHHT-YZVVCXSJSA-N 884.266 6.991 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356372267 AVTINTRWABOWKF-RPEIJXQQSA-N 873.185 5.202 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356441952 JKRVPFRVJGLEHE-PXNXSBTJSA-N 902.271 6.268 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)CN[C@H](C)CCOC 2356575542 RPAPKNHASJOCJU-BOGSFXKJSA-N 735.063 6.556 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12CC[C@H](C(=CC=CC(C)=CCC=C(C)C)COC(C)=O)[C@@H]2O 2356611142 LMEBPARQXLCYCI-FOSDQHAESA-N 682.983 9.233 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356740580 TVIHWJYNGLYMIW-WOXLLIODSA-N 887.174 8.885 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C=O)C1CCCCC1)CC[C@@]2(C)O)CCC=C(C)C 2356753382 SQJUXKPEEVKRID-QPSUQTEPSA-N 554.812 6.531 50 1 KKGF CCCCCC[C@H](CCl)c1sc(-c2csc(CCNC(=O)OC(C)(C)C)n2)nc1C(=O)OC 17257975 XKVRFQGJQJYOLV-OAHLLOKOSA-N 516.129 6.413 50 1 KKGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOP(=O)(Oc4ccccc4)Oc4ccccc4)[C@@]13OO2 100831061 ZXZAJJJYOSBQGV-UQCWTDEESA-N 504.516 6.275 50 1 KKGF 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C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(S(F)(F)(F)(F)F)cc(Br)c7[nH]6)[C@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C 586914625 WWPZARMLFOINJZ-PFTHWRMZSA-N 773.700 7.888 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)ccc1Cl 587544651 FMWGYJAIJWIZPM-NQIIRXRSSA-N 513.693 6.316 50 1 KKGF COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587689430 SJQKTJXJZVLIEE-CPKIHRHESA-N 504.827 6.363 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C)cc1)([C@H](Br)C(=O)c1ccc(C)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962706973 MVPVYQIRPKJYRS-ZFEZZJPFSA-N 666.534 7.928 50 1 KKGF C[C@@H]1C(C=O)=CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1[C@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971356 ICLUPOSULWKABM-LZVBSIPISA-N 654.151 5.582 50 1 KKGF C=CCS/C(NC)=C(\C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973454 WGONPJVBJFXXOT-ATPLWCKXSA-N 644.147 6.286 50 1 KKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089306 GUZABRATOGOKBI-KIVZLOICSA-N 651.228 7.536 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CCl)(Cc2ccccc2Cl)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963096791 OBOSSGYHCNGBFZ-PUDHBBIYSA-N 592.566 8.320 50 1 KKGF COc1ccc([C@]2(CBr)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963241484 UIESJXGLBMPPNY-UVMFRMCBSA-N 734.512 6.125 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2cc(Br)ccc2O)N1C(C)=O 963328796 JBFAKBJBWRZIRO-HJRZCVLXSA-N 847.535 5.597 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@]2(C(C#N)=COc3cc(Br)ccc32)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368717 SPYLZXWSROIEKL-MFACQUFMSA-N 649.497 6.547 50 1 KKGF COc1cc2c(cc1OC)[C@](C)(c1cc(Cl)cc(S(F)(F)(F)(F)F)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795578 JJBOGZRWUWXMIP-NDEPHWFRSA-N 615.020 8.027 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CCCCCCl)c3ccc(Cl)cc3)nc(Cl)nc21 963929283 UNEPASIIHKRACT-MUUNZHRXSA-N 558.941 7.525 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)/C(C#N)=C/c5ccc(C(F)(F)F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857618034 NFKPQJFESKLHEA-PYZHFFOYSA-N 731.852 9.716 50 1 KKGF Cc1ccc([S@@](=O)C2=C(c3ccccn3)OC(NC(=O)C(F)(F)F)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 1857758917 QYEWXCVGWCGREN-XNAIVKEXSA-N 554.506 5.002 50 1 KKGF CNCc1c(O)c2c(c3c1CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 2356317484 VMVNJACIQVYSMQ-KJQFOFRDSA-N 927.202 8.511 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C(=O)Cc2cccc4c2CC(=O)N[C@@H]4N)CC[C@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356353677 BILODWGXWBUWGW-XKNAYMCBSA-N 787.101 6.758 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356354225 HQWLZJXSSIRTNC-BPJSHEMKSA-N 769.124 7.514 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(CCO)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)C5)c1O 2356356924 OKYYCYDLMBRMFX-CWZWLKMQSA-N 837.066 7.606 50 1 KKGF C[C@H]1CSSC[C@@H]2C[C@H]3[C@H](C[C@@]4(CCC5(CCCC5)C4)C[C@@]34C=CC[C@@H](C)C4)[C@@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)C2 2356372827 NDMKFIDVESFROG-FZLPWNFGSA-N 670.085 11.154 50 1 KKGF C[C@@]1(C2CCCC2)CC[C@H](O)[C@]23[C@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CC[C@H](Cc5ccccc5)C[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@@]3(O)CCC1=CC(=O)OC1 2356739579 KPNPXRWTOGYWEP-WPTHGMJASA-N 949.373 11.263 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC2(CCCC2)[C@@H](c2ccc(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356838632 MBTGZCGOFBGVBF-QALYSUAOSA-N 559.794 6.907 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@@H](O)SSCNC3=CC(=CCN3)C2)CCCC1 2356849919 PNJVWOJMWBMLLT-UDRZNVOXSA-N 717.010 8.476 50 1 KKGF N#CC(=C(/N)Sc1ccc(-c2ccccc2)cc1)/C(C#N)=C(\N)Sc1ccc(-c2ccccc2)cc1 40461336 JCEUCSDNCRTHFD-QAVVBOBSSA-N 502.668 7.293 50 1 KKGF C[C@@H]1CC[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)C5(CCCCC5)SSCC[C@]2(C)[C@]31CC4=O 85549526 GTSKBENVCHLGSC-UDVSYAEXSA-N 501.806 6.403 50 1 KKGF biogenic,in-vitro COC(=O)CC[C@H](O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 169304679 SFXFJEZXIQVKPD-ZXCBWOCBSA-N 539.463 5.668 50 1 KKGF CCN(CC)C(=O)OCC(C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169359690 ULEJCSSYKDQQPJ-JUHXSOIFSA-N 705.930 7.362 50 1 KKGF CCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 238750225 AIQQMANOGBFNOQ-IDUOUHNJSA-N 896.754 12.924 50 1 KKGF O=C(NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCCCCCC1)OCC1c2ccccc2-c2ccccc21 587235943 FFWVHMAFIHSEDM-UHFFFAOYSA-N 670.542 10.461 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320102 DTPMNYPGCDOSNQ-REWPJTCUSA-N 526.185 6.496 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539428 WJEBKWXAWFSOLN-UWYNZWELSA-N 525.395 5.984 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1C[C@H]1CCCO1 963175792 MQWPNDWAEPEKLC-LDJQZATESA-N 505.364 5.037 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](C)(c2cc3c(cc2NC(=O)[C@@H](C)Cl)OCO3)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938806 QPWLQLFFUPFBLX-ZKQCLZQASA-N 729.321 5.382 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(C[C@H](CO)CCCO)CC7)[C@H](O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356333042 NFOWMKPCTDKALR-MCPNDHHHSA-N 940.238 8.638 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]([C@@H]1C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC2 2356357508 SDEJRMFZZXDSSI-NLEGSPCKSA-N 752.956 6.030 50 1 KKGF CO[C@@]12C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@@]34[C@@H](C1)C(C)(C)O[C@@]4(CC=C(C)C=O)C2=O)C(C)(C)[C@@H](C)O5 2356392011 LLUOWYAXWXVGKY-LEXMSTMVSA-N 576.686 5.270 50 1 KKGF CO[C@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@H]1C(=O)[C@]3(CC=C(C)C=O)OC2(C)C)OC(C)(C)C=C4 2356445818 PSPHEZYRWQNMDW-VNUDVGBCSA-N 576.686 5.332 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@@](C)(O)C1CCCC1)C3 2356726635 ZXDFOXHSRBYEJH-VGFQKXGPSA-N 699.797 5.365 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]15CCCC[C@@H]1C[C@H]([C@H](CO)OC)[C@H]1C=C[C@@]5(C#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)C1)CC[C@H](O)CC(=O)CC2 2356756152 ZIMCKGDDUXNULR-BDEYAHBJSA-N 983.307 6.043 50 1 KKGF CCCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@H](C)[C@H]1CCC(=O)OC 2356826849 HKUFOFCGDABZAJ-PIPMEXSNSA-N 620.750 5.992 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356829361 IXRSIWAVHKHRSU-GABXKREBSA-N 879.247 7.448 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](C2(N3C=CNC3)CCCC2)SSC1 2356865751 WMFGYVHIUNCMLD-DAVDEKRISA-N 648.895 7.105 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@@H]4c4cccs4)n3)cc2)ccc1Cl 5579472 UMKKROJMEXWXGO-SFTDATJTSA-N 566.513 6.030 50 1 KKGF c1ccc2cc(CNCCCCCCNCCSSCCNCCCCCCNCc3ccc4ccccc4c3)ccc2c1 26673702 RQMDGWTVCLOENV-UHFFFAOYSA-N 631.012 8.554 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CCCCC1)OO5 43587514 HOQYFLUEEHNNIH-HHMWVXOWSA-N 603.841 7.396 50 1 KKGF Cc1ccccc1/N=C(\OCCN1C(=O)c2ccccc2C1=O)SS/C(=N/c1ccccc1C)OCCN1C(=O)c2ccccc2C1=O 49898776 IFQNTFCZJCZFHV-ATXIYDNESA-N 678.792 6.986 50 1 KKGF Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2)ccc1[N+](=O)[O-] 73278889 NNGASWAALMEXJF-UXZSZYKQSA-O 560.074 5.951 50 1 KKGF CC(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3c(F)cccc3F)cc2F)c2c(N)ncnc21 149826985 JNSAQJSVFNQULZ-ZKTNYTPDSA-N 561.568 5.382 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 198023528 JVPRJGVDJLHHPG-ZJVQDZCDSA-N 672.945 7.985 50 1 KKGF CCCCCCC[C@@H](Cl)[C@@H](CC[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O 231928775 QQYZBYZNIRPGDE-BHDDXSALSA-N 571.626 6.860 50 1 KKGF O=C(N[C@@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 587221102 FOKNVDPGPVCUTK-SANMLTNESA-N 650.467 9.611 50 1 KKGF O=C(Nc1ccccc1)[C@H](Cl)[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323489 KONWRNMMIAOQJX-MDZVADFISA-N 546.938 5.940 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531123 IMGAPMIPTFMWMR-XIFFEERXSA-N 518.637 7.264 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1F 587559833 ZKAQBEBZCFEWFE-NQIIRXRSSA-N 508.137 5.546 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 587672065 CTMAHIADQPKNNU-WQAAWYFHSA-N 583.424 7.095 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]2Br)N1 587687266 YSWPJSXJGBLFFM-KOHNOGLQSA-N 506.254 5.158 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 587714401 PVFLJPHCFYKWGT-ZAMGYDSWSA-N 529.803 7.031 50 1 KKGF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587948453 CVQZWGVISZDCPB-ULYRPOKDSA-N 502.549 8.505 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12C=C1CC[C@H]3[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@]3(F)[C@@]1(C)CC2 961746992 DYBJGUSLDSPKRF-HHGPZGPHSA-N 713.331 7.367 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CCCCCl)c3ccccc3C(F)(F)F)c(O)c2C(=O)O1 962938930 XWDKOJDECWHGJG-KNWJZZRSSA-N 650.477 6.970 50 1 KKGF Cc1cc([C@@]2(CCCCCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)ccc1Br 962962564 WDROFWASBZAVGG-XMMPIXPASA-N 530.856 7.080 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2ccc(Cl)s2)N1C(=O)c1ccc(Cl)cc1 963011881 OSPIQFLFUVMENG-KOSHJBKYSA-N 519.837 6.170 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](c2cccc(OC)c2)([C@@H](Br)C(=O)c2cccc(OC)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963366318 KGQOAOWRMVLAQB-OMHJDOQHSA-N 762.653 7.648 50 1 KKGF Cc1cccc2c1[C@@]1(C=C(CO)OC3=C1OC(N)=C(C#N)[C@H]3c1ccccc1C(F)(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863043 MQZYHUQXCVZXRW-IVGURBJWSA-N 639.627 5.472 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3ccc(-n4cc(Br)cn4)cc3)nc(Cl)nc21 963929059 SGDALQYICYPPCB-MHZLTWQESA-N 657.798 6.416 50 1 KKGF Cc1ccc(-n2nncc2CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)c(C)c1 1772640778 ZBUSPEBPCSNXIR-LHEWISCISA-N 626.680 6.053 50 1 KKGF Cc1ccc([C@H]2SCC(=O)N2c2ccc(OCC(=O)N/N=C3\C(=O)N(CN4CCCCC4)c4ccccc43)c3ncccc23)cc1 1911581625 PUWDMWFVDUJTKX-ANHJAGLSSA-N 634.762 5.011 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCC4(C[C@@H](O)CO)CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356301090 QZIVLNAUSJVSOP-FTYLMBNQSA-N 918.235 9.099 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356321532 WZOIYUSZMPIIOC-UEPYRXJMSA-N 834.117 9.713 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@H]2CSSC[C@@]3(NC(=N)NCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356369612 RZLVWQARDAHDBP-MEWOJZFFSA-N 782.982 5.392 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C1)[C@H]2CCC(C)C 2356370216 NJOQOVRXKKKSQC-KQKVRTMUSA-N 759.092 7.542 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C=O)[C@H](CCCO)C[C@@]3(C)O)[C@@H]2O)COCC#CCC(C)=CCC1 2356371530 LDQNLPZZUAQZKQ-INTFRCBISA-N 580.806 5.380 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 2356404416 NEHSJAVXGQMVJK-DVROQPCOSA-N 637.729 10.523 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 2356699467 UZOSLJNYISOLSY-FIUDUILTSA-N 549.546 5.837 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356733063 RSXNXHYLDZQBPY-IFSUCCCRSA-N 701.005 5.933 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CCC6(CCCC6)[C@@H]5O)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356779536 VGORGWHFVNVLNK-ZSKMUNRHSA-N 972.273 5.718 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4CC5=C[C@@H]6C7(CCCC7)CC[C@@]6(C[C@@]6(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]6O)C3=CCNC(=C53)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356864609 VXBGIUBMTYLLNL-MDPUPXLDSA-N 881.082 5.077 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 42965631 IMSIWKMMYZHGIP-GZGKTTGISA-N 607.755 6.081 50 1 KKGF CC(=O)O[C@@H]1C[C@@H]2CC3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)O)[C@@H]21)OOC1(CCCC[C@H]1C)OO3 64380872 CGOMIUHGMLLBAL-JVHGGOOESA-N 576.771 7.201 50 1 KKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C\C=C/C(C)=C/C=C/C=C(C)/C=C\C=C(C)/C=C/C=C(C)/C=C\C=C(/C)C=O 70454575 FPLASDSFNINBIY-QETLVAEPSA-N 548.855 11.893 50 1 KKGF biogenic,in-vitro N#Cc1ccc(C(F)(F)F)cc1/N=N\N(C(=O)Nc1ccccc1)c1cc(C(F)(F)F)ccc1C#N 84587383 CXKRKFHHQMEKQL-YHZPTAEISA-N 502.378 7.205 50 1 KKGF CCCOc1c(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Br)sc(C(=O)N/N=C/c2cc([N+](=O)[O-])ccc2Br)c1OCCC 95536776 OHFCSPXSOXMXMK-HZUVFDMRSA-N 740.387 6.195 50 1 KKGF O=C(N/N=C/c1c(-c2ccc(Cl)cc2)nc2sc(-c3ccc4c(c3)OCO4)nn12)c1ccccc1 96929560 NPLLAVIRVOMPQS-UVHMKAGCSA-N 501.955 5.271 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc21 148852109 UETBUVYLRUIFIP-NNVROAHOSA-N 540.574 5.602 50 1 KKGF CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](CCCCC)C32CCCC2)C1 150347453 BTAPTQCIYNXGJT-PANUOCAZSA-N 937.367 11.052 50 1 KKGF biogenic,in-vitro O=C1[C@H](Cl)[C@H](c2ccccc2Cl)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150587004 VRBMXSWWVLWSPY-CWTKIQHKSA-N 765.322 10.138 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2 169299305 INDBPULSIXDSCZ-LOULNAIUSA-N 523.998 6.744 50 1 KKGF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587203357 MHAYKFQZBMYHFL-UHFFFAOYSA-N 541.340 7.500 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2ccc(CBr)cc2)[C@@H]1c1ccc(F)cc1 587324389 YIVBJCDQXLCOGP-IAPPQJPRSA-N 503.367 6.729 50 1 KKGF Cn1cc([C@@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587326889 DGQKFGSQCPGNGT-AJQXRUTDSA-N 626.581 8.395 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O 587452535 NVVIYNGURNHATN-ULZKSFBASA-N 564.147 7.048 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587688767 OAIKRTZEOFNVEL-ITNZAGEZSA-N 501.827 5.980 50 1 KKGF CN(C(=O)NC(=O)c1ccc(Cl)cc1Cl)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 653913895 PKQXSTQYGAGCFW-LODFRUGASA-N 612.339 6.238 50 1 KKGF CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)c1ccsc1CCN5Cc1cccn1C 962394828 BNOXGELCFPKMBH-BTJLHYOQSA-N 669.284 6.701 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(-c3ccc(Cl)cc3Cl)o1)N(C(=O)c1ccccc1N)CC2 963139904 LVONRPFMAMCDLW-LJAQVGFWSA-N 616.339 7.190 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](c2cccc(Br)c2)([C@@H](Cl)C(=O)c2cccc(Br)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963225625 ANXJXZGMOIVOAT-UJNUFZGESA-N 891.909 8.728 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@]12c1[nH]c3ccccc3c1C[C@@H](C(=O)O)N2C(=O)c1ccccc1 963413514 IOVOOMNIFGGWPR-NHWZYIIXSA-N 518.730 6.479 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OC 1857608917 CCJGXDACMMKOKT-GWEXNCIJSA-N 617.863 8.490 50 1 KKGF COc1ccc(-c2cc(-c3ccc(O[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)n[nH]2)cc1 1857653953 MJJPWGQHMXLESE-BNKHSPGOSA-N 532.637 6.339 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CC[C@H](CCc4ccccc4)C[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356291772 DPWHXRIQAKJSJD-HGLXEKNESA-N 984.294 8.759 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSSC3(CCCCC3)c3cc(O)c(OC4CCCCC4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356351181 RURIAEKJFBPVMU-KRXZDERUSA-N 692.937 6.619 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356362627 GSODGMODDQYBSA-VVCXWPQPSA-N 757.069 5.972 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356383977 HGJXSAMCAIVHEL-LOBGCRPBSA-N 819.140 7.057 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H](C)CSSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356426093 POEXFCCHSZDDPU-ULMLRDRMSA-N 630.876 8.296 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 2356538874 UIPOWAZXHADFPA-BEYXZDBGSA-N 634.816 7.519 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O 2356569491 MSXALXJYQQPVDK-BIRZXAFVSA-N 640.516 7.295 50 1 KKGF COC(=O)[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356638876 UXDZXRKJSZVQHR-VGCAHQGESA-N 516.719 6.135 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@H]2C=CC[C@@H]3O 2356775387 KTHGSNJOJUQWJF-ODWLGQTJSA-N 936.295 5.862 50 1 KKGF CCCCCCCC(=O)NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F 43443437 KNVUSDKYMAFCHU-UHFFFAOYSA-N 554.294 5.868 50 1 KKGF CSc1ccccc1/C=N/NC(=O)c1cnc2ccc(F)cc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C 49763268 GJFJADUTCLXYGZ-VURWSNAVSA-N 575.735 5.911 50 1 KKGF COc1ccc(Br)c(C(=O)N/N=C/C2=C(Cl)c3ccccc3[C@@H](c3ccc(Cl)c(Cl)c3)C2)c1 103186203 VUHBHRSOCRWHAL-GKUPWBJXSA-N 564.694 7.666 50 1 KKGF N[C@@H]1NC[C@@]23CC[C@H]4C5=CN=C6C=[N+](C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@@H](C8CCCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@H](O)c2ccc1c3c24 150348916 JXTSWFLIKSCFOB-GQEQWDHDSA-O 954.248 7.654 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@H]4O[C@@]2(C)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169296982 RPVOJEKMAVTVFM-HLWXSZSSSA-N 550.689 5.216 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3cccc(F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169314244 GPBMKEGYKWRWCU-DWNPJKEUSA-N 715.856 7.634 50 1 KKGF COc1ccc(COCC[C@H](C)O[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 195516979 KEMFXFONLNFIMG-SBABYHHLSA-N 819.990 7.761 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587325886 HKFFKFRIUYPZHH-BHBYDHKZSA-N 562.380 6.209 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)[C@@H]1c1ccc(F)cc1 587326794 CVPMBIMINVTLFR-IFMALSPDSA-N 529.711 6.853 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1C 587378067 UDZHTQUEPYFFAJ-LVXARBLLSA-N 531.989 5.530 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl 587608147 PGZRDDUWCPEJDG-WZONZLPQSA-N 572.260 5.745 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cccc(F)c12 587634522 IRBWQGNWCNTMHZ-AOLYVWNJSA-N 616.101 6.217 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(c1ccccc1)c1ccccc1 587689824 WSKVHCWLQRTHIK-QTEAWJPNSA-N 551.931 7.661 50 1 KKGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587696391 UCMNCNFZLZDWFF-WAIJBMPPSA-N 669.459 6.499 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5C[C@H]6OC(C)(C)O[C@@]6(C(=O)CCl)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 587715383 HONSAAPSFPPSQH-MPEYVVKUSA-N 669.047 6.652 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cc(F)c(Br)cc3F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587944043 XMPWEBNQSPYODK-CICYYLQFSA-N 556.400 5.810 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962618071 DYCNPIMBZMRJTG-YZNIXAGQSA-N 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CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC1(CCCCC1)[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(=O)C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356855688 RSJBKCBUDBGVHD-FBQXVMQLSA-N 668.022 7.855 50 1 KKGF COc1cc(OCCNCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 13492700 LADMDFGUJJHXOE-IBBHUPRXSA-N 521.923 5.006 50 1 KKGF Cc1ccc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2c(C)cccc12 44430617 LRIWAQQQZGXVJP-UHFFFAOYSA-N 573.524 8.643 50 1 KKGF Cc1ccc(C2=CC(=O)O[C@](C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)O2)cc1 73351170 WHPOGASQZGSJKI-PSXMRANNSA-N 541.607 6.756 50 1 KKGF C[n+]1c(/C=C/c2ccc(/C=N/NC(=O)c3ccc(C(=O)N/N=C/c4ccc(/C=C/c5cn6ccccc6[n+]5C)cc4)cc3)cc2)cn2ccccc21 82195445 MBLBEBVYTSCMFS-UOSGGJPVSA-P 684.804 5.710 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 100881565 RWYUFFSYQKUPHX-IYXVXCLMSA-N 505.699 6.379 50 1 KKGF CC[C@H](C)[C@@H](NC(=O)c1nc(-c2nc(C(CBr)(OC)OC)oc2C)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)co1)C(C)C 150565052 XMTQGFZNQSDBKJ-KITINDFRSA-N 941.903 6.381 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@@H]3O[C@]4(C)CC[C@H]1[C@]32OO4 169615394 CRSJHIRCVZDTHB-ZBFGEGPASA-N 832.066 7.556 50 1 KKGF CNC(=O)NC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195433926 KMZCPNXBWMFRHT-VBHAUSMQSA-N 715.961 5.986 50 1 KKGF CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)sc2c1[C@@H](Cc1ccccc1)C[C@H](C(C)C)C2 195486523 PJEFXUVHAWNULU-DTQRXTAWSA-N 646.970 9.688 50 1 KKGF COc1c(OCCCCBr)cc2oc3cc(OCCCCBr)c(CCC(C)C)c(O)c3c(=O)c2c1CCC(C)C 207154749 LQARYLBDFJDSJY-UHFFFAOYSA-N 684.506 8.945 50 1 KKGF Cc1nc(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)c(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)c2c1OC(C)(C)OC2 210382323 AEMSQTFZQAEHOU-UHFFFAOYSA-N 837.781 9.858 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 256967100 SPJCRMJCFSJKDE-JQFCXRQFSA-N 644.812 10.466 50 1 KKGF Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587119249 RTOUSWISKGHQFN-SECBINFHSA-N 636.432 9.311 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(I)ccc3I)[nH]c2c1 587178954 OSHOIUABAVEIKH-UHFFFAOYSA-N 572.078 7.097 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br 587322046 LFZJVCVICJLGCO-UHYGOSBBSA-N 538.251 6.224 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(Cl)cc(OC(F)(F)F)c1 587555724 LUNSWLFIWAGDTN-GHTZIAJQSA-N 529.692 6.196 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 587683361 GPHPDMZEQLXMIT-YIEPVFBUSA-N 511.863 5.693 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2I)N1 587736359 AFIKHYZIADPTAV-VVVCHXIZSA-N 617.920 6.128 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587848369 IFLLDXAFWCWCJE-JIYROHSKSA-N 560.491 7.204 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cccc([C@]2(C)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 962400707 GRYLWHNUDYFMOT-TXYVBMGYSA-N 596.083 6.171 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)c(C)n1-c1cc(Cl)ccc1Cl 962983030 YKARYYGLFKYCSD-MBSDFSHPSA-N 534.217 6.414 50 1 KKGF CC(=O)NCCc1ccc([C@@]2([C@H](C)Cl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963041071 QIZGCUIXGBJHNB-XCVUBILJSA-N 659.129 6.775 50 1 KKGF COc1cc2c(cc1OC)[C@]1(C(C=O)=COc3c(Cl)cc(Cl)cc31)N(C(=O)c1ccccc1N)CC2 963136046 DBSOFGJKLVEOCE-MHZLTWQESA-N 525.388 5.010 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@H](c2cc(CCl)c3c(c2)COCO3)N1 963162600 XZQIHOAWQDQTAA-HEVIKAOCSA-N 632.160 6.662 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1C(C)=O 963328143 COGUYYZUEJWACA-BVCQTOFBSA-N 817.317 5.812 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963915995 QOXZGSPCISMFNA-ZQAZVOLISA-N 632.548 6.580 50 1 KKGF S=C(SSC(=S)N1CCO[C@H](COc2cccc3ccccc23)C1)N1CCO[C@H](COc2cccc3ccccc23)C1 1772607631 ZKJMGWRPIJJXKS-UIOOFZCWSA-N 636.886 6.804 50 1 KKGF CCCCCCCCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772626827 OTVIJJKBILNRLT-ZZHBGPORSA-N 599.293 7.964 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccccc4[N+](=O)[O-])cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccccc4[N+](=O)[O-])cc23)cc1 1857538883 ROUMWDAXZUFQTR-UHFFFAOYSA-N 822.838 5.201 50 1 KKGF CNCCCC[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356293041 ZQDSELUWTNKESP-UIHIWIJJSA-N 873.198 9.185 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@]([C@@H]4CC[C@@H]5CCC[C@]5(C[C@H](O)CO)C4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356299618 GCSFTFKWKNEHMH-ULPHHIFHSA-N 960.272 8.316 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1c(Cl)c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c(CCCCC[C@H](Cl)CCCCCC)c(O)c1[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 2356323396 BRMPFHRPTFWBOB-KRROBZFASA-N 870.433 8.938 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4ccc(CO)c3c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c1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 29320430 RKHWUAXLXKKFRJ-OAQYLSRUSA-N 621.093 7.747 50 1 KKGF COP(=O)(OC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@]42OO3)OC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@]42OO3 49899444 ZVAJAAWKSKUNFE-IFLTYWDRSA-N 672.749 6.275 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNCCCCO)CC(=O)CC2 85597424 VZLVEYRSYOBGHC-AREMUKBSSA-N 599.815 6.589 50 1 KKGF biogenic,in-vitro COc1ccc(C2=C(OCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)c3ccccc3C2=O)cc1 95558856 IAOWGJSNQFIWMM-UHFFFAOYSA-N 583.644 6.886 50 1 KKGF C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](C/C=C/COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)CC1=CC(=O)CC[C@@]13C 96927423 WHEHTTVEXULZJE-XXOTXUDSSA-N 644.724 7.902 50 1 KKGF COC(=O)[C@H](C)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 103233629 YTTQIMNAQVGBSE-JTFXQVTQSA-N 576.778 5.884 50 1 KKGF C[C@H](C/C=C/c1ccccc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 150344130 RJVGQNIVDIEVDJ-DVPNJMSGSA-O 842.969 5.017 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@@H]2[C@H](CCCCCC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 254094452 WGVWKOGGAZAROY-DCROFAHBSA-N 618.764 6.104 50 1 KKGF CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587046701 JUZJJGGMYWPYNF-XMMPIXPASA-N 570.477 5.861 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(OC(F)(F)F)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055838 NOOYWGMFASDFKB-VGOFMYFVSA-N 570.196 8.003 50 1 KKGF O=C(O)CN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O 587195954 KOXGOHUMWJYLBK-UHFFFAOYSA-N 662.387 6.256 50 1 KKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319126 AGZZBZAJBMGEDK-OIULMMOXSA-N 510.359 5.454 50 1 KKGF COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@@H](C)CCCC(C)C)cc1CBr 587875441 TVUNSLMCCCHNEF-QFIPXVFZSA-N 611.448 8.033 50 1 KKGF COC(=O)c1sc(NC(=O)c2ccc(C#Cc3cc(Cl)ccc3OC)s2)c(C(=O)OC)c1CBr 587920964 QQCPVMOSHKBTKJ-UHFFFAOYSA-N 582.881 5.592 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)c3ccsc3CCN2Cc2cccn2C)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 962401976 XUISDGYMZIICCE-CSLVJCBCSA-N 681.314 7.486 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CCCCl)(c2ccc(Cl)s2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962472403 GNBRVICYUOTBHP-NJHZRGNWSA-N 593.532 7.320 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCCCCl)(c2cccc(I)c2)N1 962715769 PIVVVJRNUOVRHI-AZUAARDMSA-N 555.737 5.701 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)c(C)c1 962931398 CCBSWHYLSIPYCF-KPRKEFCRSA-N 626.931 5.862 50 1 KKGF Cc1cc([C@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1CCc1cccs1 963042185 REPPZDDLLKPKHK-VRLMBGIESA-N 687.208 8.430 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2cccc(I)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963071141 IAJRSWRCGQJKRL-JGBHCADMSA-N 898.456 9.025 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCl)(c2ccc(Br)c(Cl)c2O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963083226 OHFPKKVUTBWYKL-BYHBGFKFSA-N 839.459 9.247 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](Cc2ccccc2)(CCN3)SSC1 2356320608 UYWAPJPQHJEKLH-HUBRWUETSA-N 602.822 7.383 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)NC(C)(C)C)[C@H]12 2356339377 KABLNYFUJKBLHV-FMFGHVNMSA-N 537.785 6.953 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@@]4(O)C1=CC3=O 2356361337 ZFEXRCZSJKGYJH-MMGZKXGZSA-N 924.320 8.023 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356482691 RDFUUOFYZDJOQO-NUJNWWOWSA-N 857.186 5.883 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@](CO)(Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356496173 DRUAPNLANGYFOM-WQIRMBILSA-N 838.240 6.894 50 1 KKGF CNCc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356775336 KHLZZQMMPGZEGK-ZTNNCKGWSA-N 739.105 6.265 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@@H](O)SS[C@H]3C=CC4=C(NCC=C4C2)N3)CCCC1 2356841351 NHNCZNJQLKXWRZ-PNRVDZPWSA-N 672.913 7.224 50 1 KKGF O=C1N(CCCCCCO)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCCCCl 14907433 UJPXEKCVJBRCHQ-XAZDILKDSA-N 545.164 5.020 50 1 KKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1cc(OC)ccc1OC)C(=O)[C@@H](C)Cl 16570137 KKSBCTWNGZQTPG-WINIVTDRSA-N 510.034 5.187 50 1 KKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1cc(OC)ccc1OC)C(=O)[C@H](C)Cl 16570139 KKSBCTWNGZQTPG-PPHZAIPVSA-N 510.034 5.187 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCCC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145568 QFLOHTHTYXENFN-XRCOBOKTSA-N 544.780 6.828 50 1 KKGF CC(C)COc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 72116902 LXWSSRSKGLKSCQ-BUNUKWNGSA-N 535.431 5.449 50 1 KKGF CCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC[C@@H](Cl)COS(=O)(=O)O 231928836 WAZWQAUPFQVNCE-MWIVGIEESA-N 703.015 8.292 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253695378 ZICISAPTXRLDEV-FHCJYDIMSA-N 790.969 6.171 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cccn2C)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253851610 ISKQMPRXCVXJIK-RRPNRNDNSA-N 576.517 5.186 50 1 KKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321123 IKQPRLNVQXLHFW-LADGPHEKSA-N 505.767 6.151 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2ccc(F)c(Cl)c12 587630157 FZKKGGMWLJYKGC-BLTCBSGZSA-N 650.546 6.870 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCO2 587689792 WHHSZPROKHWSQR-RZFZLAGVSA-N 505.815 5.741 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587718652 OILASBBHYKLUDY-GAKALQBHSA-N 624.994 5.904 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cc(Cl)cc(Br)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587939937 HDAYKKKLOUBOOE-XTHAMVQISA-N 554.865 6.186 50 1 KKGF COc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(NC(=O)O[C@@H]2CCC[C@]4(C2)OOC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 621476398 NTXXGUGMTBSXET-KBEDUOQJSA-N 699.244 8.549 50 1 KKGF CC(=O)N(C)Cc1ccc([C@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963081745 MUTNMVJMUUXPPB-RCDGGPPNSA-N 795.225 8.104 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)(c2ccc(C)cc2)N1 963176829 UEOCYYZOHDLVLG-JUKUECOXSA-N 588.151 6.758 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(/C=C/C(=O)c4ccc(O)cc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772595660 KOGQJDXMNRWYPT-SDLYPYFQSA-N 550.648 5.892 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]2(C)[C@@]1(OC(=O)c1ccoc1)C(=O)CCl 1857533791 ZMCKAHOCNZBGEK-LRKYTZNUSA-N 539.883 6.116 50 1 KKGF CC1=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857621775 YLOLLVMBOLVPFB-GQIPXBGMSA-N 626.951 7.553 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356320059 CMPNVOCLBOVJAU-PYWACNHNSA-N 814.039 7.223 50 1 KKGF COc1cc2cc(c1O)CN1C(=O)C[C@@H](C[C@H](NC(=N)N)CSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)[C@@H]1CCC(C)C 2356355675 VFMOMFGRYDWKGC-JOFXVPDFSA-N 680.978 5.757 50 1 KKGF CN[C@@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1ccc(NCC(C)=O)c(CO)c1 2356358902 ZIPZUSGMDXIZEA-JWHZPSNFSA-N 744.976 8.069 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(CC3CCCCC3)=C[C@H]12 2356422262 KVINWTVMYISUJO-BGENVKLPSA-N 764.963 5.631 50 1 KKGF CCCCC=CCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356476866 RHGTXJLTQOSXCQ-OMFJLMHKSA-N 711.125 12.420 50 1 KKGF CCCCCCC=CCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356525555 SBWPODCMBUGMQH-RNUUGWIRSA-N 739.179 13.200 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]34C[C@@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356566780 UACUEVLXHNSVNW-XIGKEOKWSA-N 786.208 7.666 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1ccccc1)[C@@H](CC=CCCC1CCCCC1)C2 2356644320 BCONRCCLNCPPJW-PTLLJHRBSA-N 690.072 9.761 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H](C=O)[C@H]1C=O 2356724990 GFRJMNBJHKMTDR-KMWDQMTNSA-N 590.889 8.887 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)c1O 2356739027 VKONUJCOSYXSTI-DBWGIRIPSA-N 738.965 8.083 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@H]5O)C1(C#CO2)CCCC1 2356854622 RQTICLPJAKPZAA-HIWWFMPGSA-N 805.079 7.125 50 1 KKGF CC1=C(CCCCCCCCCCCCCCCCCC[C@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O)C(=O)OC1=O 2356859264 SSSBQGMZIPAJTB-BJKOFHAPSA-N 538.678 6.284 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@@H]4C(=CC[C@H]5CSSC[C@H]6CCC[C@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(C)=C2OC)[C@@H]4C)c1 2356859416 SUKKQYLTMFHHLS-MILCYXOPSA-N 694.016 8.601 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6c(CNCCCO)c(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O7)C4)N[C@H](N)C=C5)C1)C2 2356871890 YMFQMRHYRPIRRH-DEMRTECSSA-N 973.271 7.954 50 1 KKGF BrCc1ccc(CBr)c2c1-c1c(CBr)ccc3ccc(CBr)c-2c13 1654066 PVKVEHGRZZEVOC-UHFFFAOYSA-N 573.948 8.067 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)N[C@@H](Cc1ccc(Br)cc1)C(=O)C(=O)NCCc1ccccn1 28563025 KYUQMTCUNIFCIQ-PVHODMMVSA-N 677.731 5.044 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3ccc4ccccc4c3)ccc2[nH]1 29226546 NSCXLBOARAUKIR-HXUWFJFHSA-N 661.036 7.549 50 1 KKGF COc1cccc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2cccc(OC)c2)c1 43409260 OXKQKYITRRTXSI-AQOUDTPCSA-N 650.996 5.331 50 1 KKGF CNC(=O)c1cccc2c3c(cc(O)c12)N(C(=O)c1cc2cc(NC(=O)c4cc5ccccc5[nH]4)ccc2[nH]1)C[C@H]3CCl 95604999 QGRZBAWMGKFIFB-LJQANCHMSA-N 592.055 6.103 50 1 KKGF COC(=O)c1c[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]cc(C(=O)OC)c32)cc1 95609673 XMADCNPBRJOPRD-NBHSODJHSA-N 743.600 6.398 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CN=C4[C@@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N(c1ccc(Cl)cc1)C1CCCC1 169713797 KIRJENQTDJNKGS-AGHCZLFWSA-N 529.552 7.106 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1C[C@H](C)C[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@]2(C)CC(=O)C[C@@]1(C)CO 195413319 MXPMFCPPGONLBB-JEWSKWQISA-N 538.962 7.817 50 1 KKGF C[C@@H]1O[C@H](C=C=CBr)/C=C/[C@H](Cl)CC2=C(Br)C[C@H](Br)[C@]1(C)O2 238757069 GDHGBLCXHRSFRM-LOGTZDOESA-N 517.483 5.940 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@@H]5[C@@]6(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@@H]1[C@@]2(C)CC[C@@H](O)[C@@](C)(CO)[C@@H]2CC[C@]13C 255225767 LFOGUDTXRGAZLK-KKEMOTSPSA-N 923.373 12.166 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COC(=O)c3ccnc(Cl)c3Cl)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299840995 XGHDKAIOERRFHA-PPOGDEGJSA-N 780.783 8.443 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3nc(Br)c[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190174 JCYAYOAOXRUHLP-XPJLVOMASA-N 642.639 6.099 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(-n4cnnn4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190865 UATKNHVBKISHNL-JAJUVVLESA-N 629.806 5.571 50 1 KKGF COc1cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1OC(F)F 587557284 RHNRMUVIGAZXLN-WMZHIEFXSA-N 507.283 5.254 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]43C)c(OC(C)=O)c2c1 587618479 RNLIUZGGQDGWCW-YEMZMIRRSA-N 758.677 6.885 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587671942 VZNDZPYEVWTYBC-KEFSCGHKSA-N 573.344 7.246 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 587673922 RPMWKLPWFAYQLJ-MQNRADLISA-N 523.328 7.110 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc12 587686532 CYHJQEAFHKGMGF-UPINHGDLSA-N 527.821 5.525 50 1 KKGF CO[C@@H]([C@H](O)C[C@]1([C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]2O[C@@]3(CC[C@@H]2C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O3)N[C@@H](C)Cc2ccc(F)c(Br)c21)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587833281 MSPMPVMUCKGBKP-KVBXOQGYSA-N 981.047 7.548 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc([C@H](Cl)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 587895780 VTRGEFMWUDQGHL-SSEXGKCCSA-N 598.850 8.292 50 1 KKGF CC1(C)[C@@H](OC(=O)CCc2nc3ccc(C(=O)NN)cc3[nH]2)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C 587948035 GMZVJAFITTYUDG-JVMQJSIBSA-N 700.921 7.076 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)([C@H]1Cc3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668033 AXYIXFLCKHKVTD-HOFKKMOUSA-N 560.410 6.351 50 1 KKGF O=C(c1ccccc1Cl)[C@@H](Cl)[C@]1(c2ccccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962670083 PVGWSYSBVIQJPW-WDYNHAJCSA-N 506.860 7.540 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(C)c1cccc(S(F)(F)(F)(F)F)c1 963059239 BUHBTVDMZTZHHX-ISJBWFOZSA-N 576.584 7.086 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 963159753 RKFBYGJZWMNYGW-LITRCPILSA-N 663.140 5.954 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CCl)c1cc(C)n(-c2cc(F)cc(F)c2)c1C 963842235 WCNAGHBFGYJSHM-HLADLETHSA-N 559.053 6.800 50 1 KKGF CC(=O)Nc1ccc(-n2nncc2CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1 1772579393 QIDPFXMETWMAFH-LHEWISCISA-N 655.678 5.394 50 1 KKGF CC1=C(CO[Si](C)(c2ccccc2)c2ccccc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857606200 QQMRCIBVRVEMLZ-HNIBNDOZSA-N 664.915 5.975 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c3c(c2)O[C@]2(CNC)C[C@H](CCOC)[C@H](CC#CO3)C2)N1 2356356014 XWPNYGPZELQCAG-OZMLADHISA-N 763.039 6.971 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(CSSC[C@@H]7CCC[C@H](CO)[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@]7(O)C3=CC6=O)[C@@]54C 2356372904 OOUPMYNYCUSDLH-JAKXEMTGSA-N 904.245 6.773 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 2356435584 HLNBKOPLEPRLGJ-PTVKQMBDSA-N 666.858 7.105 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356580383 POBGPCVUKBTWEA-NIHIWOSISA-N 781.091 6.282 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H]7[C@H](CC[C@@H]8CCCC[C@@H]87)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356846086 OKAIWSTZLISKGE-KIKXKARZSA-N 834.117 9.711 50 1 KKGF CCCC1=C(C=O)c2cc3[nH]c(c(C)c4nc(c5c6[nH]c(cc1n2)c(CC)c6C(=O)C5)[C@H](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)[C@H]4C)c(C)c3[C@H](C)O 2356864553 VWEOHHNEPODWTK-VHZVCMSLSA-N 813.096 11.826 50 1 KKGF Cc1cc(N(CCCl)CCCl)ccc1/C=C1\CCC/C(=C\c2ccc(N(CCCl)CCCl)cc2C)C1=O 66263416 NWRXVMGXGORRNP-CRYYDKFDSA-N 582.443 8.091 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C(C)(C)C)CC1)OO2 72186723 ZSWHWOUNGHFRGZ-FVCQUFJASA-N 690.915 7.857 50 1 KKGF COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)[C@H]3CSSC[C@@H]4CCC[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 85532475 IFTLASPLOLUKEF-VQMMDGPXSA-N 601.875 6.960 50 1 KKGF biogenic,in-vitro COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1ccc(I)s1)C(=O)OC)NCCC(=O)c1ccc(I)s1 95546939 SSOGQCMXDAJCQI-HZPDHXFCSA-N 824.588 5.289 50 1 KKGF COc1cc(N[C@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 103250410 NOZKJPFGJYQDDL-CDHOFULVSA-N 551.728 6.363 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@@H](O)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169314238 XFXMHHUITVSBRD-KGCQAFKISA-N 578.743 5.238 50 1 KKGF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C\CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 169364085 ZBKZGKOPNVIOTD-GJIDBUFISA-N 541.110 5.222 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 169369304 JAKHCMZTYGIFCV-HSCFTSTOSA-N 828.122 8.473 50 1 KKGF CC(C)CC[C@@H]1OC(C)(C)O[C@]1(C)[C@@H]1CC[C@@]2(O[Si](C)(C)C)[C@@H]3C[C@](O[Si](C)(C)C)(C(F)(F)F)[C@@H]4C[C@H]5OC(C)(C)O[C@H]5C[C@]4(C)[C@H]3CC[C@]12C 299876743 GFDBWCVAEMTLDC-VSQHVULHSA-N 761.168 10.858 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(Br)c([N+](=O)[O-])c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057262 UWYAUWBFSDOTRA-NTEUORMPSA-N 531.197 7.012 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCC(=O)N4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191278 XENYBEYQAPPNPJ-POJFBICGSA-N 632.802 5.926 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587685594 AATZTEQKBPHIFI-WHDAMIPWSA-N 572.866 5.056 50 1 KKGF CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587686745 XCXNSYZFDPGXAD-NBKAQTBSSA-N 681.039 6.679 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963031330 UAYSINTVAUNHAJ-FLAQELHPSA-N 564.151 5.794 50 1 KKGF COc1ccc(C)cc1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963034084 YGSONWZWGFEKGM-LXFBAYGMSA-N 567.867 5.929 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2ccc(Br)c(F)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963067963 HRVXFYNWYZSMLW-FXBDCZLJSA-N 869.446 9.322 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(OC(F)F)cc1)([C@H](Cl)C(=O)c1ccc(OC(F)F)cc1)N(C(=O)c1ccccc1N)CC2 963142486 PSJGANBPAXTORZ-KAODMTDESA-N 673.059 6.921 50 1 KKGF COc1ncccc1[C@@]1(CBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963240632 RIMGADOVYFSRNM-UKJJDJLKSA-N 705.474 5.511 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5ccc(O)c(O)c5)CC[C@]4(C)[C@H]3CC[C@]12C 1772641093 UKWVAFDIIBCWCP-DHTQPOBOSA-N 589.733 5.384 50 1 KKGF CN1CCN(CCOC(=O)N(c2cccc(Br)c2)c2nc(SCCN3CCOCC3)nc3c2cnn3C[C@@H](Cl)c2ccccc2)CC1 1772644676 ZPYFGEVWAWJEIR-GDLZYMKVSA-N 744.160 5.515 50 1 KKGF CC(C)(C)c1ccc(C(=O)N/N=C/c2ccc(Oc3nc(Oc4ccc(/C=N/NC(=O)c5ccc(C(C)(C)C)cc5)cc4)nc(Oc4ccc(/C=N/NC(=O)c5ccc(C(C)(C)C)cc5)cc4)n3)cc2)cc1 1857563565 SUSSHGAAGXROAO-DOSVAAAHSA-N 964.140 11.433 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccc(C)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857606638 DVHIPECKMPEMPJ-IURCMVACSA-N 596.496 5.711 50 1 KKGF Cc1cn([C@H]2C[C@H](C3(c4ccc(NC(=O)CCCCCCC(=O)NO)cc4)SCCCS3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 1857755685 OBLYOUHZDXWOHW-PVTPYKNESA-N 721.031 6.690 50 1 KKGF C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356299626 GFIVDFQIOVMQEW-MKPKTNMWSA-N 950.280 10.425 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356358480 PTFORQWEKBBGTN-HREDWQDZSA-N 929.211 7.983 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356361239 XKMHQXRHADLLNF-HBGYCAEESA-N 929.211 8.156 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]3CC[C@H](O)Cc4cccc(c4)[C@H]4CSSCc5ccc6c(c5CC(=O)C(C)=C3CC[C@]2(C)O)[C@H](NC[C@H](O)C4)C(=O)N[C@@H]6N)[C@@H]1O)CCC=C(C)C 2356496907 RTFILKXMHHYTET-VGKRGUJOSA-N 926.299 7.655 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356644787 TTZBYHZGYZZKRC-TVGINYORSA-N 902.226 7.018 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356694108 WAHQSNSYGMSFJO-UAVRNBCCSA-N 767.155 8.484 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(C)O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356750763 BTOQTBQYZOQAJA-QHWMQQLKSA-N 614.867 6.994 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@H]1[C@@H]2C[C@H]2CSSC[C@@H](C)NCc3ccccc3Cc3cc(O)cc(c3)C[C@H]1C2 2356755824 WWLDPNJTPFHBHX-DXHQKWSUSA-N 724.177 12.325 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C(=C6CCCC7(CCCC7)C6)C[C@H](O)[C@@H]5C)[C@]4(O)C3=CC(=O)[C@H]12 2356767994 JYUHPIYEMXDHCN-YJOOQVDUSA-N 810.224 7.930 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC2CCCC2)c1O 2356768363 NHWGUIGPJNQIPL-LELFMQMDSA-N 694.912 7.885 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c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c2cc(OC)c(O)cc2CC2=CN[C@@H]3NCC[C@](c4cccc(O)c4)(SSC1)C3=C2 2356864839 WADXRHCCYOHMGC-QOBLYEEOSA-N 606.810 6.020 50 1 KKGF CN(C)c1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 98082872 MUESLDZSZOZVGG-LWGARIJXSA-N 546.647 5.194 50 1 KKGF Cc1ccc(Cc2nn(CC(=O)N/N=c3\scc(-c4ccc(Cl)cc4)n3-c3ccccc3)c(=O)n2CCc2c[nH]c3ccccc23)cc1 150587924 SOSIBXSHXUXIBA-GYILVKINSA-N 674.230 6.473 50 1 KKGF C[C@]1(C(=O)OC(=O)[C@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@H]32)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 200788840 CXSWMXMKWWOTPK-DULZRZHNSA-N 530.705 6.888 50 1 KKGF COC(=O)COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@@H](Br)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 253738369 QXDZABCOJDUJGT-JNMSHZPVSA-N 607.670 7.383 50 1 KKGF O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc1 586949290 SDARODZGOVBGRT-UHFFFAOYSA-N 567.561 8.480 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057617 VVLSDHLSFSNQLK-IMRQLAEWSA-N 638.603 7.341 50 1 KKGF O=c1c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 587112707 XXXYKSIVDAJWEC-UHFFFAOYSA-N 642.288 8.897 50 1 KKGF CCOC(=O)CNc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587226136 VXFNRFAHCIZAMS-UHFFFAOYSA-N 500.287 6.625 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)[C@H]1c1ccc(F)cc1 587330184 FXQOMLJGPGTXGM-RCDICMHDSA-N 517.219 5.876 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@]1(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C)CC2=O 587466253 MXLXUTOGUSZCDU-BWKBWULTSA-N 587.128 5.635 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)(F)F)c1F 587558910 YDXQURKAVUELTF-LAUBAEHRSA-N 513.237 5.682 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 587672813 IGIRFVKHTPOOJA-CMJOXMDJSA-N 505.225 6.553 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](Cl)C(=O)c2ccc(Br)cc2)N1 587677109 GODACOLORFHRTH-YQQIJLMBSA-N 630.577 7.381 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1nccs1 962409533 WFIIWTVXALUMPR-KAODMTDESA-N 625.150 6.688 50 1 KKGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963013034 HXNGSAMNTGMKTC-MUCHMKMHSA-N 564.425 5.175 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCBr)(c1ccc(Cl)cc1)N(C(=O)c1ccccc1N)CC2 963161824 WEBSPBBEAIWCKT-HHHXNRCGSA-N 543.889 6.057 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccccc2)([C@H](Br)Sc2ccc(Cl)cc2)N1 963227477 QBBPBFAEBPRWFI-DMDYGQEQSA-N 539.882 6.244 50 1 KKGF Cc1cc([C@@]2(CCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)c(C)n1CCC(C)C 963914258 GNOHHNIDQGVNNZ-LJAQVGFWSA-N 555.554 6.776 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857546090 GKWYFFURPSKKGY-PCBRCXCUSA-N 627.466 5.311 50 1 KKGF CCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857742263 GIGNUNNBHDZJIO-VLOGZXIDSA-N 517.707 5.114 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356310740 HPQIQNHBGAQRGO-BIBXJSDQSA-N 983.399 10.212 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Cl)C(C)(C)O[C@]1(C[C@H]1C(C)(C)[C@H]3CC[C@@]1(C)O3)C2=O 2356336489 NLSPRIUKOHATQS-NZUIOEJZSA-N 511.442 5.292 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356351531 ZLOWUTPSRITHJP-PRFCOJDMSA-N 776.967 5.062 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356370170 YNOZUGGTNUTGLV-IUECYJTLSA-N 913.304 10.269 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)[C@H](Br)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 2356384477 JGVYFYLJHISGAE-URPZPXIISA-N 511.541 6.540 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356433402 IPZJQKCNVUEXBR-ULLDVAPYSA-N 785.123 6.832 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OCCCO)C(=C2C[C@H](CO)C(=O)[C@@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356572602 GTBBZKAUXZZGTJ-UQAAEVCCSA-N 745.866 5.364 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H]1[C@@H](CCCO)C=C[C@@H](C4=O)[C@@]512)CCNC(=N)N3 2356625683 VVTJDKSPCDTYSM-WVGJUFDUSA-N 515.789 5.075 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356707366 SOCQRMIOUWQBFO-VISKGFPNSA-N 674.967 5.543 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC)[C@@H]2CCC[C@@](C)(O)[C@@H]2O3)O1 2356762489 ADZDLZKCSHINGR-XIUGDQRXSA-N 627.690 5.147 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356768189 NEWUWPKROOQGSB-XNXQDPHJSA-N 787.095 5.946 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356804259 ABCKSWYIYPKBJQ-MWLAXCMUSA-N 764.067 6.892 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](C1(n3ccnc3)CCCC1)C1=CC2=CN[C@@H]1N 2356833692 KISWNKBLKAIDKH-AOLWKSJLSA-N 646.879 6.399 50 1 KKGF CC(C)=CCC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)[C@@]34C=C[C@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C 2356852757 QTEGGQUMNWUDAN-HXZDENNRSA-N 500.676 5.354 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4NC5=C6C7=C(CC[C@@H]8CC[C@H](c9cccc4c96)[C@@]78C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)CN5)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356858842 SPBYNESJLDXDMX-WVWFLLKVSA-N 889.061 5.277 50 1 KKGF Cn1c(SSc2c(C(=O)c3ccccc3)c3ccccc3n2C)c(C(=O)c2ccccc2)c2ccccc21 27725880 AIADCOSLXNLQSJ-UHFFFAOYSA-N 532.690 7.931 50 1 KKGF CCO/C(O)=C1\C(CSc2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802483 KXKZHKBKIZEZDS-BJAIWJEPSA-N 515.557 6.598 50 1 KKGF c1ccc2c(Cc3nnc4sc(SSc5nn6c(Cc7c[nH]c8ccccc78)nnc6s5)nn34)c[nH]c2c1 73417852 ZFNMQXZIMYHHQE-UHFFFAOYSA-N 572.730 5.629 50 1 KKGF CC(C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1C[C@@H]2OOc1cc2c(cc1C(C)C)C(=O)C[C@H]1C(C)(C)CCC[C@]21C 86050424 KZGQZFOHDQWSJK-OPSGKIFQSA-N 600.884 10.849 50 1 KKGF CSC[C@H](NC(=O)OCc1cccc2cnccc12)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)N(Cc1ccccc1)NC(=O)COc1c(C)cccc1C 95612451 YGNMRRZJWHABRJ-LYDQXETESA-N 763.917 5.037 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCN(Cc5ccccc5)CC4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105825 UYHPUHBPKDZQFZ-LBGZFKGJSA-N 562.751 5.729 50 1 KKGF Cc1c(CBr)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 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C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CC[C@@H](C)C3)N1 587858258 PPBOBUNRSKOCSM-QSDPREHASA-N 618.056 8.075 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCl)(CC(=O)Nc1cc(C)nn1-c1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962636483 WZTFIFUSXKXRFR-NGQVCNFZSA-N 581.069 5.093 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3ccc(F)c(C(F)(F)F)c3F)N12 962666021 MBSQHIULEJKYFB-VXKWHMMOSA-N 529.303 5.269 50 1 KKGF Oc1ccc2c([C@]3(CBr)c4ccsc4CCN3Cc3cccnc3)ccc(OCc3ccccc3)c2n1 963000590 VTKFYJGVXMTNFA-SSEXGKCCSA-N 572.528 6.673 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CBr)(c2c([N+](=O)[O-])cccc2C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963027990 BBKBOQVYVLXOEF-HVIPQOSHSA-N 717.441 7.791 50 1 KKGF O=C(O)Cc1ccc([C@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)s1 963103202 ZPFZLILZOWJOJL-ZJJOJAIXSA-N 608.159 7.161 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963915992 QOXZGSPCISMFNA-RYCFQHDISA-N 632.548 6.580 50 1 KKGF COc1cc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc(OC)c1OCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1772603368 JEZYWZSBBQLUJC-LNTYKIEXSA-N 921.090 8.807 50 1 KKGF COC(=O)c1ccc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1857537883 CJHSCWBQPBOBRA-UHFFFAOYSA-O 611.783 8.843 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356291922 GZOCAEKJTWXDLO-FEBBLVGJSA-N 915.280 8.247 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356356434 BGRQVEMXMUXFCH-UWGNYOSJSA-N 983.303 9.468 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@@H](O)[C@@H](c1cc(OC3CCCCC3)c(O)c(OC)c1O)O2)C4 2356365837 SOXOJLAXRKJUGG-OWMHGEFASA-N 694.912 8.618 50 1 KKGF COC(=O)CCC(=O)[C@]12C(=O)N[C@H](Cc3c[nH]c4ccccc34)[C@@H]1[C@H](C)C(C)=C[C@H]2C=CC[C@H](C)C=C(C)C=O 2356366353 GONMAPGEEGOZBM-GKFPNYNLSA-N 544.692 5.274 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4[C@H](CNC)[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356372445 FJFLLHSGIKYSBZ-TZBQPSEESA-N 688.013 5.055 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@@H](SSCCC[C@@H]3O)[C@@H]4O)C=C[C@@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356580518 WPWYHEJIOKBNTR-XOYDLETESA-N 990.300 11.021 50 1 KKGF C[C@@H]1CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C 2356613748 XKHSFOSRVMEQJH-BWALRNLRSA-N 601.077 10.242 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@H]41 2356690361 USJQCCQHFDAPOV-AMGSPZTJSA-N 974.388 7.399 50 1 KKGF CCCCC[C@]12Cc3ccc(O)c(c3)O[C@H]3CCC[C@@](NC(=N)NC)(CSS[C@@H]1CC[C@H]1[C@@H]2O[C@H](c2cc(O)c(O)c(OCCc4cccnc4)c2)C[C@H]1OC(C)=O)C3 2356740636 WVEUDLTVALHUTE-AXYFYWKRSA-N 849.129 8.369 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](CO)([C@@H]3CC[C@@H]4O[C@H]([C@]5(C)CC[C@@H](Br)C(C)(C)O5)CC[C@@]4(C)O3)O2)O1 2356797764 OKXDJPPMYREZLD-HMWZQACVSA-N 603.635 5.202 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)CCC[C@@H](CC45CCCC5)[C@H]3O)C=C12 2356809955 AUNFOMAWVKQADD-DPMWMQFKSA-N 884.262 7.895 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356832404 IAXLBHHTSOMWGZ-CCSMAIPOSA-N 903.269 7.606 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@H]1[C@H]3[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@@H](C)CSSCNC2=CC(=CCN2)C1 2356841261 NGKIDWYCCUOEDD-BVLGLZIFSA-N 604.838 6.817 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356846458 ONZOORMYIZRWNJ-UDLFIOMPSA-N 967.356 8.570 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356869281 XKJIHESQQBIMNO-NTNSISDTSA-N 571.849 5.589 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)O[C@H](C)c3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC 26499144 FHDDYKPUFWIFHH-NQIIRXRSSA-N 659.095 7.548 50 1 KKGF Clc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(Cl)cc2)cc1 26665902 KUGVOBCHEIPKST-UHFFFAOYSA-N 599.782 7.554 50 1 KKGF CC(C)(C)OC(=O)N1CCN(C(=O)[C@H](Cc2ccc(OS(=O)(=O)c3ccc(CBr)cc3)cc2)NC(=O)OCc2ccccc2)CC1 28979216 SDJOVSOKTIZZLK-LJAQVGFWSA-N 716.651 5.266 50 1 KKGF CNCc1ccc([C@@H](NC)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)cc1CO 85597370 OEXPJOVDFPSXRN-YSJGZBICSA-N 690.928 7.399 50 1 KKGF biogenic,in-vitro COc1cc2c3cc1Oc1c(OO)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3N(C)CC2)N(C)CC4 95555330 SODLLPYGRVMWNH-IZLXSDGUSA-N 610.707 6.703 50 1 KKGF C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C 150611558 AVZXJUDBXUWBJQ-DFNFTQNPSA-N 809.641 5.403 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 169354571 RWPJHYYGAGYJMG-MABCAGCMSA-N 846.465 6.345 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](N2CCC(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)CC[C@H]1N 169954903 PUWBROBUTNCTMH-DANFDKMISA-N 661.331 6.289 50 1 KKGF CO[C@@H]1O[C@H](CBr)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 256015725 ZJEJBLWGAZBXNH-NJKYTEHWSA-N 984.043 13.885 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325980 IZZDPCRBKGUPKC-IALVYGIMSA-N 526.004 6.004 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)[C@@H]1c1ccc(F)cc1 587337922 WGAWHVQYQGTOBS-XMSQKQJNSA-N 514.149 6.627 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccccc1OC)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O 587450490 FOIWVUJAPOZRDC-HMILPKGGSA-N 524.038 5.513 50 1 KKGF CC(C)(C)OC(=O)N1CCC[C@H]([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587537993 MFALHJQCAGHFKF-RGIAPHJHSA-N 518.404 5.135 50 1 KKGF C[C@H](Br)[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539016 UDOLIYBZCPCDOW-PSMUNZOPSA-N 504.174 5.795 50 1 KKGF Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587616954 HXUMTFZWAYBSLI-JTSJOTPCSA-N 560.071 6.724 50 1 KKGF COc1ccc(Cl)cc1C#CCc1cc(Br)c(CBr)cc1Br 587898883 SZXBHQWHRSHKAS-UHFFFAOYSA-N 507.447 6.363 50 1 KKGF COc1ccc2c(c1OC)[C@](c1c[nH]c3ccccc13)([C@@H](Cl)c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962681997 TZXCEDRJWJINSM-CQTOTRCISA-N 605.056 8.126 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)c1ccc(COCCl)cc1 962989700 GSSGBUMEBMDYRD-GDLZYMKVSA-N 542.459 5.991 50 1 KKGF O=C1c2ccccc2[C@]2(c3ccc(CBr)cc31)c1ccsc1CCN2Cc1cccnc1 962994466 DGOVHBIIATVNTM-MHZLTWQESA-N 501.449 5.933 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@H](c2cc(Cl)cc(S(F)(F)(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963071405 IXFVHPBUBSWNQU-XDSPJLLDSA-N 822.141 11.043 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CBr)c1cc(F)cc(Br)c1F 963073909 OEEPRRLRNHWIBY-CUVVAGTFSA-N 644.307 5.845 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl)N[C@H](C(=O)O)Cc1c5cnc2ccccc12 963234312 UOYRKIMURRGUJG-ZYECDBEHSA-N 719.662 6.343 50 1 KKGF N#CC1=C(c2ccc(Cl)cc2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772589747 QBEMZAMNFXVLBB-OAQYLSRUSA-N 502.842 6.316 50 1 KKGF CN1CCN(CCOC(=O)N(c2ccccc2)c2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)CC1 1772626193 CHHCUIHBACXKKX-XMMPIXPASA-N 598.933 5.091 50 1 KKGF O=C(Cn1nc(/N=C/c2ccc(SC(F)(F)F)cc2)c2ccc(C(F)(F)F)nc21)N/N=C/c1ccc(SC(F)(F)F)cc1 1857608098 QPCAASNOCBHQNV-KSFZRBHCSA-N 650.552 7.575 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)CBr)CC[C@]54C)[C@H]2[C@H]1OC3 1857640904 NPTFMKDSYLADHU-VZWNYMRGSA-N 546.634 7.961 50 1 KKGF C[C@H]1CCCC=C[C@@H]2C[C@H](OC(=O)c3ccc(N(CCCl)CCCl)cc3)C[C@H]2[C@H](O)C=CC(=O)O1 1857647887 LHZAPTVHPVVGNI-IFRSFYTMSA-N 524.485 5.111 50 1 KKGF C=C1C=CC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1 1857743992 JZTIHGYKMIPWKD-JKRGRDATSA-N 718.024 5.544 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSS[C@H]7C=Cc8c(ccnc8N7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356292159 MQEJZJSSWXKNBZ-ZISJYAISSA-N 654.898 8.691 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1[C@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356341193 INMMJJDLRDZRDD-AQWIKTBWSA-N 509.824 5.314 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@H]2O)c1ccc(NCC(C)=O)c(CO)c1 2356354812 AYTRAUIWGRWFQG-VUCAVGAPSA-N 760.975 7.040 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3CCC[C@@H](CC[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)C3 2356367239 YWODMNGWCIRMKY-YJJXMPEBSA-N 732.917 6.567 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](C4(CCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356369421 WTGNADDMECVHGQ-OVPHDQOPSA-N 952.382 7.448 50 1 KKGF CC(C)=CCC[C@](C)(O)[C@H](O)CC=C(C)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356383541 PWDGMEJVFFOABR-USRYCRFFSA-N 571.637 6.778 50 1 KKGF CC(C)=CCCC(C)=CC[C@@]12C[C@H]3C[C@H]4C(C)(C)OO[C@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356439073 DCSFMYBSUBGTPD-WWNAQLJISA-N 618.811 6.968 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356465261 MCBWGFMLOPXYQO-BUAQGSAMSA-N 664.935 5.484 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CC[C@H](Cl)C(C)(C)Br)[C@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(Br)cc(Br)c1O 2356596536 NFMVWIXBGOEENC-RWKTWAIASA-N 718.634 10.173 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 2356756702 DUAGAVSEANEZKB-QZWVHRRXSA-N 584.838 6.157 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1[C@H]2CCC[C@]3(O)CCC(=C(C)C=O)[C@@H](CCCO)[C@@]3(C2)[C@@H]1O)CCC=C(C)C 2356775132 HYNPLMAIRBIORJ-GOLBDNJDSA-N 512.731 5.360 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1CCC3=C4C=C(NCSSC[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@H](CO)[C@H](O)[C@@](O)(C[C@@]41C2)[C@@H]5O)NC3 2356835499 KSIZWNGEHYVTNO-CEWRVLDZSA-N 953.189 5.753 50 1 KKGF COc1ccccc1[C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c1ccccc1OC 28218241 UWHKWKADTIIEMT-MEKGRNQZSA-N 650.996 5.331 50 1 KKGF N#C/C(C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1\SC=C(c2ccccc2)N1c1ccccc1 49777281 VKUJUKUTNQZHLT-CNVKIAMMSA-N 592.680 5.897 50 1 KKGF COC(=O)[C@]12CC[C@@H](C)[C@@](C)(O)[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@@H](O)[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 84733404 KMGJTAFBKQYXGP-ATVXGRNTSA-N 579.218 6.053 50 1 KKGF O=C(CCCCCN1C(=O)C=CC1=O)Oc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4cc(F)ccc4[nH]3)ccc2[nH]1 95615109 BVGZOZXQYSGKSI-RUZDIDTESA-N 746.195 7.567 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195515009 AMSWKXJXTYPJKN-KKMBPYAXSA-N 626.036 6.402 50 1 KKGF CCCCN(CCCC)CC[C@@H](OC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 215284863 SVFWASOJINENNQ-IHAQEOERSA-N 806.790 12.575 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 253688576 QLCCWSNDASPFBV-KABSIRMDSA-N 966.013 6.143 50 1 KKGF CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 253861546 CLNSNWKRDSPCEI-PSCUAQHUSA-N 980.040 6.533 50 1 KKGF CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O[Si](C)(C)C)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 299810420 WLFZGWHFSSYBPC-NPVNBFIESA-N 926.101 5.595 50 1 KKGF N#CC(C#N)=Cc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1 299828416 VJBVSNNVLPJSLD-UHFFFAOYSA-N 537.673 8.987 50 1 KKGF CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 586925031 BPBRWQXTNXPGDO-UHFFFAOYSA-N 646.498 7.823 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](Br)C(C)(C)F)[nH]c21 587087830 WAYKBGUVEGYQCR-GDLZYMKVSA-N 635.578 8.007 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(C)(=O)=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190736 QFKLGJGKHJIIEJ-JAJUVVLESA-N 639.859 5.998 50 1 KKGF CC(C)(C)OC(=O)NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC(O)CC1 587236709 GALVMIHIAQDNIL-UHFFFAOYSA-N 536.361 6.638 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587327871 HZKAPIPDZXFCAH-UNMCSNQZSA-N 511.265 6.079 50 1 KKGF COc1cc2c3c(c1)O[C@@H](c1ccccc1P(c1cc(C)cc(C)c1)c1cc(C)cc(C)c1)[C@@H](C2)C3=O 587448621 KQJATWDJSUFMES-UVMMSNCQSA-N 506.582 6.176 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587546725 XKFIFPVXCNVRMC-BHBYDHKZSA-N 518.009 6.158 50 1 KKGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F 587548026 MPZOYLMAUVROKB-UGKGYDQZSA-N 509.274 5.672 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 587672246 FGXUFMOQVYSPNK-FVINQWEUSA-N 549.065 6.723 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 587717996 HFISIGCDPRDORM-HQRLLJBISA-N 503.078 5.456 50 1 KKGF N#Cc1ccc([C@]2(CCCCCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962576861 YLXZVOJVZXKMEZ-CYEXUTLASA-N 592.095 6.866 50 1 KKGF FC(F)(F)c1cccc(-n2cc([C@@]3(CCl)c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)nn2)c1 962635178 MTXFWWVZNFCFKX-RPLLCQBOSA-N 523.990 5.515 50 1 KKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962639675 VRTNCDRKLFGJMZ-HFZDXXHNSA-N 566.876 5.745 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@H](c2ccc(OCCCl)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085503 PVEBUOGPKKSQJC-AMAPPZPBSA-N 740.145 8.350 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)(c2ccc(Br)cc2)N1 963162248 NGYOODYKZNUSBX-SHUZPENHSA-N 653.020 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CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@H]1C2 2356776038 CRDHWQJVDBBPCX-BJSDFSLXSA-N 625.941 7.167 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CC[C@@H](C[C@H](NC[C@@H](C)O)C4)[C@H]3O)C=C12 2356845808 OHTUFWHVFZAGPO-VPDVZHBNSA-N 903.265 5.674 50 1 KKGF CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CCC(CCCl)CC2)C1 28760029 CBSLTWYHIKTWIP-QFIPXVFZSA-N 575.200 5.048 50 1 KKGF CCC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CCC)NC(=O)c1ccccc1 36176421 HPGZOBMWVCIJEN-PSWAGMNNSA-N 508.659 5.306 50 1 KKGF CN(Oc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1)C(=O)OC(C)(C)C 72138007 CXSFIOMPRQFVSV-HSZRJFAPSA-N 664.162 8.198 50 1 KKGF N#C/C(C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1/SC=C(c2cc3ccccc3oc2=O)N1c1ccccc1 150610528 OMKYAJNNGHBPOH-XAOZPDQWSA-N 660.711 6.003 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 169349035 XXYWFFFNGNMCNB-FYJSXSSGSA-N 816.166 7.725 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 169615615 CRSJHIRCVZDTHB-KBYRUUJYSA-N 832.066 7.556 50 1 KKGF C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C 195351760 VBHUWAKWJKICLR-AEUNEODTSA-N 654.946 6.662 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299830027 LTLNAIFGVAUBEJ-YEUBPBTGSA-N 826.475 6.085 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299842841 YCOIJPSIDUQDNN-BGMVMJHASA-N 812.448 5.694 50 1 KKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586983817 CQBZHDDYOUQREF-NGSRUVMCSA-N 513.229 6.077 50 1 KKGF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587018608 JVWMKUIPXIICDM-UHFFFAOYSA-N 593.268 9.739 50 1 KKGF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587072293 QLWCBGLAFAHWCM-IKQGRDNBSA-N 562.229 9.656 50 1 KKGF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587086836 MYLNBJJLOPBMER-VOTSOKGWSA-N 588.227 9.013 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)n2)cc1OC 587376806 QCCWTMUKTYEDNK-YRKLHJTHSA-N 565.022 6.316 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 587673468 NALXEOXPHYKHRF-WNSKOXEYSA-N 517.240 7.176 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 587737978 IWPKBQIVSZNIHL-BSEYFRJRSA-N 613.696 6.441 50 1 KKGF COc1c(C(C)C)cc2c(c1O)[C@@]1(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CCCC(C)(C)[C@@H]1CC2 587932819 RKMHAUUPGLAWDW-KDYSTLNUSA-N 544.630 9.117 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3[C@@H](COc3cc(F)cc(F)c3)N=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587944186 CLIFIFSFUKMMDR-NTUNLYNKSA-N 550.555 5.403 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F 961751574 RYOPNPXDLBMFSQ-XMMPIXPASA-N 561.389 6.773 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCl)(c1ccc(Cl)s1)N(C(=O)c1ccccc1N)CC2 963138846 JZKMGHRAPOMLKA-VWLOTQADSA-N 505.467 5.962 50 1 KKGF CCCCCCCCCCCCCC[C@]1(CBr)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963549250 JHHYUXHDRMFHJB-DHUJRADRSA-N 688.673 10.039 50 1 KKGF CCCCN(CCCC)c1ccc(/C(C)=C/C(=O)O)cc1NC(=O)N/N=C/c1ccccc1C(F)(F)F 1857565277 OMOVJASVWKLCAY-DLCYTLQASA-N 518.580 6.756 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSS[C@H](Cc5ccccc5)[C@@H]3O6)C4)C1)C2 2356299767 GTEOLYKODCLBJO-RLGALAFLSA-N 974.258 10.403 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc5c(cn4)CC[C@@H]4CC6(CCCC6)C[C@@]54C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356299775 GTMQNVSRHDCCQA-YJLVVLCQSA-N 869.071 5.738 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]56C[C@@H]7Cc8cccc(c8)N[C@H]8[C@@H](O)CC[C@@H](CC#CC[C@@]35[C@@]4(C)[C@@]21O)[C@@H]8SSC[C@@H]7C6 2356375585 DJYZTSJVKANTLM-CZIBIKINSA-N 633.920 6.608 50 1 KKGF CCCCCC[C@@H]1[C@@H](CO)C[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356479456 QOZINMHYBYKTIY-BCSUUVKNSA-N 533.848 6.079 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C[C@@H](C6CCCC6)C[C@@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356545759 ZCFBFDBOWICTBU-XHNWYOBWSA-N 939.213 8.224 50 1 KKGF C[C@@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356597764 UBQWRSUQFVDQJA-WIKAUBCWSA-N 531.832 5.833 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCC4(O)CCCC4)C(=C(C)C=O)CC[C@@]3(C)O)[C@@H]2O)COCC#CCC(C)=CCC1 2356617318 XPHWCOOGJHTUGU-ZHQPMJBHSA-N 576.818 6.694 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356655968 DAVJUNNYDKQWTJ-BKJWWSQHSA-N 727.043 6.609 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@@H](C)CC[C@H]3Cc4c(c(OC)cc5c4[C@H]1[C@H](O)[C@H]2O5)-c1ccc(O)cc13 2356774578 AUCPKZIIIKBONE-MJOZMJOSSA-N 646.827 7.138 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@H]([C@H]3CNC(=O)C34CCCC4)C1)O2 2356827795 IPOFOYZGPRFLCG-LHYGWSTLSA-N 922.041 5.036 50 1 KKGF Oc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(O)cc2)cc1 26666342 NTYANSDSYCAWHM-UHFFFAOYSA-N 562.890 5.659 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O)C[C@H]1O)Cc1ccc(-c2ccccc2)cc1)C(C)(C)C 84758148 YNPGDSJLNVNNFA-MIYQMFTLSA-N 732.922 5.828 50 1 KKGF in-vitro CC(=O)O[C@@H](C[C@@H](OC(=O)[C@]12CCCC[C@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@@H](CCO)CO3)CCNCC1)[C@H]1CC[C@@H](O)[C@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 150347260 BSIAWCWEKPJUHQ-OGZAXVHTSA-N 934.316 6.389 50 1 KKGF biogenic,in-vitro COCO[C@@H]([C@H](CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C 170128806 PSRRUEPWXFJQOG-HBMTYJCASA-N 587.786 5.460 50 1 KKGF C[Si](C)(C)O[C@H]1CO[C@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](OC(=O)Cc3c[nH]c4ccccc34)[C@@H](O[Si](C)(C)C)[C@H]2O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 238747051 HBCHLHOVNYPIHS-RUMTXHEVSA-N 974.724 9.918 50 1 KKGF COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@@]2(Cl)[C@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl 254075220 DZSXSEOBPROUOW-WNXIRNOKSA-N 636.098 5.941 50 1 KKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccnc4cc(Cl)ccc34)c(-c3ccc(F)cc3)c2C)ccc1O 473086804 CUBPLGIQFNYQMB-VWJSQJICSA-N 529.959 5.667 50 1 KKGF O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1Br 473153269 ZPSZTAGDELOFFG-DHNIRKAVSA-N 607.481 7.097 50 1 KKGF Cc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Br)cc1[N+](=O)[O-] 586980421 YGDUTMKLAAGZCY-UHFFFAOYSA-N 537.102 7.629 50 1 KKGF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587267298 WUWAYXJRYOHYPH-NXSYQRQQSA-N 562.271 6.333 50 1 KKGF COc1cccc(COC2=COC(CCl)=C[C@@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 587326483 LOWLZMWGBQHXNY-IXCJQBJRSA-N 508.929 5.849 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587685254 OYQPJDOANMLOCJ-ASHKIFAZSA-N 592.292 6.144 50 1 KKGF C[C@H](Br)[C@@]1(c2cc(F)ccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717558 RNGZKDMAACURGD-RVNALINQSA-N 710.566 7.109 50 1 KKGF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2cccc3ccccc23)(c2cn(CCCCCBr)c3ccccc23)N1 962949580 PYXLECNQTHZQQV-HOYUZMNJSA-N 590.609 9.057 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1/C(=O)c2ccccc2[C@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962959781 QKBWLPQPFIGMSD-KXOKJJJCSA-N 547.577 5.005 50 1 KKGF CCn1c(-c2ccccc2)c([C@]2(CCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc21 963176325 HLRUKYOEJQCVBH-AJTFRIOCSA-N 547.404 7.082 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963191034 SGANTRLELSESBB-VBKPMLQRSA-N 628.563 7.865 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2cccc(Cl)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937189 CZZUXCNKSOOWTM-QWZLPZRWSA-N 648.678 5.959 50 1 KKGF O=C(N/N=C/c1c(-c2cc3ccc(Br)cc3oc2=O)[nH]c2ccccc12)c1ccccc1Cl 1772571655 PPPHYDLWEXLRBX-XODNFHPESA-N 520.770 6.121 50 1 KKGF Cc1ccc(Cc2nnc(NC(=O)/C(C#N)=C/c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)s2)cc1 1911583193 GMVMPEFURFBOMF-HMMYKYKNSA-N 551.049 5.404 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356295031 XMXSOSPFFYSUEX-WARRZFQZSA-N 797.101 6.077 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356301130 REKSFDNMCMQDCG-MYGJEZSUSA-N 939.254 8.618 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@@H]4C=C[C@@]1(C[C@H]4C3)[C@@]1(C=CC[C@H](C)C1)C2 2356355598 UTHZQAHJLYJINU-UHQGQBATSA-N 683.084 9.738 50 1 KKGF C=C1C=CC=C2[C@H](CCC[C@@H]3C[C@]4([C@H](CCCO)C(=C(C)C=O)CC[C@]4(C)O)[C@H](O)[C@H]23)OCC#CCC(C)=CCC1 2356361295 YDGMHVQMNWFQPU-RZGSMONHSA-N 562.791 6.160 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356364556 YOJJLWYJQIKEPC-YXKNWJBGSA-N 571.849 6.072 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@H](C)C3)C2)C[C@]12CCC1(CCCC1)C2 2356601094 JAQAIDACYUMOBX-REYWVDFJSA-N 767.246 11.770 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356776532 UPCALCNATWKCQI-ZTECYNIESA-N 958.389 8.109 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356810554 AYRKPYUVSHQZIF-BPHFRDRHSA-N 965.292 7.912 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@H]([C@@H]3CNC(=O)C34CCCCC4)C1)O2 2356811315 BMXSJWCMVCVKGF-AJSXOXIFSA-N 936.068 5.426 50 1 KKGF Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2s1 26405013 MRDDJURJHLXBQH-GOSISDBHSA-N 556.043 7.378 50 1 KKGF COC(=O)c1c(C)[nH]c2c1[C@H]1C(=C[C@@H]2OC(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)/C=C/c2ccc(OC)cc2)C[C@H]1CBr 28108938 LSAHHCLHCBLVPW-RUGCCUIGSA-N 695.655 5.794 50 1 KKGF c1cc2c(cc1COCCCCCCNCCSSCCNCCCCCCOCc1ccc3c(c1)OCO3)OCO2 43409178 CGKSDNUTSCRZBG-UHFFFAOYSA-N 620.878 6.559 50 1 KKGF CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOC)C1 85596939 HOMMFWZRPGECIA-UCNOGFSGSA-N 727.006 6.707 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 85597392 NEEHQXFBTHMKGK-GUZYMRFCSA-N 633.832 7.893 50 1 KKGF biogenic,in-vitro N#CC1=C(NC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 102086187 CVKSFUZQIVSUIF-BHDXBOSCSA-N 629.592 7.090 50 1 KKGF CO[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/c3coc([C@@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O 169687720 VIFOVINDEXWVQN-RACWVGBSSA-N 878.010 5.383 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O 195434895 UTZJOXWHDDRMBE-PEUUUNBQSA-N 590.874 7.304 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[Si](C)(C)C)[C@@](C)(CO[Si](C)(C)C)[C@@H]5CC[C@]43C)[C@@H]2C1 238783804 HUKXXXJMJPMTML-VVMZJTOISA-N 689.259 11.218 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O 253907815 SCGKCIFKZFNKSL-YXQNXEIMSA-N 605.212 6.791 50 1 KKGF C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CC[C@H](C)C/C=C(/C=O)[C@@H](C)CC[C@H]1C(=C)CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]12C 255286733 ZDANNBYRXLXFSO-XJTJJHGLSA-N 622.931 10.061 50 1 KKGF CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC=C2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 299849150 ZDHZLSKPLHWFMW-HYKZNFODSA-N 514.955 10.664 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1ccc(Cl)c(Cl)c1)=N/O)/C(Cc1ccc(Cl)c(Cl)c1)=N\O 299864268 RCVGFOXFVPRGFA-GOLAWLNDSA-N 612.388 5.360 50 1 KKGF O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1I 473152716 VSCNURWYQHJYMN-IIXSRDTASA-N 654.481 7.138 50 1 KKGF CCC(=O)O[C@]1([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587509018 VVFJUZQBKRIWDT-JQZFVXERSA-N 639.204 6.817 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br 587558251 VWHSIOCCJNLDQJ-HRAATJIYSA-N 577.027 6.811 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 587671912 BKCWYKFAFMUKFX-LMKMVOKYSA-N 562.277 6.510 50 1 KKGF CC(=O)O[C@]1([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587685427 QNTWNACIUDDQSA-PCQCFSOFSA-N 667.487 7.979 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)N[C@H](C)Cc3ccc(F)c(Br)c35)[C@@H]2C1 587716178 IVSOWDUZGJINPX-JPSCDZGRSA-N 606.979 6.854 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1ccc(Cl)c(Br)c1 962369342 CXQVTQAHNHIZCB-HXUWFJFHSA-N 514.714 6.199 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(F)cc2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963090759 IFCPOIBSHUBGNI-DBLPQEKOSA-N 620.562 8.156 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CCCCCCCl)(c2cccc(I)c2)N1 963226307 LJBFRTXSOASFNQ-ZCYQVOJMSA-N 548.852 5.871 50 1 KKGF COc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 1857618343 PBRLQJMHHLQTRQ-WEAWZCMZSA-N 606.635 5.590 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(OC)cc2)nn1 1857632476 SUKGDPHUFCNLGN-MCDHGSIYSA-N 519.686 6.083 50 1 KKGF [N-]=[N+]=NCCOCCOCCOCCO[Si]1(OCCOCCOCCOCCN=[N+]=[N-])n2c3c4ccccc4c2N=C2N=C(N=c4c5ccccc5c(n41)=NC1=NC(=N3)c3ccccc31)c1ccccc12 1857744651 SICNRQDLUTXUFY-UHFFFAOYSA-N 977.088 6.125 50 1 KKGF Cc1ccc(-n2c(-c3cc4ccccc4oc3=O)cs/c2=N/NC(=O)c2cc3ccccc3oc2=O)c(C)c1 1857751600 BMHRASKXCYGQNY-NHQGMKOOSA-N 535.581 5.281 50 1 KKGF CCCCC[C@H](C)C[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356299883 IINNUXIDJDEGFG-MUPBMADQSA-N 900.264 11.402 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356301864 ZCJTYOZRTOZWOO-KZRFAWOWSA-N 985.415 10.121 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@H](CCO)[C@@H]2CC[C@@H]3[C@H](CC)N(CCCOC)CC[C@@H]3[C@]21O)C4 2356353832 CVJATYXTCFKNNM-VKHHGGANSA-N 979.177 5.647 50 1 KKGF C[C@H](CC=CC(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@]4(C)C(=O)O 2356419935 JTYXNNOTXILRNY-LDWKTYLDSA-N 504.708 5.673 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356541129 OSBNGOHIYXYKDI-NTZIQFGSSA-N 784.146 6.023 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356826254 HWJMMVOGPDSAIE-RZVLYGTDSA-N 829.006 6.803 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC5=C(CN4)[C@@H]4C[C@H]6CC7(CCCC7)C[C@@]56[C@H]5[C@H](C4)C[C@@]4(CO)O[C@@H](O3)[C@H](O)[C@@]5(O)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356827110 HNJIGVNBHAFTHQ-CTGUAWGUSA-N 909.136 5.404 50 1 KKGF CNC[C@@H]1C[C@H]2CC[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCC4=C(N)N[C@@H](Cn5cc6cc[nH]c6c5)C=C4[C@H]4C=C(C=C(N)N4)CC[C@H]4O[C@@]24C(=O)O[C@@H]13 2356843036 NBCAKURIMWVVET-UMKWZOPCSA-N 894.133 5.672 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@@H]4C[C@@H]5CC[C@@H](C4)[C@@](CC)(C#C[C@@H]3C=C12)C5 2356870533 XSLCOXYOXHOVIO-UHENQEIZSA-N 856.208 6.971 50 1 KKGF c1ccc(COCCCCCCNCCSSCCNCCCCCCOCc2ccccc2)cc1 28219047 KZCJZNBYYBTJGJ-UHFFFAOYSA-N 532.860 7.101 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc(Cl)cc34)cc2)N1c1ccc(Cl)cc1 45299180 GEHKJLPJNDYFAG-BJKOFHAPSA-N 500.765 6.374 50 1 KKGF Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccccc2)cc1 84635073 MEOCOIRHCQFIGS-LGJNPRDNSA-N 555.230 5.375 50 1 KKGF O=C(NCCCCCCSSCCCCCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)/C(Cc1ccc(O)c(Br)c1)=N/O 95538247 CIAFMPBQTKDTGC-DKKRNIPZSA-N 776.614 6.803 50 1 KKGF CN[C@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@@H]4c6c-5ccc5cccc(c65)[C@@H](SSCCC[C@@H]3O)[C@@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 150343749 BWSXWTIAMOWIFE-JKFSXSGLSA-N 908.198 10.528 50 1 KKGF biogenic,in-vitro C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 169358776 LOXUGGFFDIDMLB-BALCDOGBSA-N 508.699 7.000 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169615512 CRSJHIRCVZDTHB-AQJLFUAZSA-N 832.066 7.556 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 299820805 DSPINUQBRPPQOY-QLQYKETESA-N 574.628 5.871 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc([N+](=O)[O-])c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190373 NNOCYIFEYNKLGG-RJCQRBOISA-N 606.764 6.503 50 1 KKGF CCCCNS(=O)(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587190828 SFAJVFIVIRKDKQ-UTDOBGAJSA-N 696.955 6.673 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 587220975 HHUUGVKSCNFXAU-VMPREFPWSA-N 780.614 7.864 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329613 YRNPLMIZCQIRSG-BHBYDHKZSA-N 562.380 6.209 50 1 KKGF O=C1C[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587505886 IWGLPTCGZJNDBG-HXUWFJFHSA-N 518.167 6.602 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 587672704 HEIDFJSGSUFRIT-ZLOXQWCVSA-N 558.116 7.616 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(I)I)(C(F)(F)F)N1 587739028 SIYRTRLFXLOGRZ-GCXOYZPQSA-N 577.923 5.076 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2OC(CO)=C[C@@]32c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 963083574 CVLVJEDDFBAJDW-WJJKTAAPSA-N 715.806 6.820 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCCCl)(c2cccc(OC(F)(F)F)c2)N1 963192114 YHTWELLLJWPJCX-IFMALSPDSA-N 558.346 7.289 50 1 KKGF CC(C)(C)[C@@]1(/C(C#N)=C/c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963688309 RVJQYKVTOLWMJZ-HPAIVWGBSA-N 603.075 5.129 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(SC)c(NC(C)=O)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963929746 WVBONRCKGHXBLX-ODTAATPOSA-N 717.379 5.986 50 1 KKGF C/C(=N/NC(=O)OC(C)(C)C)C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12 1772574817 XEGLCBDFFIPPCW-DBFSUHOCSA-N 560.290 7.207 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@@H](OC(=O)CCC(=O)O[C@@H]2O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]2C)[C@]64OO5)C[C@H]1C[C@H]3OC(C)=O 1772602502 JCWKFHLEFOMELF-CBZCJVIQSA-N 873.090 7.761 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(Cl)c(Cl)c4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(Cl)c(Cl)c4)cc23)cc1 1857564488 KNEYMTFGIXGZSH-UHFFFAOYSA-N 870.624 7.998 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356292367 QEOACWIESFHLCB-BUNHYTGOSA-N 795.085 6.158 50 1 KKGF CCC[C@@H]1[C@H]2C=C[C@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356317738 OQKBXJAYKUBWLJ-UZVZWVJPSA-N 870.150 8.733 50 1 KKGF CNCc1cccc([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@H]24)c1 2356445940 UAGDOPPOQNCNBA-RLUXSOLFSA-N 666.998 5.630 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OCC=C(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(CC)=C1C 2356455677 DULFITMGTLVBII-JSQDWLMKSA-N 841.150 12.314 50 1 KKGF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](OC(=O)C(Br)Br)C[C@H]1CC3 2356549312 YERYMYTVRYIPQM-SYZHKBPSSA-N 598.504 9.510 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@H]5C[C@@H](Br)[C@@]4(OC2=O)[C@@H]3C1 2356575085 AKRMZTJSFJYCJR-YPNYUUQWSA-N 535.607 7.282 50 1 KKGF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@@]2(C)[C@H]3CC[C@H]2[C@](O)(CCl)[C@H](O)C[C@H](C)[C@@H]2C[C@@H]2C)C1 2356607283 TWHOFQMFCFCUBZ-VYOLXUGVSA-N 541.213 5.618 50 1 KKGF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NN(c1ccccc1)c1ccccc1 2356732622 LJDJHYHISCPTMX-BHBSRLOASA-N 504.715 7.289 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@]2(O1)O[C@H]([C@]1(C)CC[C@@H](Br)C(C)(C)O1)CC[C@@]2(C)O 2356799490 UMYRCGIBKPWTMV-AJGJEUHPSA-N 603.635 5.309 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSC2(CCCCC2)C2=C(N)NCC=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 2356827081 HNCGYBBFPHBQOW-QFXJXGCPSA-N 734.941 5.236 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)N[C@@H](Cc5c[nH]cn5)C(=O)NN)CC[C@]4(C)[C@@H]3CC[C@]12C 28826814 HEIMOAMQOSNFRJ-FEPFYLGSSA-N 581.846 6.447 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 58482479 RKLDGEIKBMOFAU-NICQZLNSSA-N 563.474 5.440 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2c(Cl)cc(Cl)cc2[nH]1 95544683 RIOJMNDNYHZZFM-MPEKPHCYSA-N 787.685 6.963 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CCC=C(C)C)[C@@H]1Cc1cc(C(=O)O)cc(Br)c1O 96085357 JGBUIUFDBKKZNT-WBNSUDINSA-N 568.390 8.294 50 1 KKGF in-vitro Cc1c(CBr)c(=O)oc2c3c(ccc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 169336315 QNGGALWFQXIXAT-TZGTWNRBSA-N 729.617 5.907 50 1 KKGF C[C@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@@H](NCc2ccccc2)[C@@H]1O 169360020 OLQRKMUWNZXFCQ-TYKCLYAQSA-N 545.595 5.566 50 1 KKGF C[C@]12CC[C@@H]3[C@@H](CN=C4[C@@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N(c1ccc(Cl)cc1)C1CCCC1 169713796 KIRJENQTDJNKGS-FBZXVHGXSA-N 529.552 7.106 50 1 KKGF CCCCC[C@H](/C=C/[C@@H]1[C@@H]([C@@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC 195498944 TXNZEFWXAGSEPE-PBNMSSDCSA-N 586.883 6.209 50 1 KKGF CCCCCCC[C@H](Cl)[C@@H](CC[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O 231928778 QQYZBYZNIRPGDE-FDFHNCONSA-N 571.626 6.860 50 1 KKGF FC(F)(F)c1cc(-c2cccc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc(C(F)(F)F)c1 587112886 VVBZTPSZKFTKNR-UHFFFAOYSA-N 532.378 9.592 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189470 CBYRAEPABLSIOH-RJCQRBOISA-N 596.212 7.248 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 587710645 GTSYSTMFFFXAKN-XYZCENFISA-N 515.570 6.433 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1cc(Br)cc(F)c1F 962375376 SKRUDFXZSYFQAZ-FQEVSTJZSA-N 516.249 5.824 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672985 FLLRVZVJWAXGSU-WWOZWPLTSA-N 589.054 5.971 50 1 KKGF C=CCN/C(SCC(C)=O)=C(/C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)c2ccsc2CCN1Cc1ccco1 962703389 GWGZIUWJCDSBOH-NOODPFPGSA-N 657.865 7.427 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CBr)[C@@H]1CCCc2ccccc21 963064328 KNAGAMZRIIAGNI-SKVPMLHLSA-N 583.523 5.876 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1/C(=O)c2ccccc2[C@]12c1cccnc1CCN2C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963587834 XTWIYLVMWFDJQP-IKVVTWMSSA-N 675.667 6.007 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@]34C)[C@@H](O)CC1=C1CCCCC1 2356371944 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DDHQCOKWAAIDPK-OBJJNMTNSA-N 724.938 7.419 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@@H]21 2356634546 HKJSNLGQALZKKO-MLNOCLFBSA-N 584.389 6.767 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCC(CCCO)CC2)Cc2cccc(c2)C1 2356636353 FVOAAAZNNKDQHR-CDBDWWNMSA-N 957.347 6.908 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@@H](C)[C@@H](O)c2cc(O)c1c(O)c2 2356652660 LERNCFONJSWYRR-UELQJCDLSA-N 653.728 10.014 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O 2356742963 ONWXQAXZVDMDPV-XZPZHKMSSA-N 652.831 7.304 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@@H](CC)C1)C4 2356769691 LFPJUMCZUPGENK-JJLUXXBISA-N 871.037 5.093 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CCCC[C@@H](CCO)C#C[C@@H]3C=C12 2356837247 LIKVIGVIUQIDBZ-XHWOEJGPSA-N 864.184 5.324 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H](C2(N3C=CNC3)CCCCC2)SSC1 2356837626 LLLKZBXJCHXJBV-ZCNWTKJPSA-N 662.922 7.495 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(C)C(=O)O[C@@H]1C3 2356851720 QIYMZJZSRYBWCN-CGNWTPAZSA-N 780.929 5.607 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356853213 JJXIXWIQPXMKKY-BKYVHZKJSA-N 728.957 6.878 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNC3=CC(=CCN3)C2)CCCC1 2356853402 RGGYDAUWSVZBDX-CKHFTFPASA-N 732.025 7.284 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@H](O)C2CCCC2)C1 2356856171 RXZXZMRUPZGBHU-YVFIVDGBSA-N 931.319 6.454 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356871459 YBGMGVBVSRDZFV-IMZQNXOPSA-N 768.014 7.138 50 1 KKGF CCCCCCCCCCCCCC[C@H](Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 38152465 ACGDWZIDYDEKBV-WNJJXGMVSA-N 637.059 8.769 50 1 KKGF O=C(c1ccc(F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72175767 REYQLADGCNWVSY-QVIHXGFCSA-N 545.327 7.025 50 1 KKGF CC[C@@H]1C[C@@H]2CC[C@H]1SSC[C@@H]1C[C@@H](Cc3cc(O)cc(c3)Cc3ccccc32)C[C@H]([C@@]2(C)C=CC[C@H](C)C2)C1 103574421 WUJRZIIBPABWBF-BGKWKXOZSA-N 574.940 10.608 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C=C(C)N(c2cccc(C(F)(F)F)c2)C(N)=C1C#N 103950535 OBLCOKZYSHJJQN-KRWDZBQOSA-N 533.356 6.531 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@](O)(COC(=O)CCC(=O)O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253633388 LKGRAXYPFZAARJ-JCWZDZKGSA-N 722.869 5.407 50 1 KKGF C=C1[C@@H](C)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)C[C@H]1OO 255197354 AWPZOHYJIUEPGA-YTZXZYHZSA-N 500.764 8.064 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1I 587567051 BPOWZZCQMAFVSW-RXVVDRJESA-N 616.043 6.011 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 587682300 LFLQWIKQHCXKEL-HOGDKLEQSA-N 546.028 5.366 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687456 GUCJOPHFXULACI-CXAHNHKCSA-N 500.839 6.473 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CCl)(c3c(-c4ccc(Cl)cc4Cl)[nH]c4ccccc34)N12 962630092 DUNMPCQPZWPTLU-IHLOFXLRSA-N 564.900 7.271 50 1 KKGF N#Cc1cccc([C@]2(C(Br)Br)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c1 963188477 JQQJKGAMYABMHS-UKILVPOCSA-N 521.256 6.041 50 1 KKGF CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 1857558012 QCVAULIYZATFDX-QFIPXVFZSA-N 609.148 7.524 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857585368 UBQWLOSVKJVOGR-MRXNPFEDSA-N 581.425 6.545 50 1 KKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccccc2C(F)(F)F)cc(C(F)(F)F)c1 1857650373 HLEIHPPSUQQTBU-UHFFFAOYSA-N 508.890 6.272 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1C(C#N)=C(N)N(Nc2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 1911585644 IOYBMXVDWGBVND-SSEXGKCCSA-N 653.556 7.638 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@@H](Cc1cccc(CO)c1)[C@@H](CC=CCCC1CCCCC1)C2 2356356517 ZSBZNYFSKQSOBD-PUHUFGMCSA-N 720.098 9.253 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356365114 FULNLRDXYJQSJM-XBIGDCSESA-N 819.181 7.217 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](C1CCCC1)[C@]52CC4=O)CCNC(=N)N3 2356481280 KJYMLMHGIXSSJO-HZRGETQFSA-N 517.805 5.299 50 1 KKGF CCCCCCCC(=O)OCCC=C[C@H](Cl)[C@H](O)[C@@H]1OC(=O)C=CC=Cc2nc(oc2C)C=C(C)CC[C@@H]2O[C@H]2[C@H]1OC(=O)NC(C)=O 2356692215 NUFYUEFOFGVVLM-OYLDNGMHSA-N 691.218 5.888 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@]1(Cn3ccnc3)CCN[C@H]3NC=C2C=C31 2356819194 DZXGPXWWFSWXMV-RCYJMSOPSA-N 618.825 5.534 50 1 KKGF CCCCCc1cccc2c1CSSC[C@H]1C[C@@H](CC[C@@H]2CCc2ccccc2)CN2C[C@H]3[C@H](CC[C@@H]4[C@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]43C)[C@@](C)(O)[C@@H]12 2356870529 XSKYQGYTRSZOGE-WSMYYKIPSA-N 800.272 10.709 50 1 KKGF C[C@@H]1[C@@H](CO)C[C@@H]2CC3=C4CCC[C@H](N=C(N)N)C5(CCCCC5)SSCC[C@]2(C)[C@]31CC4=O 85549537 YQLXRZZYHNALCQ-OWNJZENDSA-N 505.794 5.217 50 1 KKGF biogenic,in-vitro CO[C@]12C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@]34[C@H](C1)C(C)(C)O[C@]4(C/C=C(\C)C=O)C2=O)C(C)(C)[C@H](C)O5 95915107 LLUOWYAXWXVGKY-JJVXVGLVSA-N 576.686 5.270 50 1 KKGF biogenic,in-vitro CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C\C=O)C(C)(C)CCC1 145562066 BHSZYKGHISLXHM-FGPXOVSISA-N 508.790 10.781 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@@H]3CC[C@@H](C[C@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H]4CCC[C@@H](C4)SS3)[C@H]2O)c(O)c(OC)c1O 150342885 UPUOMSALGOGYLS-BEPABDEISA-N 738.921 6.733 50 1 KKGF biogenic,in-vitro CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc7c4C=C[C@H](N7)SSC[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344223 MQEJZJSSWXKNBZ-OQMJTTFNSA-N 654.898 8.691 50 1 KKGF biogenic,in-vitro CC1(C)[C@@H](O[Si](C)(C)C)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CO[Si](C)(C)C)CC[C@]3(C(=O)O[Si](C)(C)C)CC[C@]21C 238775706 JAEMARCYWIQCHR-VSDZWSKGSA-N 689.259 11.218 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299810376 UXZCKFPBCBHVFY-ZCUKPDOOSA-N 897.148 7.237 50 1 KKGF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586940819 GZBNDAGDLRBWCN-VOTSOKGWSA-N 532.354 6.382 50 1 KKGF C[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199733 LZYQBTMROPTCSP-AWEZNQCLSA-N 602.423 8.925 50 1 KKGF O=C(C[C@@H](NC(=O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCc1ccccc1 587202005 ABSFKZREQVKFCI-JOCHJYFZSA-N 555.525 7.321 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587321230 CSDPBURFSVWVDG-BIUQQOFQSA-N 576.407 6.598 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587497589 JHCZQLPOECGOCE-MHTXLSKPSA-N 520.412 6.238 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541310 ATVWIBANRONWOX-ZXVLSZCLSA-N 525.944 5.408 50 1 KKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541319 AVXNJVALNJNCHS-FMYROPPKSA-N 502.950 6.247 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545905 SLQDWBFIOQMECN-UXWDXCIHSA-N 509.986 5.467 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587579494 OAUBYXNUJNCLPJ-WNPNTJLQSA-N 542.591 5.925 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 587672249 FHTZFSKPKZTALG-FYSMJZIKSA-N 519.252 6.340 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1 587688257 KDJJKRLLUFVEON-AMIRBURQSA-N 541.675 7.163 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587689187 QQTWLQMIRJELCN-BYJWKAGXSA-N 592.889 5.891 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 587749205 CPNVOUVRJSSFRX-RQUAFLHJSA-N 538.417 7.139 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587854654 RQQGFFARHYDXPI-WHDAMIPWSA-N 595.365 7.275 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](C)(CCCO[Si](C)(C)C(C)(C)C)N2C(=O)OC(C)(C)C 962706412 JGBWIJCCJCFQJD-WUFINQPMSA-N 521.746 6.494 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@]2(c3cc(Br)ccc3C[C@H]2Br)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963088411 CEYIUVHEKGJJAT-UEHMVRIRSA-N 679.452 8.316 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@]2(CCCC[C@@H]2CNCCBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963205713 XQQXMBLDTPRXDU-APMFXMBPSA-N 593.518 5.910 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2ccc(O)c([N+](=O)[O-])c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364210 DRYGPGPQSDZOGO-ZQAZVOLISA-N 659.489 5.993 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)C=C[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356292699 UOZJLUXYEQXKJX-RQMOFKLESA-N 916.175 8.189 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356299558 DMLLRSNOEOFTQQ-JCAXWTGKSA-N 871.135 7.201 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@@H]2NC(=N)N[C@H]1CCCc2ccc3cocc3c2C1 2356356694 CRLGRWOARSOLAO-LQGQRUMNSA-N 887.314 9.053 50 1 KKGF C=C(C=CC=C(CO[C@H](CO)CCCCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356358818 XRRICYWIGMOVLF-UZRHFPPRSA-N 887.256 7.255 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@@]12O 2356359630 PBKGCUFSKABYCW-KMKRESANSA-N 913.388 11.237 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@H](CCO)CO3)CCNCC1)[C@@H]1CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 2356366189 BSIAWCWEKPJUHQ-QMWDYJTESA-N 934.316 6.389 50 1 KKGF CC1(C)C[C@H](n2ccnc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l)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H]1OC(=N)O 2356516068 KQQDTKLGLAIGOF-IRKJLVCPSA-N 808.668 11.832 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356773491 AMXAZBUZAVHELZ-ROWSJTEESA-N 891.247 8.120 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3c4c2ccc(O)c4OC[C@@H]3CCO)CCNCC1)[C@@H]1CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@](C)(O)CC1 2356779973 ZKMOOGNKSHBLJS-OZJGCBMWSA-N 960.354 7.265 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356836874 LEOPHMYTMTZZMW-RBRYVBLRSA-N 639.968 7.292 50 1 KKGF CNCC[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356865908 VLOPSTVTKRZVDM-ZPPBKUFASA-N 844.021 5.831 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H]([C@@]2(N3C=CNC3)CCC3(CCCC3)C2)SSC1 2356869235 XJWMMDJOIPKGBM-GJHSCVLRSA-N 676.949 7.570 50 1 KKGF Cn1c(SSc2c(C(=O)NCc3ccccc3)c3ccccc3n2C)c(C(=O)NCc2ccccc2)c2ccccc21 27726897 WQRADLHSHDAHEX-UHFFFAOYSA-N 590.774 7.329 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCBr)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 44052571 AWEKTNNNXSTPIC-IRWBCXAZSA-N 563.661 8.087 50 1 KKGF CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NNS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)CC(C)C 49889002 XGMBBGDQKHEJGS-NJHZRGNWSA-N 653.890 5.374 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccccc3)cc1)C2 64549901 AWUQZDPRCIGZMY-DPNNOFEESA-N 543.067 5.796 50 1 KKGF Cc1cccc([P+](Cc2ccc(Cc3ccc(C[P+](c4cccc(C)c4)(c4cccc(C)c4)c4cccc(C)c4)cc3)cc2)(c2cccc(C)c2)c2cccc(C)c2)c1 95551651 RJURRQAEEJIRGF-UHFFFAOYSA-N 803.023 12.116 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(F)c1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96907824 AJUHNNOVEQUUGB-SSEXGKCCSA-N 608.048 7.771 50 1 KKGF Cc1cc(Br)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)C(C)(C)CCl 103210173 OIOGDBNSCZYXEO-UHFFFAOYSA-N 520.777 5.414 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@@H]1C)OO2 139120225 ZNVVWMNCRFBNDN-XKCLLLBRSA-N 648.834 6.831 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(-c3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]c(C(F)(F)F)c(C(=O)OC)c65)cc4c3)ccc2[nH]1 150545076 NRJQNLGQUIWNDT-FGZHOGPDSA-N 981.690 10.266 50 1 KKGF Cc1ccc(N2C(N)=C(C#N)[C@@H](c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1 169309749 PCBVVFRETQYDJF-NDEPHWFRSA-N 529.648 5.616 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COP(=O)(Oc1ccccc1)Oc1ccccc1 170069571 JNQKIRIFEQQRFM-JBRSBNLGSA-N 574.643 5.497 50 1 KKGF COc1cccc(F)c1CN1CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 199801382 UDSOQCWAMOZOQI-MFMCTBQISA-N 628.825 6.420 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299818286 QLCCWSNDASPFBV-HKJYEZAUSA-N 966.013 6.143 50 1 KKGF Cl[P@@]12=N[P@]34=N[P@](Cl)(=NP(N5CCCCC5)(N5CCCCC5)=N1)Oc1ccccc1CN3CCN4Cc1ccccc1O2 299839206 XFPLDABCDQYLQX-CBULZRFXSA-N 687.430 10.037 50 1 KKGF CS(=O)(=O)c1ccc(C(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586926286 NLIJCLGMNFQLTR-UHFFFAOYSA-N 533.338 6.202 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)ccc2F)[C@@H]1c1ccc(F)cc1 587328082 IRHUATCWQHQTSG-IFMALSPDSA-N 513.256 6.339 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccc(F)cc1 587333624 KVKSCEOAVSWPSY-XRKRLSELSA-N 507.964 6.630 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)CC(=O)c2cc(C)cc(N)c2O1 587409137 KMFSLBAVYMDHNH-BDYUSTAISA-N 511.172 6.679 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566993 DBOPOGGHOFMORN-LEAFIULHSA-N 538.358 6.267 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587673335 MBLKTZHEZRMMHB-DYBLOJMWSA-N 512.044 6.076 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587684235 KLKGNWUBLXJGOX-CQFVWGDYSA-N 667.487 7.979 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 587727322 NXSPOWVGFXJOGK-OZAJXLCCSA-N 540.235 6.384 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 587801240 FCAQEFASVRJXKL-LIYGIWOTSA-N 518.386 5.866 50 1 KKGF COc1cccc([C@H]2C[C@H](NC(=O)CCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 621485657 DTIDLJDGDQHWNR-PMACEKPBSA-N 586.607 5.155 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CBr)(c2cc(F)c(F)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962579094 ZXSCYRMWYCITSI-MXBOTTGLSA-N 623.425 6.398 50 1 KKGF CC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@]3(c4ccsc4CCN3Cc3ccco3)[C@H]2O1 962703343 GKEBHVRPGIVGHK-ZGHMXWQUSA-N 615.868 6.048 50 1 KKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]2(CBr)c1ccc2ccc3cccc4ccc1c2c34 962718107 XPMPBTUZYRZWCG-CHJDUVSTSA-N 530.506 7.725 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)[C@@H](Br)C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 963177644 VLLDODVCPAHNEA-BCTCQDNWSA-N 788.871 8.939 50 1 KKGF CC(C)(C)OC(=O)N1CCC([C@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CC1 963181281 OAWXDPFTOPVAKR-UWJYYQICSA-N 555.819 5.195 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)c3cccc(Br)c3CCN2C)cc1C 963282824 YGDNSGABKDAWTR-NSOVKSMOSA-N 510.903 6.905 50 1 KKGF CC[C@@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963704968 PWWCJDXNUJHYDD-XAVSPQRJSA-N 613.154 5.855 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCCCCl)(c1cccc(Br)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963729927 KVISUVXVMKSKAY-JGCGQSQUSA-N 623.975 7.258 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@]34C)[C@H](O)CC1=C1CCCC2(CCCC2)C1 2356370832 UNQUAMKASISBPQ-RPKGBPBOSA-N 793.193 8.874 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)c6cc[nH]c(=N)c6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](OCCO)CCCC1 2356395137 MPEHMOXGUKZGAH-CYDYFTSCSA-N 818.115 6.491 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(C[C@H]3[C@@H]2C[C@H]2CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]3C2)C[C@@H](CNC2CCCCC2)C2(CCCC2)C1 2356735176 ALCHOLVLMLSLBL-HNSUANGYSA-N 781.273 12.303 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)[C@@H]1CC[C@H](O)[C@@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 2356776104 DMDCPOYTNJXJTI-XNTHGBHISA-N 890.263 6.780 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)C(=O)CC[C@@H]1O[C@H]([C@]2(C)CC[C@@H](Br)C(C)(C)O2)CC[C@]1(C)O 2356794953 LOHFWUWSVGUPFZ-NGEWFLCOSA-N 603.635 5.151 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)CCC[C@@H](CC4)[C@H]3OCCO)C=C12 2356810607 AZFFXGQZTOGGMI-RAPVCPRXSA-N 874.223 6.742 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H]([C@]23CCC[C@H]2C=Cc2cncn23)SSC1 2356832013 HZAJISKWEQDHJM-KBLKWDMNSA-N 672.917 6.877 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356840621 MSUPQLOEIQGQAA-UUPNJWIUSA-N 757.975 6.067 50 1 KKGF COC(=O)c1ccc(CNC(=O)CCc2c(SSc3[nH]c4ccccc4c3CCC(=O)NCc3ccc(C(=O)OC)cc3)[nH]c3ccccc23)cc1 27653396 SEFPCKRFUORUQG-UHFFFAOYSA-N 734.900 7.520 50 1 KKGF O=C(NNC(=O)c1ccccc1)/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)CC(=O)c1ccc(Cl)cc1 28712361 IJIRWZPDIWZTJV-LHLOQNFPSA-N 561.041 6.310 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C#N)ccc43)[nH]c2c(OC)c1OC 34621387 WNQKKFNKWGTFIX-OAHLLOKOSA-N 520.929 5.110 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40685287 LHOIZTRSTKYJAE-HFVLIPCGSA-N 508.949 6.308 50 1 KKGF CCCOc1c(C(=O)N/N=C(/C)c2cc(Cl)sc2Cl)sc(C(=O)N/N=C(/C)c2cc(Cl)sc2Cl)c1OCCC 49710153 GNBFZJRCHZTARM-SLFIVZJBSA-N 670.493 8.370 50 1 KKGF CCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 58538478 QWSKZVZJUNRLOY-CHVRCUNHSA-N 603.841 7.252 50 1 KKGF N#CC(C#N)=C(SCc1nnc(-c2ccc(Cl)cc2)s1)SCc1nnc(-c2ccc(Cl)cc2)s1 71329613 RUKXJLPLMYOBTQ-UHFFFAOYSA-N 559.554 7.456 50 1 KKGF CC1(C)O[C@@H](CP(c2ccc3ccccc3c2)c2ccc3ccccc3c2)[C@H](CP(c2ccc3ccccc3c2)c2ccc3ccccc3c2)O1 82174717 XTRZUIVXMQUJLL-ZYBCLOSLSA-N 698.783 10.385 50 1 KKGF CO/N=C(/C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 95584850 RMSQGHNEVGHPJO-JVNGKKNLSA-N 605.769 5.880 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccccc2Cl)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293504 UMDROTFLAHPLPU-UHFFFAOYSA-N 511.087 7.460 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1c2ccccc2c(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2ccccc12 150576062 KIDASLYQXJMGHQ-ABVJRLAMSA-N 979.714 10.742 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCc1cccc(CNC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c1 150595322 ZXHKDRYONYBPAA-UHFFFAOYSA-N 776.968 7.597 50 1 KKGF C[C@]1(C(=O)OC(=O)[C@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@H]32)CCC[C@]2(C)c3cc(O)ccc3CC[C@H]12 195331345 CXSWMXMKWWOTPK-WNEZNHJYSA-N 530.705 6.888 50 1 KKGF N#CC1=C(c2ccc(OC(F)F)cc2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 206031214 WEZDTOOCZWOCMC-QFIPXVFZSA-N 534.403 6.264 50 1 KKGF COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc1 299835048 LNZBDXTWOYIZKI-AREMUKBSSA-N 510.590 6.043 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 587376305 WMOFSFCVWSLCAK-JOMNFKBKSA-N 562.062 6.952 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 587461560 RNXIMGRLGNPDAU-HHHXNRCGSA-N 510.373 5.629 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538024 MHEXPIYLGLICEV-GVYFDSMASA-N 581.547 6.870 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@@]1(C)CBr 587674521 XJMZQYIGYOWZDB-YBXTWBNXSA-N 524.110 5.912 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 587686438 VHVAOEFRPVKNTB-BSEYFRJRSA-N 522.245 6.245 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1cc3c(cc1F)NC(=O)CC3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674652 FNXLOOMAFKANJL-NDEPHWFRSA-N 576.974 5.927 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 963180234 PTQMLMMFUAQMGP-MAUKXSAKSA-N 514.672 5.198 50 1 KKGF ClCCCCCC[C@@]1(c2ccc(Cl)cc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816485 CFZHGTCRUXHWNT-PMERELPUSA-N 507.505 7.979 50 1 KKGF CNCCCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2 2356292304 OBHMDUMZHJPZTI-FTBDDUTKSA-N 863.159 7.766 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356311543 BDCUIUNTQSAWQP-GUQMEBHCSA-N 824.078 8.641 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 2356358157 XMDGJOBRANCNLH-GUAADKANSA-N 680.841 6.587 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSSC[C@H]([C@H]4C=c5ccccc5=CC4)CCc4ccccc4Cc4cc(O)cc(c4)C[C@@H](C3)C2)C1 2356367260 ZJXCALIRMZXQTI-QXFMLGRUSA-N 649.022 9.775 50 1 KKGF C[C@H]1CSSC[C@@H]2C[C@H]3[C@H](CCC[C@]34C=CC[C@@H](C)C4)[C@@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)C2 2356545130 MUPJYKHZWITIRP-LAQKLRBZSA-N 561.901 8.814 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](c1cccc(O)c1)c1cc2cnc1N 2356632891 JSBSDRTYRLAMKE-WZNZRYKJSA-N 602.778 6.986 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSS[C@H]7CC[C@@H](CO)C(=C75)C6)[C@H]4[C@H]2O)O3)c1O 2356693248 DMIOJGCXYNMWOP-PMSRNUSUSA-N 953.276 8.913 50 1 KKGF CNC[C@H]1C[C@@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@@H](C)C3)C2)C[C@@]12CC[C@@H](CNC)C2 2356756011 MGAUJXUOBXOSDP-AAWOSPDCSA-N 756.223 10.045 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356831480 JPMWLUMCVKEGBM-KNYZQSNRSA-N 896.097 6.874 50 1 KKGF O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8829572 JTUINJHDTNXECT-IWWXRALLSA-N 516.581 6.674 50 1 KKGF aggregator COCC/C(SC(=O)O[C@H](C)Cl)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)O[C@H](C)Cl 58548625 IKNUGTAJXWGHAL-JCTVUJFTSA-N 729.830 9.249 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCN3CCOCC3)c3ccccc43)[nH]c2c(OC)c1OC 95544624 JDRGAJQQDKCADY-SANMLTNESA-N 788.254 7.088 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)c1 103195495 NCVDBHXXNOWBEZ-PKTZIBPZSA-N 552.812 5.646 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\N=C4/SCC(=O)N4C4CCCCC4)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118921296 VCPDIYXHXKROGI-KQUGBJOTSA-N 616.400 9.945 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O 160876010 UGRGSIHNBMMWHX-XBVCMULNSA-N 744.160 5.384 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)c5nccs5)[C@@]4(C)CC[C@@H]32)C1 195160287 FLLNDKBDPCPDSU-DBHYXKSRSA-N 515.880 8.320 50 1 KKGF C=CCO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 195505874 BDKQSXIIYZQXSP-FVXJUOQQSA-N 604.860 7.692 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cnc3ccccc3n2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 253682417 CKPJCFKFLBFNMI-IFUQJHDWSA-N 625.549 5.790 50 1 KKGF C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@H](Cc1c[nH]c2ccccc12)C(N)=O 261173089 UFJUEKAJZPTZED-JEOSLGMSSA-N 780.863 5.176 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 586937051 PYLBYFZBGSYSMC-GOSISDBHSA-N 684.555 6.485 50 1 KKGF O=C(Nc1sc2c(c1-c1nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]1)CCC2)c1ccccc1Cl 587030701 JWEIBMDVTVWABF-UHFFFAOYSA-N 598.844 9.106 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538906 SDQAMVPAHZIEQL-HHYLLZJSSA-N 577.515 6.998 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)N1 587671365 RETKWEWULZLOPI-GWGMASDLSA-N 582.149 7.266 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)([C@@H](Cl)C(=O)c2cccc(Br)c2)N1 587678192 JVLRSVMKDXBCSU-AMIRBURQSA-N 630.577 7.381 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587689461 SPPPLLVTRPKVRA-QQFWFLOESA-N 532.797 5.520 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 587711270 JLLSDGGIQGVIDH-CQLKUDPESA-N 517.105 6.058 50 1 KKGF Cc1onc(-c2ccc(F)cc2)c1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963028658 XTVUOTJQAOPNHJ-QABMSTFYSA-N 622.878 6.714 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(Cc1cccc(Br)c1)N(C(=O)c1ccccc1N)CC2 963138143 JKJRONWYLSUJCZ-SANMLTNESA-N 529.862 5.424 50 1 KKGF COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC(=O)CCl)c(OC)cc3c1[C@H](C2)N(C)CC3 1772612098 MTHFINDLKPTYDJ-KYJUHHDHSA-N 685.217 7.298 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@H](O)c2nc(C(C)=O)cs2)[C@@H]1C 2356325968 RYSXYKPCSNNWNU-LVIQQGSISA-N 660.315 6.508 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Br)C(C)(C)O[C@]1(C[C@H]1C(C)(C)[C@H]3CC[C@@]1(C)O3)C2=O 2356336945 UGEWFNIBLSXHJU-NZUIOEJZSA-N 555.893 5.448 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(CCCC(C)C)[C@@H]3CC[C@@]21C 2356360283 CJQWRPGNFCIOCL-FCOHMLNOSA-N 715.079 7.416 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356868066 WXZABYWWYMMZDW-RYOCRDEOSA-N 744.980 5.525 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CCCCC1)OO5 43587140 YEHJSRMXSFVFQI-LPHRYUMJSA-N 576.771 7.043 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](c3ccc(CN4CCC(N5CCCC5)CC4)n3C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49679353 DNYJVDXCFGPBAI-VRCSGWEWSA-N 513.723 5.008 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@H]3c2ccccc2)C/N=C(\N)N[C@@]2(CCCC23CCCC3)SSCC2(CCCC[C@H](O)C1)CCCC2 150348625 DOMGIDUOQAYYCW-YRWUYLNBSA-N 969.412 11.274 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2c1OCO2 150597049 VPFOSFYSZMBVMC-STOQVXJWSA-N 923.603 8.165 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@H](Cc1c[nH]c2ccccc12)C(N)=O 261134946 LWTYDGJEOHWGQD-DCZZNFJOSA-N 822.944 6.202 50 1 KKGF 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](NC(=O)CCCC[C@@H]3CCSS3)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 299811148 HCPJZDPBAYDCJR-VLBZFVOXSA-N 910.246 5.228 50 1 KKGF CCCCC[C@@H](Br)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O 473153899 CTKIBPZMSHJREY-OAHLLOKOSA-N 506.076 6.258 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055226 LBDAYUDMWFSEFK-JAIQZWGSSA-N 513.432 7.173 50 1 KKGF Cc1nn(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c(C)c1Cl 587064951 JIRONNNQNQKFLY-UHFFFAOYSA-N 527.744 8.106 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1 587341725 ZUTWSPRHAZFFLW-LWKLBADKSA-N 558.609 6.462 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587375172 RMAFJSQRJKDLCJ-SUYBVONHSA-N 609.506 7.695 50 1 KKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(NC(=O)OCc4ccccc4)cc1)[C@@H](C2)C3=O 587412187 HUBBBSFCQXQEKR-LVXARBLLSA-N 508.368 5.482 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)[C@H](Br)c1ccccc1 587539528 WWSNIBJPKIBZFN-HUROMRQRSA-N 521.794 7.039 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541942 DUQRRXYDNQBGPZ-LSYYVWMOSA-N 520.368 6.128 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](C)Br)N1 587670673 MILSWJAJYSNSLY-PJYBLOJUSA-N 506.051 5.912 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 587677781 IRMQHAOWQASFSA-WVDJIFEKSA-N 515.604 5.343 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1 587678197 JVLRSVMKDXBCSU-SHAMJUJCSA-N 630.577 7.381 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587685700 AVAATEUZKBFHOC-BOKWIEQBSA-N 592.889 5.891 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 587685755 RPMJTXYEOAUFRQ-OECQAKIHSA-N 511.863 5.693 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587691584 GRJJNEXOXRLOMA-LYDLEGLOSA-N 594.994 6.571 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C/C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 587789726 FPKAKRDFAAHLRS-IBKUQZSUSA-N 617.566 7.735 50 1 KKGF Cc1ccc(C(=O)[C@@H](Br)[C@@]2(c3ccc(C)cc3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962566982 BQIQYUITPAXRFY-HHLHVKDFSA-N 701.617 7.849 50 1 KKGF COc1cccc([C@@H]2C(C#N)=C(C)NC3=C2[C@]2(CC(C)(C)C3)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c1 962633247 LVPLJGLCPQMLIR-FLFAWLEMSA-N 553.581 5.647 50 1 KKGF CC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@]3(c4ccsc4CCN3Cc3ccco3)[C@H]2O1 962703339 GKEBHVRPGIVGHK-OFYIWSMMSA-N 615.868 6.048 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(C2=O)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014568 IYIJTQORCXNQTC-KYNKAWCMSA-N 569.883 5.569 50 1 KKGF CC1=C(CCCl)C(=O)N2CCC[C@]3(c4ccccc4C[C@@H](C(=O)O)N3C(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2N1 963101729 VYSNQMVNGJOZOZ-CCRDISJRSA-N 632.204 6.640 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1cc(C)n(C[C@@H]3COc4ccccc4O3)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963805685 FFGJQHILRLYVEF-WRAWZCCESA-N 654.163 6.193 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)([C@@H](C#N)c2ccccc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948537 VGAFFXZUYLPWBF-ZMYUQOPFSA-N 697.721 5.721 50 1 KKGF Cc1cccc(-n2nncc2CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)c1 1772655332 TXHYJTAWAGFEAH-QNGWXLTQSA-N 612.653 5.745 50 1 KKGF FC(F)(F)c1ccc2[nH]c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)[nH]c2c1 1857562608 CTOFXTNIKHJQMH-UHFFFAOYSA-N 632.471 10.294 50 1 KKGF CCCCCCCCCCCCCCSSCCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCCSSCCCCCCCCCCCCCC 1857609517 DCYVQCPJGYOWFM-KXQOOQHDSA-N 864.348 14.162 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356364663 WDJLEGXOJNZBQI-WMZQGXDJSA-N 712.085 6.808 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356383979 HGJXSAMCAIVHEL-XPFKZCLASA-N 819.140 7.057 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2O)C12CCCC2 2356408313 BEERVUVFHSNLLS-PLNWCSSXSA-N 867.232 9.101 50 1 KKGF CO[C@H]([C@H](O)CC(=O)[C@H](C)[C@H](O)CC[C@H](C)[C@@H]1O[C@]2(CC[C@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@H]1C)[C@H](OC(=O)CCC1=C(C)C(=O)OC1=O)C(C)C 2356752870 AMFQLUYJIGWDCU-SMPHEPECSA-N 750.967 5.815 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C6CCCCC6)CSSCNC6=CC(=CCN6)[C@@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356855955 RUYRWRIFRGKCNO-OBEHEZJFSA-N 756.003 7.138 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5c([N+](=O)[O-])ncn5C)c5ccccc5c43)[nH]c2c(OC)c1OC 27644905 HDDDFDGBRMYSIN-IBGZPJMESA-N 649.060 5.720 50 1 KKGF CC(C)=CC[C@H]1C[C@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C 42835225 QSBKSFLMMQOILO-LZWXSUBHSA-N 534.693 7.064 50 1 KKGF CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(O)C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C 43574867 YULZMZJSERMVLA-VAJWRUOPSA-N 541.611 5.743 50 1 KKGF COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](Br)[C@H](Br)c2ccc(O)c(OC)c2)ccc1O 150612545 NRTHYMDJJORAFX-AHSUMQOYSA-N 677.302 5.542 50 1 KKGF COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 238808815 CBAUNERZXFKXOR-ZWOVKWTPSA-N 683.882 6.083 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@H](Cl)C[C@@]2(C)[C@]1(OC(=O)c1cccs1)C(=O)CO 253633973 PIWPKWRRHRILPF-CHLDEUEOSA-N 537.505 5.338 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)O1 587331903 KLPUSSUGCRTSOV-NHVLUEBISA-N 683.188 6.963 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c3ccccc3C1=N2 587427812 GFGGCLUCEHEPEX-JPZYQRIQSA-N 503.558 5.489 50 1 KKGF CCOC(=O)/C(=C(\C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686328 CQUKNFAZPJFSQY-GABQMZRLSA-N 525.846 5.514 50 1 KKGF COc1ccc(-c2cc3n(n2)C(N)=C(C#N)[C@](c2cc(C(C)C)c(N)c(C(C)C)c2)(C(F)(F)F)N3)cc1 621477728 JGZOEBGJSIEEBG-AREMUKBSSA-N 510.564 5.922 50 1 KKGF Cc1cc(C)c(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccc(OCc3ccccc3)cc2)c(C)c1 653791867 GKUDUQUGJFQFMU-UHFFFAOYSA-N 516.619 6.408 50 1 KKGF COc1ccc([C@@H]2N(C(=O)CCl)N[C@@H](c3c[nH]c4ccccc34)[C@@]23c2ccncc2C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962405451 QFTLMIRQIXGIBF-GIYYTIJTSA-N 754.243 7.095 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)c1ccccc1C[C@]1(C2CCC2)C(=O)NC(=O)N13 962661153 HPWBKZVQAJCERS-OJJCTYPWSA-N 731.978 8.352 50 1 KKGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23c2ccsc2CCN3Cc2ccco2)[C@H]1c1cccc(C(F)(F)F)c1 962704429 GXJQZWLVDWWNKH-HOFKKMOUSA-N 553.562 5.239 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CCCCCCl)(c2cccnc2Cl)N1 962915717 AYGDGZQJOWAQHZ-JYFHCDHNSA-N 501.410 5.875 50 1 KKGF CCN(c1ccc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1)S(C)(=O)=O 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CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2CC[C@H](O)[C@@]3(CCCC[C@H]3CC#C4)SSCCC[C@@H]2O)cc(Cc2cccc(O)c2)c1O 2356321637 GRDNJQVVFANXMA-SLODAHGLSA-N 772.982 8.181 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC1)CC[C@H](O)CC(=O)CC2 2356353248 KLZHYVAKSSLKLX-REOZPWJQSA-N 817.087 5.228 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@@]4([C@@]21O)[C@@]36C 2356353500 PTVIWOACYRHCGM-APVALWDTSA-N 621.909 6.771 50 1 KKGF C=C1C[C@@]23C[C@@]1(O[Si](C)(C)C)CC[C@@H]2[C@@]12OC(=O)[C@@](C)(CC[C@@H]1O[Si](C)(C)C)[C@H]2[C@@H]3C(=O)OC 2356375453 CZJKUGIUTGPWAY-SXDNMLFKSA-N 506.788 5.058 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356433400 IPZJQKCNVUEXBR-MBLFWACJSA-N 785.123 6.832 50 1 KKGF CC(C)=CC[C@H](CCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=C[C@@H]([C@@H]1CC(C)(C)OO1)C(C)(C)O)C(C)(C)O 2356514734 LTZKXZZQHUUMDI-CBOGJUHYSA-N 739.138 13.411 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NC1CCCCC1)c1ccc(NC[C@@H](C)O)c(CO)c1)CC(=O)CC2 2356519702 MOQQOAHWYLYLLP-WPQYHHSTSA-N 805.072 8.146 50 1 KKGF CC(C)=CCC[C@@]1(C)[C@H]2CC[C@@](O)([C@@H]3Cc4cc(C(=O)O)ccc4O3)C[C@@]2(C)CC[C@H]1Br 2356520597 RZJNPKNBRGXJBV-DMXRFULNSA-N 505.493 6.536 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)c(O)c(OC)c1O 2356573502 PNBOSJWNLLRRDV-BNFQMQMWSA-N 652.831 7.448 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2)N1 2356753004 MNIJDGDIIYGAKD-JTTMTFCZSA-N 743.005 6.025 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC 2356756316 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C#CC#COO[C@H]1[C@@H](C)C[C@]2(C(=O)OC)C(=O)/C(C)=C/[C@@H]3[C@H](C[C@H](OCc4ccccc4)C(=C)[C@H](OOCC)[C@@H]12)C3(C)C 103541359 ZZLOONXXVOECAY-LSOTVKRVSA-N 590.713 5.382 50 1 KKGF biogenic,in-vitro Cc1c(C(/C=C/N(C)C)=C(C#N)C#N)sc2sc(C(/C=C/N(C)C)=C(C#N)C#N)c(-c3ccccc3)c12 299830941 ZBZJYAVKMRHLAQ-PHEQNACWSA-N 520.687 6.690 50 1 KKGF N[C@@H](Cc1cc(Br)c(O)c(Br)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586978405 QZTJCQHUTTUXCV-NSHDSACASA-N 616.042 7.456 50 1 KKGF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587051710 UHATWOKOGATDJB-UHFFFAOYSA-N 518.733 7.898 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 587737876 HYCDJDLODKQLMX-ACWCSWBYSA-N 670.445 7.627 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962475569 OPUOOFRURDAQMD-BZNBAONSSA-N 639.001 6.464 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@H]3c3ccccc3OCCBr)c(O)c2C(=O)O1 962934894 KRJSPCMEVUWYGP-FTPHCPBZSA-N 614.876 5.162 50 1 KKGF Cc1[nH]c2ccccc2c1[C@]1(C(=O)Cl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962939883 ZSPKIUYYNJEOLJ-WUUZEJJNSA-N 607.446 5.097 50 1 KKGF Cc1cc([C@@]2([C@@H](C)Cl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)cc1 963037760 LEVWHOHVQKYSNG-CQDOIMFCSA-N 701.597 9.157 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CCCl)(c2ccc(F)cc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963091246 UPNPAMJCCNDHCF-GIWKVKTRSA-N 576.111 8.002 50 1 KKGF Cc1cc2c(cc1O)[C@](C)([C@@]1(O)[C@H](Br)C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]31C)N[C@H](C(=O)O)C2 963527986 ROGQCCIMTWSOJR-DETADIKVSA-N 586.567 5.151 50 1 KKGF Cc1cccc2c1[C@](CCl)(c1c(-c3cccc(Cl)c3)[nH]c3ccccc13)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841167 IQDVXFGAOOFXIQ-JIYROHSKSA-N 579.524 7.916 50 1 KKGF O=C(N/N=C/c1ccc(O)c(Br)c1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 1772615474 DZZCMIIGSZDKEB-GZMJVKMKSA-N 615.847 5.957 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c4c2OC[C@H](CO)CCc2cc5[nH]ccc5cc2[C@H]2CC(=C4C(C=O)=C(C(=O)OCC)O3)C[C@H](CO)C2=O)O1 2356382805 OKWIZRAXJQELQU-HVHOJCNKSA-N 771.904 5.536 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC[C@@H]4CCc4ccccc4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@@H]2O 2356418289 FEVYXIZBDPZHOA-ABKPVYSASA-N 952.242 6.266 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)C4)[C@H](CCC(=O)OCC=C(C)C[C@H](C)C[C@H](C)CCC[C@@H](C)CCCCC)[C@H]3C 2356469644 VLMUKTSQARJLRE-UQEMNKITSA-N 827.167 13.429 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@@H](O)SSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356485917 YDIDXBMHTPRVGZ-WNMUMRONSA-N 714.994 9.175 50 1 KKGF C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(C(=O)OC)C[C@H](C)[C@H](OOCc4ccccc4)[C@H]3[C@H]1OOCC)C2(C)C 2356673954 SDTJJXRTWBQJRR-LJNRGNBMSA-N 526.670 5.793 50 1 KKGF CCCCCC[C@](C)(O)[C@H]1Cc2c(c(CO)c3c(c2OC)C(=C2CCC(=O)[C@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356715385 JBYLOGVSQFDBEV-SZLRXTTBSA-N 671.787 6.393 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356852324 QPIZVYVYWMADDJ-YJICWRDESA-N 907.301 8.230 50 1 KKGF CCCC(=O)Nc1cc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(OCc2ccccc2)c2[nH]cc(C)c32)n(C)c1 1653503 XVTRMGSERVBUFQ-VDZCTEQFSA-N 545.083 6.515 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3C(=O)O)c3ccccc3n2C)c(C(=O)Nc2ccccc2C(=O)O)c2ccccc21 27728074 GPQUWHBSXHDEEV-UHFFFAOYSA-N 650.738 7.370 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccc(OC)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802484 UCTVZOCQGGLXKA-VNRABVQOSA-N 520.529 5.330 50 1 KKGF c1ccc2c(c1)OC[C@H](CNCCCCCCNCCSSCCNCCCCCCNC[C@@H]1COc3ccccc3O1)O2 43409371 AOVGGARUNFMLQB-RNPORBBMSA-N 646.964 5.527 50 1 KKGF CCCCCCCOc1c(C(=O)N/N=C2/C(=O)Nc3ccccc32)sc(C(=O)N/N=C2/C(=O)Nc3ccccc32)c1OCCCCCCC 49694570 GROUWLYBUCBDFW-UHFFFAOYSA-N 686.835 6.619 50 1 KKGF C[C@H](CCC(=O)N/N=C/c1ccccc1Br)[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 52956397 YBCSGVBSHKFABO-RSAFYJGOSA-N 589.615 5.277 50 1 KKGF NCCCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)CCCC(=O)Nc3ccc4oc(C(=O)N5C[C@H](CCl)c6ccc(O)cc65)cc4c3)c[nH]2)c[nH]1 95540123 BDRCHINCBOXGEA-QFIPXVFZSA-N 743.221 5.246 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O 95543302 WUXSSALNWBMRKU-AULPRSQPSA-N 759.244 5.332 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@@H](NC[C@H](O)C4CCCCC4)[C@H](C4CCC(CCCO)CC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344061 HNQOLFDELNWOLC-VELKTMCNSA-N 1007.370 10.178 50 1 KKGF biogenic,in-vitro Cc1ccc(S(=O)(=O)N2C[C@@H](CCCCO[Si](C)(C)C(C)(C)C)N(C(c3ccccc3)c3ccccc3)C[C@H]2C)cc1 170186828 PQGSCTPCRFEKHE-QLWXXVCSSA-N 606.949 8.040 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4ccc(OCc5ccc(Cl)cc5Cl)cc4O)sc3c2)CC1 299822537 AIDMZANNLSGTSH-VWJSQJICSA-N 598.556 7.275 50 1 KKGF O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 586997588 UXJSRKPYQXXIRK-FQEVSTJZSA-N 757.417 10.438 50 1 KKGF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 587025551 HMCNATXBEAGDDX-KKXDTOCCSA-N 570.447 8.119 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3cc21 587189783 FJJFBEUBXMAEIR-DHWUHZCUSA-N 926.212 10.855 50 1 KKGF COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c(OC)c1 587222117 YALCJDLZZQHYLA-DIPNUNPCSA-N 737.747 10.445 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(I)c2)[C@H]1c1ccc(F)cc1 587339516 SAKBTRHREGGYSR-UNMCSNQZSA-N 553.165 5.785 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)O2 587370307 AFUJQAWAMBKQAG-MHZLTWQESA-N 519.395 5.666 50 1 KKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587498013 LUFLJLLHIFIQBM-GDLZYMKVSA-N 531.012 5.116 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587538741 RLVOPXDCHCJLOZ-UHSQPCAPSA-N 608.282 6.889 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1 587672269 YYBKYBBNWIDISY-SHAMJUJCSA-N 675.028 7.537 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)[C@@H](C)Cl)cc12 587686316 CKBHCOHZAMYOFZ-DDDOEAIBSA-N 562.266 6.178 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(Cl)c1 587713384 CBXXMXWAYVYIMN-MYODQAERSA-N 514.241 6.805 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 587839046 FXSBRCMLUPNKEI-ORAYPTAESA-N 593.371 5.647 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(c3ccccc3C2=O)c2ccsc2CCN1Cc1cccn1C 962370740 GTGVHDGTXWMICY-CQGGRAHPSA-N 550.511 6.200 50 1 KKGF Cc1cc([C@@]2(CBr)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)no1 962477007 SEURATDSIQHWIN-GIGWZHCTSA-N 574.431 5.277 50 1 KKGF C[C@]1([C@@H](Cl)C(=O)Nc2ccccc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962568279 FEPRWCUFPGXGBZ-ZLWRCJDJSA-N 582.056 5.803 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@]1(C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963474527 VRHZVWODKYHMKR-YTAIPNNWSA-N 701.955 6.189 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCC4CCC(CC4)[C@@H](CC1)[C@@H](O)C2)CC3=O 2356298526 JJMUCYRTZKBBSW-GGDMIDKOSA-N 981.383 9.678 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@@H](SSCCC[C@@H]3O)[C@H]4O)CC[C@@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356299834 HQCMZMKTBYFERE-SDJGFRGBSA-N 992.316 10.940 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C)CSSCNc3cc(ccn3)C2)CCCC1 2356448489 FLURTCNJMRRJII-CQUVXLKTSA-N 656.914 8.686 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356541813 NZIXMPPZCUGLMJ-HMJKQVICSA-N 908.196 9.030 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356772989 NRFWZMACYSPEQA-NEIRDGTFSA-N 994.367 6.870 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@@]1(C)[C@H](Cc2cc(I)cc(Br)c2O)C(=CI)CC[C@H]1Br 2356798957 TUNPYABDHNSBNC-CMOHQRLCSA-N 980.965 11.099 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=C4CN(C=C4N=C1)[C@@H](O3)[C@@H](C#C[C@H]5O)C1(C#CO2)CCCC1 2356813557 CHZWNXVJSBOCSO-HIWWFMPGSA-N 805.079 7.125 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](CN2C=CNC2)(SSC1)[C@H](Cc1ccccc1)CN3 2356815318 CPWRNIVRNQVOND-KGNBQZSWSA-N 684.928 6.943 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)C2)CCCC1 2356874682 YYCRSMFCPXCHJB-SLERHNEASA-N 705.987 6.894 50 1 KKGF CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145584 JGJOEMKAPJEZCG-PWUDJSAJSA-N 505.703 5.196 50 1 KKGF CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@@H](Cl)N1)CCC/C3=C/c1ccc(Cl)cc1 40918645 XDBWTXLQRQHLPJ-NPSSKHJUSA-N 500.882 8.123 50 1 KKGF CCCCCCCC[C@H](Br)[C@H](Br)CCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C 43022033 RUUABZPZVNLUHZ-XZOQPEGZSA-O 594.430 7.835 50 1 KKGF CC1(C)CC2=NC(SSC3=C(C#N)[C@@H](c4ccc(F)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@@H](c3ccc(F)cc3)C2=C(O)C1 49734134 BPNOEXMBIDXKFT-LOYHVIPDSA-N 654.808 9.857 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CCC(C)CC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)Nc3ccccc3)[C@@]12C 49794032 ICOPESWFIGAVHH-KQQWKZCHSA-N 651.885 8.755 50 1 KKGF COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)n2)cc1OC 49808322 YMWOPQJRHAGOAC-MBTHVWNTSA-N 532.944 5.545 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C(=O)O)CCC[C@H]1N(CCCl)CCCl 64564510 KXXGLDCEEHIZPB-BFLUCZKCSA-N 522.598 7.412 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc2c1CC#C[C@@H]1SSCC[C@@H](C)CC[C@@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 85567695 HFFJRTINSKCJKG-OZSIVKGESA-N 774.998 7.737 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@H]34 85594578 JDSAMBQAJFSNIF-SZHHWHALSA-N 714.910 5.341 50 1 KKGF biogenic,in-vitro O=C(CBr)Nc1cccc(Cn2c3c(c4ccccc42)C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@]2(CCN4CC2CC2)[C@H]3O6)c1 150565210 HDUSMYFDADSZOJ-JQGOHGDASA-N 640.578 5.428 50 1 KKGF C=CCO/N=C(\C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]42OO3 169615351 WGDOECSYODBCCA-RSPZRQDWSA-N 631.807 6.436 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COP(=O)(Oc1ccccc1)Oc1ccccc1 170069568 JNQKIRIFEQQRFM-VDKIKQQVSA-N 574.643 5.497 50 1 KKGF O=C(NNC(=S)Nc1ccc(OC(F)(F)F)cc1)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828229 UBMHRAQFVQWZBW-UHFFFAOYSA-N 540.611 6.233 50 1 KKGF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587141346 PVHRKOKXQYUUJT-INIZCTEOSA-N 600.832 7.841 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322119 LLBXOIZKCMEJKZ-RZCMGBKKSA-N 593.533 7.534 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587537575 IDCJGSUWBAOFIK-DENIHFKCSA-N 520.173 5.415 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 587673201 LJIYDZOVDSHDFE-BSEYFRJRSA-N 566.696 6.401 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 587674428 WPDVJVDKLWBUAU-SCUKEFNGSA-N 524.110 5.914 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)(C)C)cc1 587689870 XMJHYEACXHQISA-CHAGWJKLSA-N 517.914 7.310 50 1 KKGF CC1(C)CC2=C([C@@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)[C@@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961616080 QRWVOPOMPGFOPD-FIPFOOKPSA-N 536.901 6.558 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CCl)c1ccc2c(c1CCN5C(=O)OC(C)(C)C)NCCC2 961776262 LIASJVQWRWMVQH-YXIKGCMZSA-N 669.278 6.620 50 1 KKGF COc1ccc2c(c1)[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)N(C(C)C)CC2 962045279 PDNHUKBRLBHOEW-PIIWDFAUSA-N 503.033 6.842 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]12C=C1[C@@](C)(CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]13C)[C@]1(C)CC[C@@]3(C(=O)O)CCC(C)(C)C[C@@H]3[C@@H]21 962046668 SNYLWRBLPMQEHD-RNMRKQANSA-N 843.078 7.309 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc3c(c1)NC(=O)CO3)([C@@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672175 AWHIDASQZJJPGA-HJWYETAXSA-N 574.983 5.623 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cccc(Cl)c1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962681906 XJLJKBZNGWBFTP-VWLOTQADSA-N 586.807 6.852 50 1 KKGF O=CC1=COc2ccccc2[C@@]12c1c(ccc(F)c1F)C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963045261 YICUKFHWLFMRQF-XQJOSWFISA-N 579.555 5.944 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C(=O)O)Cc1ccc(O)c(C)c15 963524204 JSBFBFKNTIBPTR-AMTBTDDTSA-N 656.191 5.641 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@@H]2c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)c1 963550080 KGTKOWCWBUOMOJ-HHHXNRCGSA-N 748.636 6.882 50 1 KKGF O=C(N/N=C/c1ccc(F)cc1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 1772625451 QTHMVXGVHAJAPB-INCRYZERSA-N 538.942 5.628 50 1 KKGF CCOc1ccccc1-n1nncc1CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c2nc4ccccc4nc2c2ccccc32)c2ccccc21 1772628989 UOIPWVMYJUCOOH-LHEWISCISA-N 642.679 5.835 50 1 KKGF COc1cc(NC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(F)cc1 1857639850 JUQZQQRAWAWFES-UHFFFAOYSA-N 574.649 6.937 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)CCCCC1)CC[C@@H](O)CC(=O)CC2 2356354060 VKMUGRQEYBRBOD-ZCOTYORRSA-N 831.114 5.618 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356364938 BUXXJUOCOXGZNO-VXWWLSMESA-N 717.004 5.251 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(C)O)C1(CC=C(C)C)CCCC1 2356369716 YWMBPTVJKPWBEE-SMMXQTIDSA-N 564.807 6.162 50 1 KKGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@@H](Cl)CC2=C(Br)C[C@@H](Br)[C@H]1O2 2356617277 WWWLGURLJAZMJB-OBRJSVEZSA-N 503.456 5.550 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@]3(CC1=O)[C@H](C=C[C@@H]3c1ccccc1)CNC(=N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2 2356644894 WUPIXQMGSJIJLA-GNMWWACSSA-N 724.990 6.122 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356716056 ANJXDKKSXVEUDY-LHLVRUMJSA-N 819.140 6.885 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](O)C3CCCCC3)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356871830 YLONWOHQZSVYDR-HMUCFCOSSA-N 951.309 9.165 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl 82186882 NMCVKFSTCRQUOH-URLMMPGGSA-N 652.581 7.761 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/C=C/c1ccccc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 102960223 MWKFVBNQTQDCFH-YQWVUQKASA-N 531.468 7.136 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 118927226 JJQGOUALJFARBW-ZULDAHANSA-N 539.883 6.116 50 1 KKGF C[C@H](CCc1ccccc1)CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2 150349157 IIYKDOSLRORNRY-MHWLDNDESA-N 923.234 9.821 50 1 KKGF biogenic,in-vitro O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/OCc1ccccc1)/C(Cc1c[nH]c2ccc(Br)cc12)=N/OCc1ccccc1 150596787 JEVKNKWOYGRRHZ-NGDKDHJKSA-N 890.724 8.719 50 1 KKGF C[C@@H]1[C@H](CC(C[C@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 169615579 CRSJHIRCVZDTHB-AVGINAQZSA-N 832.066 7.556 50 1 KKGF C/C(=C(\CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1)SSCc1ccccc1)N(C=O)CC(=O)OC[C@H](OC(=O)[C@@H](C)c1ccc(CC(C)C)cc1)[C@H]1OC(=O)C(O)=C1O 221742712 DRBSSRQDAHYRIF-ZNUHJUKNSA-N 876.103 8.904 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc12 586937866 VBKPCIVUZRADSG-GOSISDBHSA-N 563.574 5.335 50 1 KKGF O=C(N[C@@H](Cc1ccc(Br)cc1)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 586995694 HANFVZDJXKZIHG-NRFANRHFSA-N 678.521 9.675 50 1 KKGF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c12 587169203 XCSHQFINRRSDEN-UHFFFAOYSA-N 616.429 9.524 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587332652 SXUFTOOHNRHBHS-RBBKRZOGSA-N 529.711 6.853 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1OC 587536286 UAEBVBNIDSFNGU-DCFHFQCYSA-N 509.027 5.956 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542055 FJOVCQIAJUXFOL-ABYGYWHVSA-N 511.917 5.019 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 587605013 AREKDOATRSICFU-SQHAQQRYSA-N 572.477 5.209 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587736555 AYFUPCIIWNNACX-BTQXKZQKSA-N 739.094 6.409 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CBr)cc1C(F)(F)F 587893080 SSINSUSMQVHEJU-UHFFFAOYSA-N 507.133 5.300 50 1 KKGF COc1ccc(Cl)cc1C#CCc1cc(OCC[C@H](C)CCCC(C)C)c(CBr)cc1OCC[C@H](C)CCCC(C)C 587899106 ZORDQXUUUSUAFK-LOYHVIPDSA-N 662.193 11.300 50 1 KKGF CC(C)CCCCCCCCCCCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587957817 WGEDCMBVGVNOGA-UHFFFAOYSA-N 524.728 11.660 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](C)(c2ccc(OC)c(CCl)c2)N1 963163829 RXBOYPBSUMXOIQ-WNOXWKSXSA-N 618.177 6.978 50 1 KKGF Cc1ccc([C@]2(CCCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963193349 JQCWFYFXOARAEY-GMCHKSTQSA-N 542.031 6.721 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2[C@]2(CCC3)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963216140 ORGNLWJJIDJOKZ-AUROEMJLSA-N 821.799 8.119 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C)([C@@H](Cl)c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368762 UFCCCZHHWGLWKO-ODTVBPJYSA-N 586.059 7.075 50 1 KKGF CN(C)c1ccc([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1 963441192 AXZAEIODVZEWJA-CUBQBAPOSA-N 532.438 5.024 50 1 KKGF CCOC(=O)C(C)(C)[C@@]1(CBr)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963918619 ZTTRQURDCDFUCH-XMMPIXPASA-N 550.885 5.008 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857580033 HWVOXWGVYDQASL-MRXNPFEDSA-N 571.480 7.165 50 1 KKGF CCC[C@@H]1C[C@H](Cc2cn([C@H](c3nc(C(=O)OC)co3)[C@H](C)CC)nn2)C[C@H](O[Si](C)(C)C(C)(C)C)C1 1857611720 UWYHPPTWJXOTGU-IMMNJVOHSA-N 532.802 6.838 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H]1NCCC[C@@H]1SSC2 2356291738 CVVMCWXOZAPTBD-RLGIHXCWSA-N 934.236 11.061 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@]5(C)CC[C@@H]6C(C)(C)[C@H](O)CC[C@]6(C)[C@@H]5C[C@H](Br)[C@@]4(OC2=O)[C@H]3C1 2356575082 AKRMZTJSFJYCJR-GWTJYSBVSA-N 535.607 7.282 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Br)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356673816 VQGNJNAIEBZJEK-JSRBVGTNSA-N 539.894 6.547 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@]1(C)CC=C1[C@@]23C=C[C@]2(OO3)C(C)(C)[C@@H](OC(=O)CO)CC[C@]12C)C(C)C 2356722615 LMEMBPKCZMYYLN-FVXXKWENSA-N 572.739 5.143 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356778409 UKTXJMJUZMZBJU-OUMNKQAASA-N 815.067 8.525 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@]4(C#C[C@@H]3C=C12)C[C@@H](c1ccccc1)CC[C@H]4CO 2356841917 MJJLMSNBCORCOK-RIFDMQKSSA-N 950.321 7.871 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)O[C@H](C(N)=O)C(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@H]2C2=CCN=C2)c2ccccc21 2356844272 NTDHAHQMXPDKAH-SXQXJISWSA-N 968.184 5.632 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](CN1C=CNC1)c1cc2cnc1N 2356862538 VBWQLHSZEYHVCH-BMBOGREESA-N 592.787 5.566 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4N=C=S)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 28763952 JCQWJWBJYMMVMR-XZLGBSMGSA-N 561.707 5.829 50 1 KKGF COc1ccccc1CNCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCNCc1ccccc1OC 29549499 BQGXBEAAIGHWKK-UHFFFAOYSA-N 731.214 10.166 50 1 KKGF CN(C)C(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145612 YPQNGKZSKASBRT-GQTDWIADSA-N 518.742 6.294 50 1 KKGF CN(CCCCCl)[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)[P@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl 72118963 ROKARLAVHOSXAJ-MJPWBCPGSA-N 722.327 8.613 50 1 KKGF BrCCCOc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br 84669187 USHFQWKAHNBGGG-UHFFFAOYSA-N 622.771 7.693 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@@H]5Cc6c(c(OC)cc(c6[C@@H]4[C@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O 85567808 JNYWHADAMPJTLY-HGMGWYCKSA-N 636.832 7.527 50 1 KKGF biogenic,in-vitro CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl 95550818 DEQTWOWKTWQYEE-DHIUTWEWSA-N 749.692 8.308 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H]5CC[C@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]21C 136695367 XRRHDGKBIMJRKD-BTDYGODJSA-N 546.384 6.503 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(C4(NC)CCCCC4)c2)[C@@H](O)C[C@H]1CSSC3 150349721 VSEGGLNDDNSTPF-JJJDEDIHSA-N 1038.410 11.727 50 1 KKGF biogenic,in-vitro O=C(N[C@@H](CCCCCSSCCO)C(=O)Nc1cccc2cccnc12)OCc1ccccc1 261148954 OMEMORTXMDILLA-QHCPKHFHSA-N 513.685 5.402 50 1 KKGF COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)C)c3oc2=O)cc1OC 299822731 DESHXEYHDREHMH-AREMUKBSSA-N 512.562 5.415 50 1 KKGF Cc1ccccc1CSc1nnc(NC(=O)/C(C#N)=C/c2cn(Cc3ccccc3)c3ccccc23)s1 299836993 OYHRBTNCJPYSEW-HZHRSRAPSA-N 521.671 6.688 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccc(Cl)c(Cl)c4)c4ccccc34)sc2c1 299859146 HQUSUHWLHGLKBS-VWJSQJICSA-N 579.557 7.604 50 1 KKGF CN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)S(=O)(=O)c1ccc(C#N)cc1 586929662 XPBJUXNAYTUIGU-UHFFFAOYSA-N 531.326 5.675 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C=C/CBr)[nH]c21 586973732 NJCXCLRDSIGRJA-MDZDMXLPSA-N 601.545 7.231 50 1 KKGF O=c1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587171500 NHGMFPNZSUHQJG-UHFFFAOYSA-N 542.274 7.578 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4nc5ccccc5nc4cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189281 AWVPXBCBMLUJGZ-LVZYILEXSA-N 663.863 7.691 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 587324372 YDAQOWRXUVOPIT-YZNIXAGQSA-N 572.386 5.981 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587324689 STOUHMQPSZJXQA-BTIIJPOSSA-N 531.967 6.040 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)N[C@H](C)Cc2ccc(F)c(Br)c21 587736572 AYFUPCIIWNNACX-QQKYUNINSA-N 739.094 6.409 50 1 KKGF Cc1c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)sc2ccc(Cl)cc12 587851204 BHCZADSKZKQRIM-FVINQWEUSA-N 517.689 6.937 50 1 KKGF COc1ccc2c(c1)[C@](c1c[nH]c3ccccc13)([C@@H](Cl)c1ccccc1)N(Cc1ccc(F)cc1)CC2 963300327 DBJOALAFXLMILD-ACHIHNKUSA-N 511.040 7.598 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cccc([N+](=O)[O-])c2F)N1C(=O)c1ccccc1 963413299 GBWLLOFAXSNFJU-HFZDXXHNSA-N 552.356 5.005 50 1 KKGF CC(C)(CCl)C(=O)Nc1ccc([C@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963832338 OIAJUZUPVWXBEV-PMERELPUSA-N 502.058 6.360 50 1 KKGF CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)CCCC[C@H]1CCSS1 1857597396 JHALKKQEOZXQLC-VWLOTQADSA-N 651.229 8.695 50 1 KKGF COc1ccc(COCC[C@H](C)O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 1857624259 KEMFXFONLNFIMG-MRNAESIQSA-N 819.990 7.761 50 1 KKGF C/C(=C\CC/C(C)=C/CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O)CC/C=C(\C)C(=O)OCCCBr 1857749282 KEEMSJPVODBJTF-XSQPKZKTSA-N 593.687 8.667 50 1 KKGF COc1c(O)c(OCCC(C)C)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 2356365984 XPFDXDVSOSRJAQ-FJLZSCBBSA-N 762.987 7.450 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](OCNCCc1ccccc1)CC(=O)CC2 2356668646 XFYFCCDWVGORMJ-IHLOFXLRSA-N 647.859 7.030 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@@H]2O)c1ccc(NC[C@@H](C)O)c(CO)c1 2356668926 HDMUASCQPLURIQ-VCURXLHASA-N 762.991 6.831 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@@H](C)[C@H](O)c2cc(O)c1c(O)c2 2356714901 ADIDLTWFZOYUMC-LSLLIFENSA-N 603.284 9.958 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H]1CC=C[C@@H](C1)SSC[C@@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 2356768146 MAJCRYUUKDOHHU-JERCNHOHSA-N 706.923 8.640 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@@H](C2(n3ccnc3)CCCC2)SSC1 2356837802 LNDRVMBNKUXLKJ-JVDKCZHXSA-N 648.895 6.624 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(COO)=CC[C@]4(C)CC[C@@]23C)C1(C)C 2356858716 SOXWWZWVGOHVRN-UQABISOQSA-N 500.764 8.065 50 1 KKGF CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@@]23C=C[C@]2(C[C@H](O[C@H]4OC[C@@H](O)[C@H](O)[C@@H]4O)CC[C@]12C)OO3)C(C)C 263591270 SKTNUBYPBAJOEK-AENKZKJGSA-N 574.799 5.327 50 3 KKGF O=C(CSCC(=O)N/N=C\c1ccc(-c2ccccc2)cc1)N/N=C\c1ccc(-c2ccccc2)cc1 38807593 WYBKVSMSWJMAFI-CDSIFPFTSA-N 506.631 5.354 50 1 KKGF CCCCc1ccc(SCC2=NC(C)=C(C#N)[C@H](c3ccccc3C(F)(F)F)/C2=C(\O)OCC)c(C)c1 40447708 YTOQDJIATCCPKZ-GWVAFBSZSA-N 528.640 8.291 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 44431468 OXOZGERGLBAMFP-WXVAWEFUSA-N 585.034 5.071 50 1 KKGF COc1cc(N2C(N)=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 49694593 GUWVQRYVHJQGFE-HSZRJFAPSA-N 528.436 5.960 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@@H](OC)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O 73369177 IEYIWXBJAVNHQT-WQHJJIHZSA-N 594.190 5.185 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4F)cc3F)ccnc2cc1OCCCN1CCCCC1 96283546 AMLVOLIPPLVMPI-QLQYKETESA-N 589.643 6.724 50 1 KKGF O=C(CCCCBr)O/N=C1\c2ccccc2-c2c1c(N1CCN(c3ccccn3)CC1)nc1ccc(Br)cc21 150556075 JHANQLDSOVBLNV-OZMGXUMRSA-N 649.387 6.560 50 1 KKGF CCCC[C@]1(C[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372818 ZYVYKCLKFGRXRO-ILEFABACSA-N 604.737 5.714 50 1 KKGF C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)[C@]34CC[C@@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C 255259840 PSECKJIFRYHDDK-WEBPQRFCSA-N 516.719 5.824 50 1 KKGF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587163334 ORBBQVNZQVWPKE-UHFFFAOYSA-N 521.280 8.020 50 1 KKGF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3c2)cc1 587191709 VYRFIVFMTXGAGQ-LLYZYBLHSA-N 711.900 8.174 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 587683944 ILRTVTQYHFDUFP-XELLLNAOSA-N 548.239 5.789 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 587684065 KDWCSJLQPGJABG-PTFIGZPYSA-N 533.268 6.598 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 587689496 TWDWJBXHZZHFKN-QMTYFTJSSA-N 503.887 7.136 50 1 KKGF CCOC(=O)/C(=C(\C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587690101 ZBRFFXQHIHPIGM-VSABLPABSA-N 525.846 5.514 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](Cc2ccc(F)cc2)NC(=O)OCc2ccccc2)N1 587731507 GXKNPLDEVSBOKY-ISCRSJHHSA-N 563.870 6.233 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587737542 FYOAJBYDPMOEQR-SCFIQHCQSA-N 739.094 6.409 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2/NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 587853679 AVBZDEPJUVDINA-NCLOIAKPSA-N 548.953 6.686 50 1 KKGF COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)O[C@H]2CCC[C@]4(C2)OCC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 621476365 HPLFYRRXWYSKLS-DKWCIHOLSA-N 697.272 8.660 50 1 KKGF COc1ccc(-n2c(C)cc([C@]3(CCl)c4[nH]c5ccccc5c4C[C@@H]([C@@H](O)CC(=O)O)N3C(=O)OC(C)(C)C)c2C)cc1Cl 963064392 KQYJZMKSJAYKKB-ZTMGNVKNSA-N 642.580 6.717 50 1 KKGF O=C(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc(-c2ccc(C(=O)C(Cl)Cl)cc2)cc1[N+](=O)[O-] 1857537334 FGXLKZLVUBQDAY-UHFFFAOYSA-N 643.483 7.538 50 1 KKGF CCCCCCCCCCCC1=C(OC)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1857649100 DDXLCUPXJUKDNC-JOCHJYFZSA-N 507.587 5.630 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccc(Cl)cc2)nn1 1857744599 MBHJEXSLTCYVBY-XQOQDJPVSA-N 552.115 6.562 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356299759 GRLWGNKNNLPNNN-ZGUFVVCVSA-N 983.399 10.247 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356301860 ZCJTYOZRTOZWOO-CYNJPZLPSA-N 985.415 10.121 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC)c1O 2356353795 SSHFTLHZEMDSCW-UCHIEHLFSA-N 640.820 6.572 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@@H]5CSSCO4)[C@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356370372 PCGLNVYRXAGQKG-SBSQSUJDSA-N 742.909 5.362 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCC4)C3)c2O)C12CCCC2 2356464041 VAOADXUHWLTMNU-LMHMOHJKSA-N 921.324 10.414 50 1 KKGF CO[C@@H]1O[C@H](C=C(C)C=CC=C(C)CCC=C(C)C)C[C@]12[C@@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O 2356527396 GGFMZSOFGUQEMN-LUSCGSNMSA-N 500.720 6.378 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)[C@H]4C=C[C@@]6(CCC[C@@H]6C4)[C@@H]5CNC[C@@H](C)O)c3)cc1CO)C[C@@H]2N 2356681152 ILYIZDVKGVZGKN-SSLCMLALSA-N 947.366 8.207 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C[C@H]4SS[C@]5(CCCC6(CCCC6)C5)[C@@H](CC[C@H](C)CCC[C@H](O)[C@@]4(O1)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@@H]4[C@@]3(O)[C@H]1O)NCCO2 2356778561 XZGZGGPHDYXXHG-LVWVAFDFSA-N 940.231 6.276 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3C1CCC4CC1 2356824477 GVCAKQZHXXNKJC-OLRBHEIUSA-N 847.032 6.949 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356824624 GWOIVIGPYVEMQA-POXPNYCFSA-N 953.237 6.060 50 1 KKGF CC(C)CCc1cccc2c1CSSC[C@H]1C[C@@H](CC[C@@H]2CCc2ccccc2)CN2C[C@H]3[C@H](CC[C@@H]4[C@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]43C)[C@](C)(O)[C@@H]12 2356834212 KMFQARLVEHMHSY-KWWFGVCYSA-N 800.272 10.565 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356842131 MLCZGCIXXMITDD-ZRRYRBTKSA-N 740.044 8.788 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSSC[C@H]1O2)C5)CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356853019 QVQGKKVYYUSUES-DBWZVPECSA-N 902.148 7.802 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](c6cc[nH]c6)[C@H]([C@@H]6CC#CCC[C@H]7C=CC(=CC6)c6ccccc67)CNC[C@@]35O)[C@H]4O)ccc2c(=O)c1-c1ccc(O)cc1 2356861097 UFIRLCBCYHRLDC-LTYFPDMVSA-N 984.118 6.410 50 1 KKGF CSc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 5801049 MZEOSUJBQDYSCH-LEWJYISDSA-N 600.742 7.401 50 1 KKGF CCC[C@H](I)c1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3 40897367 XUCXRBSDWVSTLN-SFHVURJKSA-N 518.371 5.373 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 44431477 QMRLUDGWTOEVNV-YIXXDRMTSA-N 585.034 5.071 50 1 KKGF O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NNc1ccccc1OCc1ccccc1 58651019 ZGTFRFXBWYXDCW-LJAQVGFWSA-N 567.642 5.527 50 1 KKGF biogenic CCCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 95604941 DKLOAGISDQBUCQ-OZUMBJIGSA-N 531.734 5.504 50 1 KKGF COC(=O)C[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2)C(=O)OC 103231911 MBMFWBARIKMGKJ-BFNLEPNESA-N 634.814 5.427 50 1 KKGF C[C@H](O)CCC[C@H]1[C@H]2C=C[C@@]3(O)C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 150349125 ZFUGZCOBAUJNBR-NFOPZWBUSA-N 913.195 8.269 50 1 KKGF biogenic,in-vitro CSSCCC(=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)c2cccc(Cl)c2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C1C2(C)C 169346890 CCKCYMKTAOSVJQ-DDQWWYRKSA-N 954.554 5.459 50 1 KKGF CN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(C)C(=O)Cc2ccccc2CC(=O)N(C)Cc2c3ccccc3c(CN(C)Cc3ccccc3B(O)O)c3ccccc23)c2ccccc12 195210731 LOEGQRBKLOHFQI-UHFFFAOYSA-N 954.786 7.325 50 1 KKGF O=C(CCC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2)NNC(=O)CCC(=O)Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 253636536 RPKDUSNTVQLLLU-GZOSUITBSA-N 841.066 5.387 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@](O)(C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253695388 ZICISAPTXRLDEV-QUMAZFRGSA-N 790.969 6.171 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(OCC)cc1)C(=O)Nc1ccc(C)cc1-2 253883845 PNMOGABNWMYHGM-LJQANCHMSA-N 551.307 7.268 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299818535 SBWFAIGFKMBQFX-NFXYYRIUSA-N 798.421 5.306 50 1 KKGF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586947308 VXLKOBQBCRHRIU-LBPRGKRZSA-N 562.380 6.107 50 1 KKGF FC(F)(F)c1cccc(-n2c(SCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)nnc2-c2ccccc2Br)c1 587112126 IQSXCCABKTWMSC-UHFFFAOYSA-N 656.422 9.542 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(CBr)cc2)[C@H]1c1ccc(F)cc1 587319679 CNPVXVPWDQBJJN-JTHBVZDNSA-N 520.192 6.076 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322442 HAPYCXUCUVWXQR-NRFGLVKKSA-N 576.407 6.598 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325981 IZZDPCRBKGUPKC-QEMZJVQQSA-N 526.004 6.004 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670338 KEOUSRBDEXCJEF-YPCHGGDPSA-N 519.252 6.942 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 587672165 DHASJXARSCHYPU-VWLHBSKXSA-N 520.281 5.360 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 587683460 HEMGHUVGWKPTEU-YDBLSZJJSA-N 548.239 5.789 50 1 KKGF COc1ccc2c(c1)[C@@]1([C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O[C@@H]3OC(C)(C)O[C@@H]31)N(C(C)C)CC2 962089505 KFJVVNXSINOFFP-ZHYHXGNXSA-N 601.860 5.610 50 1 KKGF CCCc1ccc([C@@]2(CCC(=O)Cl)c3ccccc3CCN2C(=O)COc2cc(Cl)c(C=O)cc2OCC)cc1 962988388 NVQFUYPVGLJFSY-YTTGMZPUSA-N 582.524 6.757 50 1 KKGF COc1ccc([C@]2(CCCCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(OC)c1 963012040 IAFDRBRYPHNTFP-FYBSXPHGSA-N 567.469 6.253 50 1 KKGF CC(=O)Oc1ccccc1[C@@]1(CCCCCl)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963043043 TVLRWWYXKIWUTN-GOJCVTOHSA-N 660.113 7.803 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCOCCOCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC[C@H]1C 1857537121 RNNRYIJYCZKPNA-IIGKMFOJSA-N 945.082 11.930 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857602384 JICHINASRBPKMU-ATAHYPFJSA-N 697.747 8.252 50 1 KKGF CCOC(=O)c1c(CC)c2ccc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2oc1=O 1857631055 ALLRWWMYUXRBCS-GLSRQOMGSA-N 572.651 5.136 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356292279 MVXNDHSRIFXHJF-XZDDNYJSSA-N 875.215 7.764 50 1 KKGF CC(C)=CCCC(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(C)O)=C1CCCCC1 2356372054 WOJVNVSKJVYLBI-QGEDGWEGSA-N 578.834 6.697 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@H]2O)CCC=C(C)C 2356410981 GEZNSMOWMILNSK-PAISCNLLSA-N 555.800 5.094 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)C=C[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356464628 QIAVPOYGBUSCFA-FDVHHETJSA-N 873.058 9.571 50 1 KKGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@@H](Cl)CC2=C(Br)C[C@H](Br)[C@H]1O2 2356617276 WWWLGURLJAZMJB-MWDFWREMSA-N 503.456 5.550 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356729529 PIMDWNBQQILOOE-RYOPGUGHSA-N 861.221 7.973 50 1 KKGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCC=CCC=CCCCCC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356764642 YNJVOZLZBOSBDI-PQJFIKKBSA-N 640.858 7.605 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356774703 CLMBVWJIFSVUGQ-NJJJTJCCSA-N 964.349 6.502 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](CN2C=CNC2)(SSC1)[C@@H](Cc1ccccc1)CN3 2356815320 CPWRNIVRNQVOND-VTVPRIHOSA-N 684.928 6.943 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNC3=CC(=CCN3)C2)CCCC1 2356832058 JTDNTVMMGBUUSA-BVEYXTKCSA-N 658.930 7.987 50 1 KKGF COC(=O)c1cccc(NC(=O)c2c(SSc3c(C(=O)Nc4cccc(C(=O)OC)c4)c4ccccc4n3C)n(C)c3ccccc23)c1 27731815 WBFMGVCSGKMMGU-UHFFFAOYSA-N 678.792 7.547 50 1 KKGF O/C(Cc1ccccc1)=N\CCCCCCNCCSSCCNCCCCCC/N=C(/O)Cc1ccccc1 28219809 TTXPCAGJYJVKPZ-UHFFFAOYSA-N 586.912 7.066 50 1 KKGF O=C(CCCCCCC/C=C\CCCCCCCCI)N[C@H](CO)Cc1ccc(O)cc1 43523802 YMPPPZWSACORQG-QDODNJKOSA-N 557.557 6.864 50 1 KKGF CCCCc1ccc(S(=O)(=O)CC2=NC(C)=C(C#N)[C@H](c3ccccc3C(F)(F)F)/C2=C(\O)OCC)c(C)c1 43799608 GPDUZALRUJDCOP-GWVAFBSZSA-N 560.638 6.972 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(Br)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 96933845 NKCHEXNIBIRISY-HURDLCFYSA-N 549.509 6.854 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](C1)[C@H](CCc1ccccc1)c1ccc(N)nc1C#CCc1cc(O)c5c(c1[C@@H](O4)[C@H]3COC(C)=O)C=C[C@@H]1N[C@H]3CCC[C@H](CSSC[C@@H]1O5)C3)C2 150343194 XHOWHFAZOPOEKG-HNOCCDHASA-N 988.285 11.135 50 1 KKGF biogenic,in-vitro NC(N)c1cc2c3cc1CSSC[C@H]1C[C@]([C@H]4CC[C@@H]5CCC[C@]5(C[C@H](O)CO)C4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O 150349102 KLERTDVKPHISCL-OLHXWKGLSA-N 959.264 8.102 50 1 KKGF biogenic,in-vitro C[C@H]1[C@H](CC(C[C@H]2O[C@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@]24OO3 169615537 CRSJHIRCVZDTHB-ISZZHZDYSA-N 832.066 7.556 50 1 KKGF COC(=O)CC[C@@H](O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 194961255 SFXFJEZXIQVKPD-NGYBGGCHSA-N 539.463 5.668 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]3[C@@H]2O)C(C)(C)CCC1 195300295 VELGIFPPAIOHCC-AOGCRZNQSA-N 792.183 9.511 50 1 KKGF C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN([C@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1 195502883 HFLDKSMIEKKGPR-NZANFDHKSA-N 799.095 8.615 50 1 KKGF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 587049205 ISMVQYFQRLYLFY-UHFFFAOYSA-N 537.735 8.783 50 1 KKGF CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 587204796 LNPZUMGBDMHCDD-MCGQKYITSA-N 657.662 6.242 50 1 KKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320854 HHWQHBZJEKDOCK-GSLIJJQTSA-N 512.375 5.918 50 1 KKGF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccc(CBr)cc21 587323203 QAYOGCQFWBQFPB-UHSQPCAPSA-N 529.361 6.273 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587498171 FYJUOOAFQDCFLJ-ZFFPJSCZSA-N 537.538 7.175 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(C(F)(F)F)c1F 587543501 CHTLRJNNTLJKFG-UWJYYQICSA-N 515.228 5.941 50 1 KKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587614365 SADBZCQMPILDRX-LSYYVWMOSA-N 506.023 6.618 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2C(C(Br)Br)(C(Br)Br)N1 587669271 CLZDWLRGDBUSMD-RXMQYKEDSA-N 587.745 5.550 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 587671775 AQNKHHHDNXGRBY-CQLKUDPESA-N 585.935 5.868 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(F)cc1 587728343 AKXHVEMAIGSCKQ-SGANQWHYSA-N 507.850 6.405 50 1 KKGF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)[C@@H](Br)C(=O)c2cccc(Br)c2)c1 587898327 IRHZYPWBIHLNOM-JOCHJYFZSA-N 546.642 6.340 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3ccc(Oc4ccc(F)cc4)c(F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587944757 HRNGSIKQZSOEKY-GLSRQOMGSA-N 569.601 6.840 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CCCCCl)(c2ccc(Cl)c(Cl)c2)N1 962923513 DZGSWVMYRKLNGS-AZGAKELHSA-N 520.840 6.743 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCl)c1cc(C)c(C)cc1C 962982633 BJFBRYWHTKSYJO-PMERELPUSA-N 540.487 6.423 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)N(C(=O)c1ccccc1N)CC2 963134344 CBIMEDSDXYXTPW-UMSFTDKQSA-N 572.149 6.998 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3cc(-c4ccccc4)no3)nc(Cl)nc21 963913327 BJJCJVUBRAVCJC-MHZLTWQESA-N 579.886 6.122 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948322 SHDPDCINCUVJHB-ZRKKSSNASA-N 671.285 5.285 50 1 KKGF C#Cc1cccc(Nc2ncnc3ccc(OCCCCO[P@@](N)(=O)N(CCCl)CCCl)cc23)c1 1772578426 NWQZWJNXAGKRAC-PGUFJCEWSA-N 536.400 5.377 50 1 KKGF CC1(C)CCC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]23C)O1 1772625154 ZICSQKNMTZSZHM-ODIQUPAJSA-N 537.225 7.531 50 1 KKGF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)N/N=c2\scc(-c3ccc(F)cc3)n2-c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1772633168 HDCITJQKOMHRBM-JILUVEFHSA-N 644.685 5.179 50 1 KKGF COc1cc(N[C@@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccsc1 1857640396 VFQKFCZZPNDWTG-LFFFZKQUSA-N 633.855 8.091 50 1 KKGF COc1cc(NC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(Cl)cc1 1857643624 FUWLENPWJUVTIL-UHFFFAOYSA-N 591.104 7.451 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356299849 HWIKXIWVLZCKPQ-WRTFWJFVSA-N 939.302 8.500 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1c(Cl)c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c(CCCCC[C@H](Cl)CCCCCC)c(O)c1[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 2356323397 BRMPFHRPTFWBOB-LMQIPSCCSA-N 870.433 8.938 50 1 KKGF C#CC#COO[C@@H]1[C@H](C)C[C@]2(C(=O)OC)C(=O)C(C)=C[C@@H]3[C@H](C[C@H](OCc4ccccc4)C(=C)[C@H](OOCC)[C@@H]12)C3(C)C 2356426229 ZZLOONXXVOECAY-FGZSGVFFSA-N 590.713 5.382 50 1 KKGF CCCCCC[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356429152 LYICIZMRFSTGRK-XCMARPJTSA-N 507.810 5.674 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356433399 IPZJQKCNVUEXBR-ATPKTLTNSA-N 785.123 6.832 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CCC[C@@H]2[C@H](CC)N(CCCOC)CC[C@@H]21)C4 2356639248 IZOGQQHQDRWBRN-PMLJDEGTSA-N 897.075 5.483 50 1 KKGF CC[C@H](OCOC)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC 2356698078 FKZBLCZOLUNILC-WYOANRFPSA-N 705.015 6.244 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@H]([C@@](C)(O)C1CCCC1)C4 2356767847 HPWOCVSXSRYEIG-KDELRZKBSA-N 725.835 5.537 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@H](C)[C@@H]1CCC(=O)O 2356811104 BEEZEVJKKMWNLU-YWMUFLPLSA-N 592.696 5.514 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356851130 QERRFFAURPVZHC-BCTPXOTISA-N 756.043 7.760 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSS[C@H]9CC%10=C[C@@H]2[C@@]1(C1=C3CNC(=C%101)N9)[C@H]4[C@@](O)([C@@H]6O)[C@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]7C8=O 2356853932 RKWXQVHUSHTXFY-NJKKIQEBSA-N 973.179 5.138 50 1 KKGF Cc1ccc(CC(=O)Nc2ccc(NC(=O)/C=C/c3ccc(C=C(C#N)C#N)cc3)cc2C(=O)c2ccccc2)cc1 43379968 QOGNDNVUJASBAD-OBGWFSINSA-N 550.618 6.490 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)c1ncnc(N=C=S)c1[C@@H]2c1ccc(Cl)cc1 64564750 AHVWLSFZYGKDDL-OAQYLSRUSA-N 552.081 5.439 50 1 KKGF Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 70459590 QGPCRLUSDYAPAL-MXAYSNPKSA-N 534.450 5.114 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)Nc1ccccc1NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101406164 BCMFLFZATVMFKH-OAQYLSRUSA-N 559.713 6.601 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348705 OJBIPPOMVGNUFL-CFTGJMFHSA-N 929.307 9.037 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169615398 CRSJHIRCVZDTHB-RZXGFQPZSA-N 832.066 7.556 50 1 KKGF C/C1=C\C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 195081201 ZBKZGKOPNVIOTD-JRNGDYJKSA-N 541.110 5.222 50 1 KKGF Cc1c(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc2n1C[C@H]1CCCN1C(=O)/C(C#N)=C/C1CC1 211056962 CHUVQXPESSHLOM-QJUACMODSA-N 536.611 5.771 50 1 KKGF CSc1cc(C(=O)N2CCC(c3cccc(CN)c3)CC2)cc([Si](C)(C)O[Si](C)(C)c2cc(SC)cc(C(=O)N3CCC(c4cccc(CN)c4)CC3)c2)c1 231558080 MOGPKFKDWOMWNP-UHFFFAOYSA-N 811.279 7.628 50 1 KKGF in-vitro C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@H](Cl)C[C@@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CF 253862535 FEJQUBQBRRMWJR-CHLDEUEOSA-N 523.428 5.846 50 1 KKGF CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)[C@@H](Cl)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@@H](C)[C@H](O)C(=O)[C@@H](C)[C@H](C)/C=C/[C@H](O)[C@@H]2O 255222136 JZUTVBHNLVBSJC-GFVWCXBESA-N 957.724 7.452 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccccc1)C(=O)Nc1ccc(C)cc1-2 299809965 AKRZNPIBXGJSIK-QGZVFWFLSA-N 507.254 6.870 50 1 KKGF Cc1ccc(O)c(/C=N/NC(=O)c2ccc3c4c(ccc3c2)N2Cc3c(ccc5cc(C(=O)N/N=C/c6cc(C)ccc6O)ccc35)N(C4)C2)c1 299862428 JQBUNFAMDZCGAG-GAAYKLLRSA-N 674.761 6.847 50 1 KKGF Cc1cn([C@H]2C[C@H](N3C(=O)CS[C@@H]3c3c4ccccc4cc4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473135386 HUCXRUFVFITDOK-MPVRDSJCSA-N 617.844 6.516 50 1 KKGF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587074285 VDYYSUPFJPHXBO-UHFFFAOYSA-N 523.752 9.279 50 1 KKGF CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2o1 587186868 XLKJJFMWPZQIFF-UHFFFAOYSA-N 623.183 8.088 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325940 IDIUEJPMYANCDS-QXTIUPHPSA-N 526.004 6.209 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 587730325 FHDQUDCILAQJCC-PWECECGKSA-N 501.802 6.892 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587859607 XQLXRDNZEKWDHG-HAWMADMCSA-N 547.921 6.532 50 1 KKGF COc1cccc2cc3c(nc12)[C@@]1(NCC3)C(Br)=CC2=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC2=C1Br 963061771 XWYYMSIGWRERKR-MGBGTMOVSA-N 889.214 9.041 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)C(=O)[C@]1(C)CC[C@H]2[C@@]1(C)CBr 963175739 RYYPRAINYNSPFT-IDXGSDEMSA-N 664.644 6.562 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)c3cccc(Br)c3CCN2C)cc1 963279269 FOQBYVKFCOHKCU-UIOOFZCWSA-N 559.298 5.844 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCn3nncc3-c3ccc(Br)c(Br)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772644477 TYQLVWOOPWVZBJ-CPPPSAAHSA-N 613.347 5.695 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356292703 VIDPGJPDNJGQAX-PBKNVDDNSA-N 877.231 7.780 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@@H]2O)cc(OC)c1O 2356359395 JTGBKXDBDBFEJL-OORNDRSISA-N 670.846 6.106 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](C6(c7ccccc7)CCCCC6)CC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356618513 WWRBRFBOLPCQMI-ONIBTCDFSA-N 991.454 12.390 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]2SSC1 2356721511 HAYPXTXDDKEWNC-VZRZCZOUSA-N 726.149 10.905 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCO)CCCCC4)c(=O)oc3cc1O2 2356812400 BJJVHDUAUCIUFI-AVBZSTJOSA-N 861.140 5.405 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@@H](O)SSCNC7=CC(=CCN7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356864212 VSOBCDYTXOFIRU-WVDLHOASSA-N 702.983 8.086 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@H](CCc4ccccc4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@@H]5C[C@H](O)CC[C@]54C)[C@@H]3CC[C@H]21 2356864573 VWRKIZHQIIQNMJ-HHVYYIMVSA-N 730.137 8.976 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H]3NCC[C@](c4cccc(O)c4)(SSC1)C3=C2 2356864837 WADXRHCCYOHMGC-DRCSHASESA-N 606.810 6.020 50 1 KKGF O=C(CCl)Nc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1 14970934 NXWNIQDCNWCKPB-UHFFFAOYSA-N 537.081 7.108 50 1 KKGF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 26577320 RFNUTMXSNZMOSL-PKDBARMHSA-N 718.795 5.656 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCCCCCNC(=O)CCCC[C@H]1CCSS1)O2 27424568 XAYLHSGZUGVTJB-RBISFHTESA-N 536.804 5.908 50 1 KKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(CSc2ccccc2)=N1 43260594 XYVNWHNRSXXPHK-FMIZDUHGSA-N 541.639 7.106 50 1 KKGF CCCCCCCCCCCCCC[C@H](Cl)[C@@H]1CC[C@H]([C@@H]2CC[C@@H](CCCCC[C@H](Cl)CC3=C[C@H](C)OC3=O)O2)O1 44307563 ROKGRZFPUBHZGI-NTYHIOGOSA-N 615.767 10.600 50 1 KKGF N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933473 RLDQJOSKOZTNAK-LOSJGSFVSA-N 510.384 6.512 50 1 KKGF N#CC1=C(N)OC2=C(C(=O)CC(CCCCCCBr)(CCCCCCBr)C2)[C@]12C(=O)Nc1ccccc12 98082470 PJFZUFAGZONGCV-GDLZYMKVSA-N 633.425 6.895 50 1 KKGF Fc1ccc(C(OC2C[C@@H]3CC[C@@H](C2)N3CCCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 100900588 NDQHYTPBWHOLRM-VMPREFPWSA-N 518.673 7.823 50 1 KKGF O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2)[C@@H](Br)C(=O)c1ccccc1 102985097 QYEDGIXYKFCJQL-AVCSHALZSA-N 584.427 5.002 50 1 KKGF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587069307 HULBYDDSENIQRP-VIFPVBQESA-N 503.718 8.013 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587544931 PQSZFAGWNAGGRO-QXGAZULMSA-N 515.949 5.504 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670188 IOGYAMCWQPOPII-JRLRZGBRSA-N 519.252 6.942 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@H](Cl)C(=O)c2ccc(Br)cc2)cc1 587884372 KFLHCSYSFDZKMR-DEOSSOPVSA-N 577.689 6.139 50 1 KKGF COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 587941919 YYXQFKOPUJXIJF-VRCSSVMSSA-N 847.329 6.913 50 1 KKGF CCCCCCCC/C=C/CCCCCCCCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587959639 MTUDKVCUWAQCRK-MDZDMXLPSA-N 536.739 11.971 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(C(F)(F)F)cc1 618017269 KTKYYFRZQSMGFT-MOPGFXCFSA-N 646.606 5.181 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1ccco1)c1ccccc1 962704102 IMVLKDBDJARHFA-BHYZAODMSA-N 519.670 6.319 50 1 KKGF COc1cccc2cc3c(nc12)[C@@]1(NCC3)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 963058465 OVDKVSAXNFPMAA-MUUNZHRXSA-N 518.400 5.056 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1cc(C)n(-c3ccc(C(C)C)cc3)c1C)N(C(=O)c1ccccc1N)CC2 963134349 CBIMEDSDXYXTPW-UUWRZZSWSA-N 572.149 6.998 50 1 KKGF O=C(NCc1ccccc1)[C@H](c1ccc(OCCBr)cc1)N(C(=O)CCc1ccccc1)C1CC1 1772655321 SUSHJEGXWOMLBV-NDEPHWFRSA-N 535.482 5.442 50 1 KKGF CCCC[C@@H](CCCC[C@H](C)[C@@H](OC(C)=O)c1cc(O)cc(O)c1)c1c(O)cc([C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](C)CCCC[C@H](Cl)CCCC)cc1O 1857644567 SOQDHIOFRVNKJC-LPHJBCMQSA-N 795.451 8.775 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356321534 WZOIYUSZMPIIOC-XICMTSMQSA-N 834.117 9.713 50 1 KKGF CC(C)Cc1cccc([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@@H](CCCO)[C@@H](CO)C5)c1 2356354748 PPXZJLMENKGELZ-NTZMIXKTSA-N 680.037 7.252 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2 2356357634 JZOLJCGNCRDGQY-IGPATENTSA-N 941.358 10.704 50 1 KKGF CC(C)(C=CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)C3=CC(=O)[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)OO 2356406159 ORHJTDMTWRWOIU-CZOLGXNXSA-N 518.691 5.018 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356440250 SWCLCJACYNBTKI-AUSPDLIZSA-N 919.216 8.422 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356510140 OLWURSRHTREDBX-ULWHLXMCSA-N 926.248 7.328 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)CN[C@H](C)CCOC 2356575544 RPAPKNHASJOCJU-QOYALDQYSA-N 735.063 6.556 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@]47C=C[C@H]6C[C@@H]4CCC7)C[C@H]1CC[C@H]3C2)C5 2356645234 JKTZXSNJFDBLEX-FEUXWKOESA-N 991.418 11.431 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356686654 NVBDOYCAADZAEN-XIXJOFNVSA-N 855.214 7.158 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@@H](c3ccccc3)CC[C@]43C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@@H](O)C2)C4 2356741587 BXMKFVBMCYBUDH-CYRMUFDQSA-N 977.391 10.707 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@@H]41 2356760404 HEHHAVLIZIEJLP-LTUHXUIASA-N 894.258 5.840 50 1 KKGF CCCCC[C@@H]1CC[C@H]([C@]2(C)CC[C@H](O)[C@@]34[C@H](O)CC[C@H](C)C[C@H](Cc5ccccc5)CSSC[C@@H]5CC[C@H](Cc6ccccc6)C[C@@]56CC#C[C@@](C)(C[C@@H](OC6=O)[C@H]23)[C@]4(O)CCC2=CC(=O)OC2)C1 2356776080 DCYWJYTWBKDUBN-NXWQJHNTSA-N 993.470 12.537 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=CCN=C1 2356809374 AQIYRFYTWHTRFI-GNOCQHTLSA-N 901.093 5.086 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1C1=CCN=C1 2356875115 ZZLXRKHPVGJNJV-VQUNJTTLSA-N 929.147 5.866 50 1 KKGF O=C(Nc1ccccc1)OCCN=C1c2ccccc2[C@@H](Br)[C@H](Br)c2ccccc21 1643746 RCAMYZDOHPSKDC-FGZHOGPDSA-N 528.244 6.658 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3cnc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC 26377758 SGYKVLLOHIVPDZ-KRWDZBQOSA-N 649.060 5.720 50 1 KKGF N#CC(C#N)=C(SCc1nnc(-c2ccc(Cl)cc2)o1)SCc1nnc(-c2ccc(Cl)cc2)o1 71316765 VSJVTBCYWYOENO-UHFFFAOYSA-N 527.418 6.519 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(Cl)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84707102 FCTMPTIVCWBPGY-XMMPIXPASA-N 534.447 6.314 50 1 KKGF Cc1ccccc1N(NC(=O)CC(=O)NN(C(=S)c1ccccc1)c1ccccc1C)C(=S)c1ccccc1 103147595 OMPQJLODODJFLW-UHFFFAOYSA-N 552.725 5.820 50 1 KKGF C=C(/C=C/C=C(/CO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C 103574757 GEZNSMOWMILNSK-KSLJSPBTSA-N 555.800 5.094 50 1 KKGF biogenic,in-vitro CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 169373403 AQORIEFKNIFUEU-GAPJWMBLSA-N 901.272 7.621 50 1 KKGF CC(=O)N1[C@@H](CCc2ccccc2)C[C@@](C)(C=O)[C@@H]1Cc1ccc(O[Si](C(C)C)(C(C)C)C(C)C)cc1 195516831 NQKRUOIDANURON-GOBOWQCMSA-N 521.818 7.611 50 1 KKGF COc1ccc(O[Si](C)(C)C(C)(C)C)cc1[C@H]1OC[C@]2(O[Si](C)(C)C(C)(C)C)[C@H](Oc3c(OC)cccc3OC)OC[C@H]12 211508149 YFOKOFWHLHCBCA-ACDWKKDSSA-N 632.943 7.980 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1)[C@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1 253647187 QMMNPJKVOZYGDW-QWWQXMGCSA-N 634.777 6.162 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C[C@@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NCc3ccccc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253805326 LQCSCUOIVIKCOS-YPUZKFAOSA-N 709.921 7.200 50 1 KKGF CCNC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 299847260 LFYVETSPEPPKAU-AOGUHKDTSA-N 661.877 6.794 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)C1 587569470 LNODSRSLYUYSCB-CKYQRGPGSA-N 668.568 7.402 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 587685433 SXVKFFQDFVCMOM-VVVCHXIZSA-N 517.053 5.496 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587686528 CYHJQEAFHKGMGF-JYCPIGSLSA-N 527.821 5.525 50 1 KKGF C[C@]1(c2cc(F)cc(CCl)c2O)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962474814 LMAPNGBTHJMOJT-ZUKKLESISA-N 573.020 6.189 50 1 KKGF CC(=O)NCCc1ccc([C@@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962476112 QWMZASYKEGNYFP-NQVJXQQZSA-N 610.110 5.503 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(c1ccccc1)[C@H](Cl)C(=O)Nc1ccc(Cl)cc1 963069021 SFNOSGMBOYTBMK-AIUMLWGBSA-N 638.548 6.308 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)c1ccccc1C[C@@H](C(=O)O)N5C(c1ccccc1)(c1ccccc1)c1ccccc1 963092741 LLQNYUYKSXBQAV-HUTTVYNUSA-N 868.486 10.331 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)([C@H](C#N)c2nnc3n2CCCCC3)N1 963169164 DZAYWPNFWIQBSH-IVJUJLGTSA-N 672.233 6.026 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2c(Br)cccc2OC)N1 963169567 GOJGOYRWIUCHJS-NWWLCHBLSA-N 727.497 7.376 50 1 KKGF O=C(NNC(=O)[C@]1(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 963187264 CJAKKUUYZGSEAV-YJBJDYJBSA-N 742.788 7.393 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCCCCl)(c2ccc([N+](=O)[O-])cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963380640 LTOVPJQWUABWFK-JUKUECOXSA-N 641.120 7.302 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cn([C@@H]4O[C@@H](COCc5ccccc5)[C@H](OCc5ccccc5)[C@@H]4OCc4ccccc4)nn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772602402 CIGVKNDUUCKHMS-BJNFFQLMSA-N 764.920 6.757 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(F)cc1 1857758570 GORBQSXALLNRBR-YPWBNMQWSA-N 659.799 7.695 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356299583 FENRYQKTHDWIIE-GJFGXVGBSA-N 899.145 5.399 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1c(CNC)c(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 2356315378 STMCPQMAHPFADU-GHXQDKIOSA-N 955.256 9.074 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C(=O)Cc4cccc(C(N)N)c4)CC[C@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356370032 LQQRMOFFWIFBDL-CYWTXIQDSA-N 747.080 7.044 50 1 KKGF CC(C)=CCCC(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(C)O)=C1CCCCC1 2356372052 WOJVNVSKJVYLBI-AQBGDFGDSA-N 578.834 6.697 50 1 KKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H](Br)[C@@]3(C)CC[C@@H](OC(=O)c4ccc(O)c(c4)C[C@H]12)C(C)(C)O3 2356527670 GBMOKJSIQVZHEU-UJTWLNNNSA-N 584.389 7.101 50 1 KKGF CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@H]4CCCCCCCC)[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2356535154 ZKUCDSCKSARUCE-LQQABPQNSA-N 826.968 15.850 50 1 KKGF CC1=C[C@H](OC(=O)c2cccnc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@]2(C)O[C@H]2CC1 2356541060 FDAHWIIHUAQTGL-KZVVVFBHSA-N 682.770 6.573 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@@H](O)C1 2356572351 YDULBHPBPJDLQZ-XIJJBPJVSA-N 845.100 7.083 50 1 KKGF CNCc1cc(O)cc([C@H](NC2CCCCC2)O[C@H]2CC[C@@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356635114 UWXVNTWPOLELGP-NCGDOAOASA-N 761.019 8.286 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356682933 BBYHPXZSKHVDTB-XBLICKRWSA-N 877.220 7.291 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)c1O 2356746432 VTOVHCQPESIXOQ-FOYQTZOMSA-N 736.949 8.003 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc(C(N)N)c3)=C3CC[C@](C)(O)[C@@]2([C@H]3CCCO)[C@@H]1O)CCC=C(C)C 2356756017 MJELDTMLXDXABX-MNXSPNPXSA-N 711.047 6.490 50 1 KKGF COC(=O)c1cc(C(=CCCBr)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC 1627633 MDXZTEULLCCAPZ-UHFFFAOYSA-N 532.214 5.801 50 1 KKGF CSc1ccccc1P(CCP(c1ccccc1SC)c1ccccc1SC)c1ccccc1SC 1863822 JXRFSPHGORBIOI-UHFFFAOYSA-N 582.802 8.140 50 1 KKGF O=C(SC[C@H](CN1CCCC1)SS[C@H](CSC(=O)N1CCCC1)CN1CCCC1)N1CCCC1 28872859 XFBDLGMKUXQTPP-VXKWHMMOSA-N 546.894 5.195 50 1 KKGF O=C(SC[C@H](CN1CCCC1)SS[C@H](CSC(=O)N1CCCCC1)CN1CCCC1)N1CCCCC1 28872881 INQMULBWBLBPFI-ZEQRLZLVSA-N 574.948 5.975 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)NC)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 58487115 GJBAPQBREOYJGS-OOXOXIJESA-N 661.877 6.794 50 1 KKGF C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1ccccc1 85549446 UMCPYFZQPXRAEL-MQZYYQAVSA-N 567.865 5.922 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169313271 ADNSHKVKSIJBPT-DWNPJKEUSA-N 765.863 8.514 50 1 KKGF O=C(N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccc2c3c(ccc2c1)N1Cc2c(ccc4cc(C(=O)N/N=C/c5cc([N+](=O)[O-])ccc5O)ccc24)N(C3)C1 299870053 VTTXWPCXWSQPMI-QJCMXNLUSA-N 736.701 6.046 50 1 KKGF CCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc([C@@](C)(NC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)C2CCCC2)nn1 474603407 BYOPDQJCVKOGHN-PQAYDCGMSA-N 919.027 7.472 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4ccccc4)[nH]c3cc21 587188844 WIAPBRCOYIXJLW-CIAFOILYSA-N 583.556 6.046 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 587321024 BYXXHDQFCRJADX-XTEPFMGCSA-N 554.843 7.195 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(-c3ccc(Cl)c(Cl)c3)no1)CC2=O 587456569 RGKNVLVRLMZYLB-QFIPXVFZSA-N 511.199 6.562 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@H](Cl)C(=O)c2ccc(Br)cc2)N1 587677104 GODACOLORFHRTH-DHTHFVMWSA-N 630.577 7.381 50 1 KKGF CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@@H]([C@@H]2C1)[C@]1(C=C2[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961748138 IOZVCXHQQIDBTD-DOUKTNMASA-N 813.087 10.208 50 1 KKGF COc1cccc(NC(=O)[C@@H](Cl)[C@@]2(c3ccccc3)c3ccsc3CCN2Cc2cccnc2)c1 962998064 NVXQXYDXCOHOLG-IXCJQBJRSA-N 504.055 5.700 50 1 KKGF O=C1C(=Cc2cc([C@]3(CCl)c4cc(F)c(F)cc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c[nH]2)C(=O)c2ccccc21 963039317 NKZJNWFEUDCDLF-GOOTYSBQSA-N 705.113 7.498 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3C#N)CC2)nc2ccsc12 1772652578 YMMBLYPKHCSZPV-AATRIKPKSA-N 520.662 6.585 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@@H]21 1857628285 YHFYZJXWWYSIRI-KXQOOQHDSA-N 689.728 8.199 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC=C5CSSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 2356351046 OMBSIJMQTQBVQC-MCILTMJWSA-N 883.185 8.772 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCO)CSSCO4)[C@@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356352825 CEDKDQGGHXWARL-BBHHAMIFSA-N 786.962 5.115 50 1 KKGF CCCCCCCCCCCCCCCC(=O)Oc1c(CC=C(C)CCC=C(C)C)c(O)c2c([C@@H](CC)OO)cc(=O)oc2c1C(=O)[C@H](C)CC 2356412646 WVJSYWPTTUYENB-FHPVIJFVSA-N 710.993 12.290 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC 2356415711 SZWLTTKBTHUVFJ-GTHAQIEUSA-N 974.255 8.374 50 1 KKGF C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@H]1O[Si](C)(C)C 2356486144 GTYAYTGQTNZBGS-MZFWLMBZSA-N 698.243 7.736 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356541811 NZIXMPPZCUGLMJ-CKZOWTKKSA-N 908.196 9.030 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]56CSS[C@@H]([C@H](O)CC#C[C@@H]5[C@H](O)[C@](O)(CO)C[C@]36C)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356767580 DUIDKQICBJPFJC-QYPWJFJTSA-N 974.292 5.108 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356828063 IRWPIYKCKOBIQT-MYGJEZSUSA-N 941.270 7.604 50 1 KKGF CN(C)CCN(Cc1ccccc1)C(=O)Cc1ccc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12 27649738 RRIIXDKWDRHQLX-FMFFXOCNSA-N 543.067 5.096 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc(Cl)cc34)cc2)N1c1ccc(Br)cc1 49695425 MONNIKNIIQANRH-BJKOFHAPSA-N 545.216 6.483 50 1 KKGF O=C(NN1C(=O)[C@@H](Cl)[C@H]1c1ccc(Cl)cc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1 51092441 PPQQKFLWAGERRF-VQTJNVASSA-N 589.093 7.333 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597307 ZIPHEWXHWGGITJ-ZMXPCBJTSA-N 819.055 7.182 50 1 KKGF biogenic,in-vitro O=C(CCCC[C@H]1CCSS1)NCCCCCCNC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101082855 NFJNQTUUSFYNDA-QHCPKHFHSA-N 567.777 5.817 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2cccc(C(=O)OC)c2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293483 GCCLWXJGKFXFOD-UHFFFAOYSA-N 534.678 6.593 50 1 KKGF COCCC[C@@H]1CCCC[C@]12CC#C[C@H]1/N=C(\N)N[C@H](C(C)C)CSSC[C@H]1[C@@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC4 150348328 GOHRRKBBLYFFGZ-IUDJWLKISA-N 903.221 6.061 50 1 KKGF biogenic,in-vitro C#CCCCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]23)OCO5 211466387 PEVATTKHRMFTRD-SYQUUIDJSA-N 523.790 6.776 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](Cl)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)/C(C)=C/[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@@H](C)[C@H](O)C(=O)[C@@H](C)[C@H](C)/C=C/[C@H](O)[C@@H]2O 255264394 SFTBIUYIRWPRME-MSOUAJEHSA-N 931.686 6.896 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cccc(Cl)c1 587072092 UAXJKVILDRIMDC-HNNXBMFYSA-N 576.813 8.445 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323607 RYTGIUPNTZZNOQ-ODGPQVTHSA-N 564.201 5.786 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587324934 VUMZJFAAYCNKJG-MOEKTUBNSA-N 541.962 5.944 50 1 KKGF COc1cc2c3c(c1)O[C@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)[C@@H](C2)C3=O 587413781 QFAFYDANNBYKHT-WXVAWEFUSA-N 507.380 5.019 50 1 KKGF O=C1C[C@@](CBr)(c2ccc(Br)cc2I)Oc2c1ccc1c2CCCC1 587505714 NBIORTXDWMFCCG-HXUWFJFHSA-N 576.066 6.188 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 587683013 FGRBFYPSRODBLU-YDBLSZJJSA-N 548.239 5.789 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)N[C@H](C)Cc3cc(Br)c(F)cc35)[C@@H]2C1 587718405 NVDZRMLFZHOYAV-ZSIQTKKOSA-N 606.979 6.854 50 1 KKGF CN(C(=O)NC(=O)c1ccc(Cl)c(Cl)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)s1 653875540 RKWONWYIUQBRPW-OXUBWTJQSA-N 589.339 5.127 50 1 KKGF Cc1ccc2c([C@]3(CCl)c4cc(O[P@](=O)(O)OCc5ccccc5)ccc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c[nH]c2c1 963090721 YJAXGEIGBZZJGE-QHIUNZLJSA-N 763.183 8.915 50 1 KKGF COc1nc(O)c([C@@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(O)c1OC 963185047 KAQNETZOZKRPGC-XQCSMPNASA-N 615.860 5.533 50 1 KKGF C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1cc([C@H]2C[C@@H]3/C(=C\C)CN(C)[C@@H](Cc5c2[nH]c2ccccc52)[C@H]3C(=O)OC)ccc14 1857589032 AGWMBJRYDMTXSY-YMEZFCKSSA-N 628.817 6.082 50 1 KKGF COc1ccc2[nH]c(C)c([C@@H]3C(C#N)=C(N)Oc4c3cc(/C=C/C(=O)c3cccs3)cc4C(C)(C)C)c2c1 1857745928 OAUBRUPAMNADNR-BJBDNRMUSA-N 523.658 6.958 50 1 KKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2ccc(OC(F)(F)F)cc2)cc(C(F)(F)F)c1 1857767414 DFZXFUFDZIADCJ-UHFFFAOYSA-N 524.889 6.152 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O 2356366582 MGIUTZRZCXKTDY-AXFHJHGOSA-N 666.858 6.889 50 1 KKGF CCCCC[C@H](C)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2 2356370610 RXJMNHNHEZMLKJ-GTIOFFJBSA-N 890.225 9.983 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356390394 AMLQXPCJWJTBPJ-RAOFJXRWSA-N 983.303 9.296 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@@]3(CNC)CC[C@H](CCOC)C3)c2O)C1 2356487098 OPPJIYPQDGXOJL-IUBUKYMASA-N 797.141 8.513 50 1 KKGF CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@@]3(C)CC[C@]2(C)CC1 2356528895 MSIVJNMEKJEZGC-VMRLCTTNSA-N 580.894 9.916 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356669767 MEFYAYUAOPRDCN-JLUNLKRKSA-N 841.143 5.617 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@@]2(C)CC[C@H](Br)C(C)(C)Cl)[C@H]1Cc1cc(Br)cc(Br)c1O 2356672651 RWUQIKIJRXVZFL-HBAQJFKASA-N 718.634 10.173 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@@H]1[C@H]2CC[C@@]4(C5=CC[C@@H](C)CSSCNC6=CC(=CCN6)CC2=C4C(=O)O5)[C@H]31 2356841262 NGKIDWYCCUOEDD-DZSRLDRQSA-N 604.838 6.817 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NCSSC[C@@]67C(=O)c8c(cccc8C(=O)[C@@H]6C=C(Cc6cccc(CO)c6)C=C7O)O[C@H]6O[C@@]7(CO)C=C[C@H]([C@@](O)([C@@H]6O)[C@@H]7O)[C@]41[C@H]2CC5)NC3 2356843817 NPSTZRKDLCDZIR-YTNKTETCSA-N 949.157 5.139 50 1 KKGF O=C(CN(/N=C/c1ccc(Cl)cc1Cl)C(=O)c1ccncc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 28343973 FJMCOOXFXYTZAU-MHDJOFBISA-N 564.395 5.232 50 1 KKGF CSc1cc(NC(=O)CC[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc(SC)c1 82157426 PLZWFVNAGAHGJR-MPHGCYMISA-N 507.718 6.100 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@@H]5Cc6c(c(OC)cc(c6[C@@H]4[C@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O 85567753 RGVODVDAAJLWFE-VGDQCXRBSA-N 652.831 7.232 50 1 KKGF biogenic,in-vitro COC(=O)CCCCCCC(=O)Nc1ccc(NC(=O)CCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1 95783751 DMKSGEFHUMUSMI-UHFFFAOYSA-O 623.754 7.242 50 1 KKGF Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C[C@H]1CCCN1C(=O)/C(C#N)=C/C1CC1 149474708 WNLTXZCOYCXQHU-VOGGAGISSA-N 518.621 5.632 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC3(C[C@@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)CO3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169289974 DDYNFKIYCLNEIZ-DSPLLHGWSA-N 604.781 6.037 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169361728 SBWFAIGFKMBQFX-ZHPARYKHSA-N 798.421 5.306 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 169363555 ZYNDZWJYJYLFBP-PFXQWBNXSA-N 540.716 7.099 50 1 KKGF C[C@H]1CC[C@H]2[C@H](CSCCCCCSC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169372618 IYYRWMHGTXIFHA-KQICQTHBSA-N 696.925 6.400 50 1 KKGF CC1(C)[C@@H]2C[C@H]3OB([C@H](CCCBr)NC(=O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)NC(=O)OCc4ccccc4)O[C@@]3(C)[C@@H]1C2 253695361 NCDHKRAKNPGZPV-JKHURCEWSA-N 708.503 5.443 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C)[C@@H](OS(=O)(=O)O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OS(=O)(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299859636 XZJOAMBECYPCEE-SKESNUHASA-N 616.839 5.829 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Oc4ccccc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191143 PKSJYSSCOZZCDL-OIRWHXDVSA-N 653.864 8.387 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)CC2=O 587451098 HXRAHDMJLXXNGS-WIYYLYMNSA-N 512.194 5.206 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 587669538 DVXVTZSBRBOWLF-HUTHGQBESA-N 537.021 5.390 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 587685756 RPMJTXYEOAUFRQ-OQHVVPOVSA-N 511.863 5.693 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587850604 QTJMADWAMPIHHE-DFXYEROKSA-N 532.437 6.587 50 1 KKGF C[C@@]1([C@H](Cl)C(=O)Nc2ccccc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962568271 FEPRWCUFPGXGBZ-JBKHTMJZSA-N 582.056 5.803 50 1 KKGF COc1ccc2c(c1OC)[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)N(C)[C@H](C)C2 962573261 NDDZTZVSLXQTKJ-KJZPAOQPSA-N 519.032 6.460 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CCCCCCl)(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1 963021662 QXWRRMXZOJCVTI-VIZCGCQYSA-N 553.461 7.155 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)[C@@H](n5ccnc5)CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857539141 QIGFBEIEJUZYBY-TVDYYWRTSA-N 638.922 6.264 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cnc3ccccc3n2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857561114 CKPJCFKFLBFNMI-CPZIPMIGSA-N 625.549 5.790 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccc3ccccc3c2)c1/C=N/NC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C 1857656057 YEDLAFYBSJYPLE-BIZUNTBRSA-N 572.585 5.687 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOC(=O)CCCC[C@H]4CCSS4)c4ccccc34)[C@H]21 1857747510 KEPMRPWXFNWASE-BNHRFMORSA-N 591.843 7.606 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356301027 PYXYKXYKRWCPFH-FZGDDGPLSA-N 859.124 5.833 50 1 KKGF CCCCC[C@]1([C@@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@H]2CCC[C@@H](C2)Oc2cc(ccc2O)C1 2356368068 LWJCHJQZZVWXES-WTFDKPENSA-N 752.008 9.114 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3CC[C@@H]4[C@H]([C@@](C)(O)CC=CC(C)(C)OO)CC[C@]4(C)[C@]3(C)CC[C@@H]2C1(C)C 2356599158 PNIOLRUIMUJAKL-HCRHUSEFSA-N 759.210 12.781 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@@H](C)N[C@@H](O)C2=C[C@H]1CCC2 2356637086 GQGZUQYWRNQNSJ-ZEQFUVBNSA-N 717.004 5.251 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@@H]2CSSC[C@@]3(NC(=N)NCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356662162 FAVWPUDGBCKLJQ-MAWRKJSDSA-N 797.009 5.782 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@H]1Cc1cc(Br)cc(Br)c1O 2356792183 JLLRGJBOMRATNZ-BUQHWBFDSA-N 933.965 11.257 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356814829 CLOLZMKPRGYBQR-SJHKUUCASA-N 869.027 6.603 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)O)C(CC)=C1C 2356847195 OUQAYSAITXDWKM-UZLBHIALSA-N 562.626 5.470 50 1 KKGF N#CC(=C(/N)Sc1ccccc1-c1ccccc1)/C(C#N)=C(\N)Sc1ccccc1-c1ccccc1 40461537 PQKWYBIJAUESHY-XDHTVYJESA-N 502.668 7.293 50 1 KKGF CCOc1cc(OCCBr)c2c(=O)c(OCC)c(-c3ccc(OCC)c(OCC)c3)oc2c1 40640627 BUVGJRQCCUZTTR-UHFFFAOYSA-N 521.404 5.829 50 1 KKGF O=C(c1ccccc1)c1ccccc1N[C@@H](Cc1ccc(OCCOc2ccc(SCl)cc2)cc1)C(=O)O 43397012 WNRROSMWZRSPJW-NDEPHWFRSA-N 548.060 6.729 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Cl)cc1 45299853 MKKWMQJTZFKWCU-KAYWLYCHSA-N 516.380 6.874 50 1 KKGF COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 82191215 DZSXSEOBPROUOW-QEFHDYNCSA-N 636.098 5.941 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@H](CCCO)[C@H](O)CC5CCCCC5)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 85569319 YRSOWXYYXHAEKR-YAFWASLJSA-N 764.019 8.373 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1O)CN1C(=O)C[C@H](C[C@@H](N=C(N)N)CSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)[C@H]1CCC(C)C 85627398 VFMOMFGRYDWKGC-VDKDFJRPSA-N 680.978 5.547 50 1 KKGF biogenic,in-vitro Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2c(Cl)ccc(C)c2n1 103205500 WUUUTUDWUPOVFI-CUOMRQJBSA-N 592.136 7.538 50 1 KKGF C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@H]4O[C@@]2(C)CO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 299848823 RPVOJEKMAVTVFM-PCNCOXTMSA-N 550.689 5.216 50 1 KKGF CCC(=O)O[C@]1([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587332668 MBWLAMZLPHCNPD-SMSNWIBESA-N 695.199 7.177 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 587339698 ZGNCTBOLTUGVGL-UNMCSNQZSA-N 524.155 6.082 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Cl)c1Cl 587359616 IFPQEMRVEGOQRK-RDPSFJRHSA-N 588.278 6.281 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537429 FJFDUYSOKPMZCD-ZTHLHLQVSA-N 531.402 6.612 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587546396 WJLRBENBMSODCY-SVEHJYQDSA-N 546.362 5.673 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(Br)c1F 587566812 BFJKKPBNHXBNCJ-DYESRHJHSA-N 508.137 5.546 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587674516 XJIMGPGGFWSDPY-HXPMCKFVSA-N 520.078 6.140 50 1 KKGF CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587682831 DSXFEDGVCCJDAF-KFSCONGUSA-N 681.039 6.679 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689569 UNWODVNOLYWQBL-RKPBBICVSA-N 517.826 5.621 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 587690014 YQTTYIYEGRWVTR-YEBMWUKDSA-N 505.815 5.741 50 1 KKGF COc1ccc2c(c1)[C@](c1ccc(Br)cc1)([C@@H](Br)C(=O)c1ccc(Br)cc1)N(C(C)C)CC2 962090030 IDLWSDYWFSYCRC-RRPNLBNLSA-N 636.222 7.377 50 1 KKGF CC[C@@H](Br)[C@]1(c2ccccc2)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962932106 DRSZFDXZXWXNTP-KGRFGQRISA-N 612.904 5.716 50 1 KKGF COc1cc(F)c([Si](C)(C)C)c([C@]2(CCCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963184335 RBDAWLBKRBRMCB-SIKLNZKXSA-N 538.441 5.523 50 1 KKGF CCOC(=O)[C@@H]1CCC[C@@H](Br)[C@]12c1cccnc1CCN2C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963547470 BNXHEKFWCIIXHZ-YBZFOXLFSA-N 618.450 5.680 50 1 KKGF Cc1cccc2c1[C@](CBr)(c1c(F)ccc(Br)c1Cl)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963853217 FSKJYXBXAFQUJI-OYLFLEFRSA-N 605.726 6.825 50 1 KKGF CCc1ccc([C@@]2([C@H](C)Cl)c3ccccc3C[C@@H](C(=O)NC)N2C(=O)[C@H](CC(C)C)[C@H](CSc2cccs2)C(=O)NO)cc1 963937649 HEJFHUMZAGSSMQ-XMOBPNSMSA-N 656.314 6.257 50 1 KKGF N[P@@](=O)(OCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl 1772614287 PLUOKMHXJSTGCQ-PGUFJCEWSA-N 564.813 6.188 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](SC#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857544540 JFYNOFYPYIDYHJ-NBCTUMTRSA-N 511.772 7.490 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)c3cccc(C(=O)C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911573527 KQNORDDAQRCBRY-KETPTGJMSA-N 694.862 7.333 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@H](C(C)=O)N1)C[C@@H]3CO)CC(=O)CC2 2356364308 VJAMOHXCKQSTJE-FLLUOQKLSA-N 955.249 8.859 50 1 KKGF C=CC=CCC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CCC=C(C)C(C)=CC=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@@]1(C)O 2356452964 JPBOABGEVHVPNM-HVXVYMOHSA-N 656.901 6.476 50 1 KKGF COC(=O)N[C@H](C=Cc1ccccc1)[C@]1(C)C(=O)O[C@H](CCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C 2356484268 ORKKTZYRWZJLMK-VHBXCGMBSA-N 537.773 6.769 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]([C@@H]2CSSCc3ccccc3CC[C@@H](c3cccc4cocc34)CNC(=N)N2)C[C@H]1Cc1ccc(O)cc1 2356551039 YIQCQQIPQHJEIU-FFSYSXHCSA-N 986.442 12.890 50 1 KKGF CO[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=C(C)C(C)=CC=CC(C)=CC#N)[C@@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](CC=Cc3coc([C@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@@H]1OP(=O)(O)O 2356623326 VIFOVINDEXWVQN-DUIKGJMRSA-N 878.010 5.383 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356644334 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587019098 GAZOKPANJBSZGV-UHFFFAOYSA-N 535.358 7.377 50 1 KKGF CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587201296 XLSISAAMYRMELD-NDEPHWFRSA-N 759.636 10.600 50 1 KKGF COc1ccccc1C(=O)[C@H](Cl)[C@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587689714 VGCAPTBCZJLWQS-BUNUKWNGSA-N 532.837 5.874 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C2/NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 587694577 MFJDDSMUCCZZHL-ZILCZSGZSA-N 572.265 6.263 50 1 KKGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587696386 UCMNCNFZLZDWFF-SMUXLMKNSA-N 669.459 6.499 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587854653 RQQGFFARHYDXPI-SRGMZFCMSA-N 595.365 7.275 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccc(OC(F)(F)F)cc1)[C@]1(CCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962701782 HATGNIFVNUFCMN-IRTCRQIFSA-N 557.613 6.229 50 1 KKGF CCC(=O)N1CCc2cc([C@@]3(CCl)c4ccccc4C[C@@H](C(=O)O)N3C(=O)c3cc(Cl)c4c(c3O)C(=O)O[C@H](C)C4)ccc21 962965996 JNPCRPGSYYSVBR-YWJFQWNKSA-N 637.516 5.080 50 1 KKGF CCCC(=O)Nc1ccc([C@]2(CCl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963158125 MSOCASSJWVVFRB-GDLZYMKVSA-N 522.045 5.206 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188498 JXFCHPNQRPRTAG-IEKAQBMFSA-N 566.488 6.865 50 1 KKGF COc1cc(/C=C(/C#N)[C@]2(C(C)(C)C)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c([N+](=O)[O-])cc1OC 963196501 XAKBTPYBVNOVNU-AVHKWQGXSA-N 536.632 6.584 50 1 KKGF BrC[C@]1(c2ccc(Br)cn2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832301 NQWREPRKRJONAK-XMMPIXPASA-N 527.260 5.689 50 1 KKGF N#CC1=C(NCCC(=O)NCCCCCCNc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O 1857588130 BFASFHPRUZXSSC-YTTGMZPUSA-N 833.765 6.354 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(C(C)C)nc2N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(C)C(=O)O[C@H]1C3 2356321360 JLVBMOCDSQCHLZ-ILDAOAGGSA-N 704.871 6.233 50 1 KKGF CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O 2356360876 QQUDMENFFCLHSZ-RCHVWZBNSA-N 915.235 8.889 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@@H]([C@H](O)[C@H]64)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N 2356374384 UWUQIPRFJNQVCF-HJIVJTQKSA-N 903.313 6.415 50 1 KKGF CCCCCCCCC[C@](C)(OC[Si](C)(C)C)[C@H](CC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 2356420224 SOTYPNYMOXVXKT-HPSWDUTRSA-N 868.700 11.797 50 1 KKGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@]5(CSSCC[C@@]2(C)[C@]31CC4=O)NC(=N)NC[C@@H]5Cc1ccccc1 2356434194 IHAHPHIPCGBJIH-ZSADSGBOSA-N 553.838 5.597 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356707139 IMLUWNIGOXGNKD-OVOBQCFHSA-N 897.173 7.591 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356715436 WVKFKBMNIXGMKL-LLRMHRDGSA-N 859.252 8.403 50 1 KKGF CNCc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356775335 KHLZZQMMPGZEGK-RFRKRAPMSA-N 739.105 6.265 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@@]1(C)O[C@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4C=CN=C4C3)[nH]c(=N)c1CSS2 2356849112 PSWGZFQYXTULML-SEWRWDASSA-N 804.951 5.916 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356859285 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C[C@H](C(=O)CC[C@@H](C)CI)[C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 98209095 AWHQELOUIOILMT-WQTURIIHSA-N 540.526 6.162 50 1 KKGF in-vitro C=C1/C=C2\C=C[C@@]3(CC[C@@]4([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]4(C)O)[C@@H]3O)C(=C2)COCC#CC/C(C)=C/CC1 103525598 OGNSKUPOUFFPAD-ZQSQHAAKSA-N 546.748 5.692 50 1 KKGF biogenic,in-vitro CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSS[C@H]3CO 150349714 CRZUNFMHPALIMH-KLRCKXSQSA-N 986.286 9.211 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(COC(=O)c3ccncc3)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169365232 QPNLRZTXRIDAFS-GFKPDMQMSA-N 711.893 7.136 50 1 KKGF CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@H]3C(C(C)C)=C(C=O)C[C@]13C)C2=O 238785240 AEVDRGYEHJFKLT-UXSGCWECSA-N 508.699 6.673 50 1 KKGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccc(Br)cc3)N(CCCl)CCCl)cc(O)c21 473081758 CZTKGAAXBHCTHW-JOCHJYFZSA-N 549.248 5.505 50 1 KKGF FC(F)(F)Sc1ccc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587126215 WDWPDYUFSPNANQ-ZZXKWVIFSA-N 525.284 8.765 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191188 VETUWCGOAJBIAM-RNUAOJHQSA-N 668.901 5.845 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541481 BYTQHZNKYCOPIL-ABYGYWHVSA-N 546.362 5.673 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(C(Br)Br)C(F)(F)C(F)(F)F 587545139 GLFRBVMGLNRXHY-IAQYHMDHSA-N 532.053 5.406 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 587673835 QRFNNSRIGGBJAV-BZQUYTCOSA-N 529.247 7.055 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 587712886 BQEJGISMHPESDM-CCLKGCNTSA-N 541.839 7.002 50 1 KKGF CN1CCN(c2ccc(Nc3ncc(Cl)c(Oc4cccc(NC(=O)/C(C#N)=C/C5CC5)c4)n3)cc2)CC1 621431455 JKZXHVBXJYPBFN-HMMYKYKNSA-N 530.032 5.216 50 1 KKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962683563 ZFAWVTGMQOLAPF-BIMVPBQRSA-N 638.126 8.476 50 1 KKGF C[C@@]1(c2cccc(N3Cc4ccccc4C3=NC(=O)CCl)c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962714808 VRGSRKSNAWOYRU-KCWPFWIISA-N 559.947 5.239 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CBr)C1CCCCC1 963083469 YJYRHHQCMVOTOT-WOVHNISZSA-N 535.479 5.336 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(F)cc2Br)N1 963183199 NYGLWWKXXLEZCD-WBVHZDCISA-N 545.552 5.498 50 1 KKGF C=CCN/C(SC[C@@]1(C)c2cc(O)ccc2C[C@@H](C(=O)OC)N1C(=O)OCC1c2ccccc2-c2ccccc21)=C(\C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 963352219 KXAYIVRIBLOCIE-LZTITXIZSA-N 868.028 9.034 50 1 KKGF CCNC(=S)NNC(=O)Cn1c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nc2ccccc21 1857612923 NJVVAOMYHIPCBD-UHFFFAOYSA-N 565.699 5.377 50 1 KKGF Fc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)c3cccc(P(c4ccccc4)c4ccccc4)c3N2)cc1 1857639456 ZNVYZPIYHUQRAX-JSOSNVBQSA-N 505.548 7.412 50 1 KKGF COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(/C=C5\C(=O)N(CCO)C(=O)C(C#N)=C5C)s4)cc2n3C(C)(C)C)cc1 1857651573 XGNUEQBWKAJXBA-HMAPJEAMSA-N 627.813 7.661 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@H](F)Cl)cc1Nc1ncc(C(F)(F)F)c(-c2c[nH]c3ccccc23)n1 1911575072 DBXRFVZKVDDCDS-DEOSSOPVSA-N 594.013 5.867 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@@H]1C)N43 2356291794 AKWNLQFCYZEMGU-VZNKNLFWSA-N 603.847 5.542 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@](C4)([C@@]36C)[C@]21O 2356350847 KPKKTPFPKAKNDS-IMCCWQDASA-N 621.909 6.771 50 1 KKGF CN[C@H](Cc1ccc(O)cc1)O[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356350924 MNPXSFPKZGLJOM-NDTJGYMGSA-N 663.858 6.734 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C12CCCC2 2356366435 IRUIVDQEMNTHHS-UXQDJXIRSA-N 909.269 8.916 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C1CCCCC1)[C@@H]1CC[C@H]([C@H]2CSSCc3ccccc3CC[C@@H](c3cccc4cocc34)CNC(=N)N2)C1 2356368308 JQWVCVZMWMVZNE-RLFPGMIXSA-N 948.437 13.276 50 1 KKGF CN[C@@H]1[C@H]2C=C[C@@H](C[C@H]([C@H](C[C@H](OC(=O)[C@]34CCCC[C@@H]3CCC(=O)N4)C3([C@@H]4CC[C@@H]5c6c4ccc(O)c6OC[C@@H]5CCO)CCNCC3)OC(C)=O)CC[C@](C)(O)CSS2)[C@H]1O 2356602456 ADWRXSKBDDUAQF-ZLMDIMRASA-N 914.241 5.623 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@]23CCC[C@H]2C=CC2=CNCN23)SSC1 2356835590 KTDKYMOLDUPUCK-FKWFWORTSA-N 672.917 7.271 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356841068 NEIOCSZNRUEUOC-AVYOUEOWSA-N 872.075 6.393 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](C1)[C@H](CCc1ccccc1)C1=C(C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O6)C4)N[C@H](N)C=C1)C2 2356855024 QYJQZNUFKYCJIB-CIQOCVAXSA-N 990.301 10.341 50 1 KKGF COc1ccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4ccc(OC)cc4n3C)n(C)c2c1 14944336 RDOOVEMEWGTJTD-UHFFFAOYSA-N 622.772 7.991 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]34C)[C@]1(C)CC2 27425271 DHAWJSBWINUXKR-IIHRHBSVSA-N 508.699 6.054 50 1 KKGF C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 42807774 RZLJLJBEMWGLJD-WKSGFGJDSA-N 638.801 8.504 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Oc3ccc4c(c3)[C@H]3CN(C(=O)C5CCCCC5)CC(=O)N3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 82140534 WVJODENFJFIGPZ-ATUSVJTJSA-N 636.786 5.081 50 1 KKGF COc1cc(N[C@H](C)CCCNCC[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c2ncccc2c1 103250422 KEJXCYMAYLVWMF-ZSMHGLSLSA-N 553.744 6.054 50 1 KKGF Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO[P@@](=O)(O)C(=O)OCc2ccccc2)c1=O 170056886 DDYSDFLNIDNUQI-YZOANRHWSA-N 846.054 5.456 50 1 KKGF CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@H](OO)C3)C1(C)C 257470752 LCJOSIBQVUSWIH-PJOSOZFHSA-N 534.693 7.064 50 1 KKGF in-vitro O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N=Nc2ccccc2)cc1 587537888 LJJRLACKJSHMBX-SHQCIBLASA-N 515.363 7.060 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 587543140 JGEHJSAGBQCTMP-OFSOJUDTSA-N 502.010 7.019 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587543630 LDXAOKJXXRXFRM-RUMFTMGHSA-N 525.944 5.408 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587737977 IVGLFAFYPXHVMT-WKCGLRCTSA-N 739.094 6.409 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587941115 RNBJSLHMEUFEGL-GDTHEXGYSA-N 813.386 5.001 50 1 KKGF N#CCCn1cc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 962573708 TVPQRWUGYNSDJI-YYFXGUOYSA-N 617.105 6.693 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@]2(c3ccccc3OCC[C@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963030918 CMXPUOSFOPSUMT-YVNVMXSZSA-N 646.484 7.015 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CCCCCCCl)(c2ccccc2OC(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963035465 HZWAKGSQXNFWBY-PZSMLTKBSA-N 714.127 9.557 50 1 KKGF CCN1N=C[C@]2(c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](Cl)C1=O 963079371 KFQKIHUTAGZCIY-IWSWXULLSA-N 730.110 6.294 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](/C(C#N)=C/C=C\c2ccc(OC)cc2)(C(C)(C)C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963366461 LRIZSXSWTUHKTD-IERSWWBHSA-N 668.790 8.154 50 1 KKGF COc1ccc(Sc2cccc(C(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)[C@H](O)C[C@@H]([C@H]3C)[C@]64OO5)c2)cc1 1772631025 DNWJSLAYFSOYGA-FIEOYYOKSA-N 542.650 5.182 50 1 KKGF O=C(CCl)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br 1772646198 RABYJYZJNFNQIQ-VHEBQXMUSA-N 521.509 5.299 50 1 KKGF C=CC[C@@H]1C[C@@H](Cc2cn([C@@H](Cc3ccccc3)c3nc(C(=O)OC)co3)nn2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1 1857606122 FTKGTPCVWLEKTB-JGQLVRIKSA-N 564.803 6.810 50 1 KKGF COc1cc(CCCO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc2cc(-c3ccc4c(c3)OCO4)oc12 1857752198 ZKNRSHOFYCHTFS-IITDUETBSA-N 592.685 6.994 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2)C[C@@H](O)CO 2356299425 CSUCAVOISHUWQI-XZSAJXLCSA-N 950.277 8.706 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356355346 TWSLQAZHPDXUBG-RXQWJGKGSA-N 787.057 9.383 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1 2356366417 HWHPXBFDJJMEAV-CKFDJZPISA-N 805.079 8.090 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356370534 BRXAENSLCPKZDS-KTGAERPNSA-N 978.368 7.552 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356522299 CLHGSKANCUGMIH-LIKPSSRUSA-N 841.187 6.850 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356669766 MEFYAYUAOPRDCN-IDEHCSNJSA-N 841.143 5.617 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24CCC[C@@H]3[C@H]1OC4=O 2356809139 ANSLOGBZKFVWIR-HIEXVOHQSA-N 810.999 5.590 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H]([C@@]23CC4(CCCC4)C[C@@H]2C=Cc2cncn23)SSC1 2356856761 SDGSVVPDTBAHAE-PVKYCRBYSA-N 727.009 8.047 50 1 KKGF C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 44387123 KGMZPHIRNGUERY-KYJUHHDHSA-N 550.648 6.405 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Br)cc1 49708380 XKJRJURWKRJAMT-WUFINQPMSA-N 560.831 6.983 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl 82185652 WBNASTOCKPVIEC-NHCUHLMSSA-N 677.585 6.530 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(-c2ccccc2C(F)(F)F)cc1 95590915 JQGUIBIVXJDNKW-YPXUMCKCSA-N 558.148 6.073 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCOC(=O)CC(=O)OCCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297027 WSZOZLHJAILYOJ-UNJKPMEESA-N 720.897 6.524 50 1 KKGF CC[C@H](C(C)C)[C@H](Br)[C@H](Br)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@]4(Br)C[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 255273037 VIGXEFRKXGTJRB-XNDMFGSXSA-N 774.355 10.313 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 587320599 FVNYKVBMPJIEGX-HTCHUFIESA-N 596.290 7.685 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1C[C@H](c2ccccc2)CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 618017453 QKCYQGPJKOMVDL-PMACEKPBSA-N 556.581 5.004 50 1 KKGF COc1ccc([C@@]2([C@@H](C)Br)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 962684331 ZYHFGMVMYOVBHG-UULLZXFKSA-N 608.451 6.465 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(OC)cc3)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963135798 CPRYHCMUCYTMGM-CWTKIQHKSA-N 645.550 5.892 50 1 KKGF CCn1c(=O)c([C@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)OC)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(N)n(Cc2ccccc2)c1=O 963369888 YYDMIKJKNZIVSE-QQLMSYFVSA-N 721.210 5.197 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@H]3c3cc(F)ccc3CBr)nc(Cl)nc21 963915818 QDNAJBCPKRTNCG-NRFANRHFSA-N 530.829 5.952 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5ccc(C(C)C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 1772599001 ZIAFFBYCQFBFME-ZNVAUFGSSA-N 599.816 7.096 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5ccc6c(c5)OCCO6)CC[C@]4(C)[C@H]3CC[C@]12C 1772613254 NYTJYJVKMSDRHN-XQGRGDSYSA-N 615.771 5.744 50 1 KKGF COc1ccc([C@@H]2CC(c3ccc(O[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)=NN2C(C)=O)c(OC)c1 1857651747 YSLQUOZMZPGNIT-JLOUINCBSA-N 606.716 5.988 50 1 KKGF COC(C)(C)CC/C=C(/C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CBr)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]3CC[C@]12C 1857771372 YDSZCPWPANJYBX-QRDNWPRJSA-N 716.636 9.046 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)CC[C@]6(O)C[C@H](NC(=N)N)CSSC4)O[C@@H]21 2356295316 ZEGDPFLSHFYAPL-XNHWBQLWSA-N 708.903 5.945 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2 2356351071 PICRGWNTIUXWHJ-UYBKAROGSA-N 967.396 11.409 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356359449 LESLKQIQIYAOLN-UXHZFFLPSA-N 825.144 6.298 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@H]1CCC[C@@H](C)C1 2356366099 AAOVQVCDKSYKLO-YJAIEUMOSA-N 808.113 6.381 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](CC[C@H]3[C@@H]1O[C@H](c1cc(O)c(O)c(OCCc4cccnc4)c1)C[C@H]3OC(C)=O)SSC21CCCCC1 2356527664 FZZRIEDNTMQDOE-BSPVOPDWSA-N 847.113 8.121 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)C5(CCCCC5)SSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@H](NC1CCCCC1)CSSC2 2356589662 NGRNBHPIYIRGPO-YFAMPDEHSA-N 922.310 11.352 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](C5)c3cc(O)ccc3-4)[C@H](C)CCSS2)cc(OC)c1O 2356619328 BJYFBYIHRWOECL-TXGWKUNFSA-N 666.858 6.961 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356742923 KLZLKFKXEWUJBL-DSNLGYOCSA-N 978.324 6.234 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H]1CC=C[C@@H](C1)SSC[C@@H]3[C@H](O)[C@@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 2356768147 MAJCRYUUKDOHHU-QXXOJUCOSA-N 706.923 8.640 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356823901 GPXLPHNTFSFTLV-VUDSELQXSA-N 828.962 5.810 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356824625 GWOIVIGPYVEMQA-SHEGVRBLSA-N 953.237 6.060 50 1 KKGF C[C@H](O)CN[C@@H]1CC[C@H](O)[C@H]2[C@@H](O)C[C@H]3C(=C[C@H]2C#C[C@H]([C@H](C)Cc2ccccc2)C1)CCc1cc(O)c(O[C@@H]2C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]2O)cc13 2356841541 NJVVJXDCWVZOBW-CTSVINJNSA-N 939.298 6.116 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356870782 XUQPJYDDPFBJLZ-SPAWATRCSA-N 935.355 9.228 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)CNC(=O)OC(C)(C)C)C(=O)CCl 27628203 SMVXYUGVHVPSRR-CQYZNLNVSA-N 515.160 5.956 50 1 KKGF CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(NC(=O)CBr)c1 28388659 BYOCDQOQKLBWOV-DEOSSOPVSA-N 647.441 6.556 50 1 KKGF Cc1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)CCCN(S(=O)(=O)c3ccc(C)cc3)CC(CCl)C2)cc1 29132429 BARFRFBNDXSABS-UHFFFAOYSA-N 618.265 5.136 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40395062 MOUMPLMHTHTRSN-QSPIDWHTSA-N 507.169 5.927 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4F)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 96283543 PSTHAQGLUUIJDB-CHSHITCJSA-N 621.660 7.109 50 1 KKGF CCOc1ccc(/C=C/C(=O)c2ccc(OCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc1 101752441 CADSUMCLCHMILS-YOKMROOPSA-N 592.685 6.111 50 1 KKGF CCCCCCNCCCc1ccccc1/C=C/C[C@H](C)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@H]1C1=C[CH+]N=C1 150343977 VDABMNJDDLSCGW-JNXXEZEFSA-O 1012.240 6.688 50 1 KKGF biogenic,in-vitro O=C(NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(OOC5(CCCCC5)O2)[C@@H](C4)C3)c1)OCC1c2ccccc2-c2ccccc21 150594169 PSOMXFONCISKRS-UFYMGGTMSA-N 648.800 7.503 50 1 KKGF C[N+](C)(CCCNc1cc(F)ccc1Nc1ccc(S(F)(F)(F)(F)F)cc1)Cc1ccc(Cl)cc1Cl 473151535 QAJOJOZAQXTIFR-UHFFFAOYSA-N 573.454 9.612 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(CN4CCOCC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055107 JYOMKVFNGHPANK-KGENOOAVSA-N 506.437 6.174 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055727 MFNQOTJRCPWVHY-AUWJEWJLSA-N 526.296 7.391 50 1 KKGF Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 587323404 RAPUGGOLIHCQDN-AZGAKELHSA-N 507.359 5.675 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)[C@@H]1c1ccc(F)cc1 587326821 DDLCHPOXYUNLDF-HYBUGGRVSA-N 559.281 6.383 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 587334885 IKAXALXNIBMUGK-RBBKRZOGSA-N 553.165 5.785 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O 587456886 SOWAHCZVUWYRRT-HHHXNRCGSA-N 503.477 6.901 50 1 KKGF COc1cc(Br)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587671950 BXSHSQYFIXGJNZ-APBUJDDRSA-N 552.076 5.541 50 1 KKGF COc1ccc2c(c1)[C@@H](c1ccc(N3CC[C@@H](CO[Si](C)(C)C(C)(C)C)C3)nc1F)N(C(C)C)CC2 962094072 VUCWDMPXKTUNES-JIPXPUAJSA-N 513.774 6.433 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CBr)(c2ccco2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962473300 IDLDJPKBISDLQU-IRPSRAIASA-N 559.416 5.574 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCCCCCl)(c1cccc(C)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962628010 MCKZQSDAGZQRRO-SVEHJYQDSA-N 514.062 6.487 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)cc1 962667663 NWBCMLWZPSGHFS-XTHXZNCLSA-N 557.488 5.840 50 1 KKGF C[C@@H](Br)[C@@]1(c2cc(F)ccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717556 RNGZKDMAACURGD-AOCDJWDUSA-N 710.566 7.109 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]12[C@H]1[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br 962983191 CCLMLPZLDXDEGA-HNIYHUJSSA-N 677.817 5.448 50 1 KKGF CC(C)(C)[C@]1(/C(C#N)=C\c2ccc(Cl)c([N+](=O)[O-])c2)N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963688315 RVJQYKVTOLWMJZ-QFMGWSQZSA-N 603.075 5.129 50 1 KKGF Cc1ccc(-n2nncc2CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)c(C)c1 1772640777 ZBUSPEBPCSNXIR-KXQOOQHDSA-N 626.680 6.053 50 1 KKGF O=C(NNC(=S)Nc1ccccc1Br)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857594627 CXYOUYJDHKEEAA-UHFFFAOYSA-N 528.819 5.451 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@@H]1[C@H]2CC[C@@]4(C5=CC[C@H](C)CSSCNc6cc(ccn6)CC2=C4C(=O)O5)[C@H]31 2356309310 WJOAJRATHFWQIH-UJRHWECTSA-N 602.822 7.516 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@H](CCNC)Cc2cccc(c2)C1 2356349784 NZLFICIELOCPBF-WXGYVCQWSA-N 742.058 5.154 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(cc3c(c2OC)C(=C2CCC(=O)[C@@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356360205 AARMQUTXOOJJAW-CENWTBGRSA-N 641.761 6.900 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356363107 HDHDVRNHSWJXFO-KSSBLYQSSA-N 860.244 6.969 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@@]35C 2356364343 WDDOIXBZHYQOKM-FVWZKCEOSA-N 932.299 7.553 50 1 KKGF CNCc1cccc([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@@H](CCCO)[C@H](CO)C5)c1 2356372224 AHDBGEZCBGQJDZ-BVSOAPQUSA-N 666.998 5.773 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@H]1C=CC[C@H](C)C1 2356756611 UIXMXZGIILVLCY-GQHAUUIMSA-N 822.096 5.477 50 1 KKGF CCC1=CC2=C(C#CCc3cc(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OC)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@@H]2O4)C3)N[C@H]1N 2356820342 FJWIMYTYZNBRAF-HVWGWPGBSA-N 914.203 9.262 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NC3)N[C@H]3CC5=C[C@@H]2[C@]41[C@@H]1C=C[C@@]2(CO)O[C@@H](Oc4cccc5c4C(=O)[C@@]4(CSS3)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]4C5=O)[C@H](O)[C@@]1(O)[C@H]2O 2356827799 IPRRIIKMYQHYEK-AGSJDJJZSA-N 959.152 5.058 50 1 KKGF NC(=O)[C@@H]1Oc2cc(O[C@@H]3O[C@@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](C6=CCN=C6)[C@H]([C@@H]6CC#CCC[C@H]7C=CC(=CC6)c6ccccc67)CNC[C@]35O)[C@H]4O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1 2356842261 MMJABDBQEGLTKK-AWDZLJLVSA-N 985.126 5.289 50 1 KKGF CN(C)CCCn1c(SSc2c(C(=O)Nc3ccccc3)c3ccccc3n2CCCN(C)C)c(C(=O)Nc2ccccc2)c2ccccc21 27710826 ZEORRTRJLYLQMY-UHFFFAOYSA-N 704.966 8.803 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CO 42765494 PIWPKWRRHRILPF-XVBJYKFMSA-N 537.505 5.338 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccccc1)SS/C(=N/c1ccccc1)OCCN1C(=O)c2ccccc2C1=O 49898689 RKUFRDIQTGSIJH-LBYUQGKWSA-N 650.738 6.369 50 1 KKGF CC(=O)[C@]1(C(=O)Nc2ccccc2)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] 49933019 MUEYPBLEVLUFOA-KBMIEXCESA-N 652.755 5.636 50 1 KKGF CC[N+]1=C(/C=C/C=C/C=C/C=C2\N(C)c3ccc(NC(=O)CI)cc3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21 87520174 WKEAUPFBSDWWTF-UHFFFAOYSA-O 816.760 7.083 50 1 KKGF in-vitro N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@H]1c1ccc(Br)cc1 103174446 COAMPALGTKJNPT-KOGVQQCSSA-N 559.261 7.148 50 1 KKGF COc1cc(O)c(/C=C/[C@H](C[C@H](CCc2ccc(O)cc2)OO)c2ccc(O)cc2)c(O)c1C(=O)/C=C/c1ccc(O)cc1 140635330 FQCSWJOXGNZGMF-BQHHGTJOSA-N 598.648 6.797 50 1 KKGF CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(OC)cc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195444776 JERNWCJZAGFOSI-ZYWWQZICSA-N 701.974 6.513 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)OC(=O)N3CCOCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299846670 XBFIHEYPLRDAFZ-KUWYHPFGSA-N 571.843 7.080 50 1 KKGF CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587001465 QXGXMRHEJSFHQF-OSKIOZJYSA-N 879.585 11.557 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2c1 587007143 MRKQLIUEKIETCN-UHFFFAOYSA-N 518.103 7.289 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057549 VHOSQTDBHOYCBT-DHDCSXOGSA-N 539.366 6.635 50 1 KKGF Fc1ccc(-n2nnc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2C2CC2)cc1 587167734 BYPONBCFDDJADK-UHFFFAOYSA-N 524.288 7.247 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)ncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190715 NZWPRCQGFQSPJD-GMNGCZMBSA-N 630.752 7.009 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 587673475 NCZDMVPZKKOQGJ-OQRWROFFSA-N 586.299 6.594 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)ccc2O)N1 587673558 OGAMACVFWZEKKN-VVVCHXIZSA-N 508.023 5.229 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 587677796 BGBMQXUQCRMLER-HOGDKLEQSA-N 546.028 5.366 50 1 KKGF CN(C(=O)NC(=O)c1cccc(C(F)(F)F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 653884778 VKTPLEKIQZIKNC-AOJZPQQRSA-N 611.446 5.950 50 1 KKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)c4c(ccc(OC)c4OC)CCN3C(=O)c3ccc(C(F)(F)F)cc3)c[nH]c12 962679747 SLRHHSLNUXDNBL-VLZNPVHKSA-N 633.110 8.689 50 1 KKGF BrCCCCCn1cc([C@@]2(c3cccc4ccccc34)c3ccsc3CCN2Cc2ccco2)c2ccccc21 962704720 DBKCLACYOABTGB-PGUFJCEWSA-N 609.633 9.364 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2ccc([N+](=O)[O-])c(OC)c2)N1C(C)=O 963299893 APHQESLATKPMAE-ADXNAEDLSA-N 827.663 5.045 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(Br)cc1)[C@@H](Br)c1ccccc1 963612030 RXBNQVCMCAXCIX-BBBIZMJLSA-N 531.288 6.380 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1cccs1)(C(Br)Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963807650 LCVSTVFQWQOKET-SANMLTNESA-N 618.347 5.874 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@H]2CSSC3(CCCCC3)[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356350159 WAJUTDNDCDQOAK-RWKRANRNSA-N 749.992 8.866 50 1 KKGF CC[C@@H]1C[C@H]2CC[C@H]1SSC[C@H]1C[C@@H](Cc3cc(O)cc(c3)Cc3ccccc32)C[C@H]([C@@]2(C)C=CC[C@H](C)C2)C1 2356352579 WUJRZIIBPABWBF-MEAYMBGSSA-N 574.940 10.608 50 1 KKGF C[C@H]1CSSC[C@H]2C[C@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)[C@H]1C[C@@]3(CC[C@]4(CC[C@]5(CCC[C@@H]5O)C4)C3)C[C@@]3(C=CC[C@@H](C)C3)[C@@H]1C2 2356354363 ZPCRLURFSPEVRH-ZHLLLKCWSA-N 740.176 11.295 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]2O)cc(OC)c1O 2356359394 JTGBKXDBDBFEJL-HBMGXRRQSA-N 670.846 6.106 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SS[C@H]5C=CC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)C5)c(O)c(OC)c1O 2356359724 RGPVUBVHEWFNBM-FIJJIDPFSA-N 736.905 6.437 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356374197 PPSNTWWLJXAHIU-DSEXKVOYSA-N 877.220 7.464 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C[C@H]4SS[C@]5(CCC[C@]6(CCC7(CCCC7)C6)C5)[C@@H](CC[C@H](C)CCC[C@H](O)[C@@]4(O1)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@@H]4[C@@]3(O)[C@@H]1O)NCCO2 2356374264 RIOJKCOEIKVSEC-ZVRNCSTLSA-N 994.323 7.446 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)CSSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356476628 MCKKZSADBJKHFS-QJVDUGBLSA-N 765.998 8.152 50 1 KKGF CC(C=CC=C(C)C=CC=C(C)C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)[C@H](O)CC1(C)C 2356539641 VFPVMIPMYVASLR-PGUFJCEWSA-N 538.772 8.930 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356607135 BDDQNHGNMVFAHA-RIDIZJDJSA-N 803.056 8.354 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)[C@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1 2356650775 QTTFBBGYMYEHFO-FCSGSDQRSA-N 615.060 9.565 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@]2(C)C(=C(C)CC[C@H]2Br)Cc2cc(ccc2O)C(=O)O1 2356657226 ZDRFGYGMJGENEX-DYEJEPNJSA-N 584.389 7.005 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)C1CCCC1)C3 2356726633 ZXDFOXHSRBYEJH-QPKLZBKASA-N 699.797 5.365 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@@H](O)CCCC1 2356815183 CPKCTBXOLUCSLM-QENSJNJUSA-N 776.078 5.699 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356826527 QZGWFXCTRMZWGW-WARRZFQZSA-N 798.109 5.909 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](Cc1ccccc1)C1=CC2=CN[C@@H]1N 2356838528 MATAZTRFYLXIFL-RRFOKGOESA-N 602.822 6.475 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6cc(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O7)C4)N[C@@H](N)C=C5)C1)C2 2356841010 NDSKBNQGXGSPGV-QDJUCXSISA-N 886.149 8.482 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356846834 OQVOWBVIJIZBAB-WVNFFRRWSA-N 967.176 6.753 50 1 KKGF COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cc(C)ccc3O)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1 40914982 KLNGEIORDVSMLL-RUMWWMSVSA-N 510.638 6.073 50 1 KKGF ClP1(Cl)=N[P@@]2(Cl)=N[P@@](Oc3ccc4ccccc4c3)(=N1)OCCOCCOCCOCCO2 43491207 DBVTYNNDZOXJAV-LQJZCPKCSA-N 576.678 7.884 50 1 KKGF CC(C)/C=C(/C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc21 149468548 POGITRIJKUNOCX-QRRJMBGHSA-N 543.578 5.243 50 1 KKGF C[C@H](O)CCC[C@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@H]2O)C3 150349127 SRBYUIAJYHFVCK-LKUWWBBXSA-N 889.173 8.103 50 1 KKGF biogenic,in-vitro COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCCCC1)OO2 150522568 DKMPSZABQRXVTG-KANRBCDISA-N 662.861 7.365 50 1 KKGF CCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@H]1[C@@H](OC)/C=C(/COC(C)=O)[C@H]2CC(C)(C)[C@]2(O)[C@@H](O)C[C@]1(C)OOC3=O 198145599 HOCDVFMNFJTYFE-HOMGPBAESA-N 630.775 5.177 50 1 KKGF C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccccc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)C 263621151 VXCLCFNUDTXLDD-NAAHQDJQSA-N 753.985 5.883 50 1 KKGF in-vitro COC[C@@]1(CCCCCI)C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@H](c4ccoc4)C[C@]3(C)[C@H]2C1=O 473117472 ZKIYNWJCXRAJTI-IWIVTERYSA-N 614.517 5.697 50 1 KKGF O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325913 HNGRVMXLODQXBG-YTMVLYRLSA-N 581.383 6.573 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(C(Br)Br)C(Br)Br 587539733 XXOKQQOWVIKAAI-NSHDSACASA-N 585.868 5.324 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587579492 OAUBYXNUJNCLPJ-ABAVYFCKSA-N 542.591 5.925 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587685705 AVAATEUZKBFHOC-BYJWKAGXSA-N 592.889 5.891 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 587844123 MHKQRKPKROCUQN-XUSGNXJCSA-N 574.151 7.252 50 1 KKGF COc1ccc2c(c1)[C@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)N(C(C)C)CC2 962041739 DSNHWJYBVBXGND-SANMLTNESA-N 519.310 7.455 50 1 KKGF Nc1cc(S(F)(F)(F)(F)F)ccc1[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698634 NIZZXGWSYAOYRI-UNMCSNQZSA-N 556.450 6.975 50 1 KKGF CC(=O)O[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717047 RABIVBSIRDFQLJ-QSEWEWPASA-N 912.233 7.910 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1c(C)n(C)c2ccccc12 962998080 RWSJCOKHVLJYBE-WJOKGBTCSA-N 565.497 6.297 50 1 KKGF O=C(NNc1ccccc1)c1cc([C@]2(c3ccc(Cl)cc3)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c[nH]1 963037920 LVFXNRNWTHXDMC-CBZWEFONSA-N 745.182 8.256 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CBr)c1cccc(OC(F)F)c1 963067932 HMYBMHJLMSYTQT-IZVMNLJQSA-N 595.437 5.405 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)([C@@]1(OC(=O)c3ccco3)[C@H](C)C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]31C)N(C(=O)c1ccccc1N)CC2 963137143 HZDYOZAYWQKRSK-NCHOFIJVSA-N 803.780 7.494 50 1 KKGF C[C@@H](Br)[C@@]1(C2CCOCC2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963187995 MNOPNXMYCFHCLV-MYNOJDCOSA-N 580.475 5.945 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2ccc(N3CCOCC3)cc2)(C(Br)Br)N1 963193584 KKBQGOUGCASGSZ-GHTZIAJQSA-N 612.668 5.154 50 1 KKGF CC(=O)N1CCc2ccc(C(=O)[C@H](C)Cl)cc2[C@@]1(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)NCCc2ccccn2)c1 963549013 IKHZESHABXXKBZ-MQFAKOPTSA-N 623.075 5.908 50 1 KKGF Cc1cccc2c1[C@](C)([C@@H]1C=C[C@H](c3ccccc3)[C@@H]3C(=O)OC(=O)[C@@H]31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963918033 XKCBHUASULCFRR-NVOWYRPKSA-N 545.632 5.132 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857587693 VIBJAJZLLMHSDU-GZNLZADCSA-N 632.072 6.599 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356301883 ZMHURSBPOCIBJR-ZZRKCHDSSA-N 823.139 6.466 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC[C@@H]4CCc4ccccc4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356418292 FEVYXIZBDPZHOA-PKWHRTPPSA-N 952.242 6.266 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356728963 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JZYITSDZGPYFIX-ZALQPMSCSA-N 798.256 10.636 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356840619 MSUPQLOEIQGQAA-NOTMFAOPSA-N 757.975 6.067 50 1 KKGF CC(C)(C)C1=CC(=CNNC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)C=C(C(C)(C)C)C1=O 138252339 CBFRNHDMKOZZAS-UHFFFAOYSA-N 563.214 6.608 50 3 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CCCC[C@H]1CCSS1 49938536 RNSASHBZNLJPDG-NZGVREFMSA-N 538.772 5.228 50 1 KKGF O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCCCCCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1 64573126 JODXYFALTVGLTE-PMERELPUSA-N 636.705 6.346 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1ccccc1)[C@H](C/C=C\CCC1CCCCC1)C2 85505531 BCONRCCLNCPPJW-UIYCNFCYSA-N 690.072 9.761 50 1 KKGF biogenic,in-vitro CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@H]1c1ccc(Cl)cc1)O[C@@H]3c1ccc([N+](=O)[O-])cc1 96934105 FXFRYWPTFDGJNU-MZFMZNHHSA-N 528.945 5.571 50 1 KKGF CNCc1c(O)c2c(c3c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c54)O[C@H]3[C@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 150343171 IRNOEGWRFYMMNZ-HGEIZTDOSA-N 943.201 8.001 50 1 KKGF biogenic,in-vitro CC1(C)O[C@@H](CC[C@@](C)(O)[C@H]2CC[C@@H]3O[C@]4(C)CC[C@@H](Br)C(C)(C)O[C@H]4CC[C@@]3(C)O2)[C@](C)(O)CC[C@H]1Br 161813138 HQWJZHVIHPJUEI-WCJWOITNSA-N 668.548 6.586 50 1 KKGF O=C(O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 169299530 IZYGMLSUEPIQQQ-QCIOSCQESA-N 525.970 6.240 50 1 KKGF C[C@H]1[C@@H]2CC[C@H](C)[C@H]3CC[C@@]4(C)OO[C@]23[C@H](O[C@@H]1CC(=O)[C@@H]1O[C@H]2O[C@]3(C)CC[C@@H]5[C@@H](C)CC[C@@H]([C@@H]1C)[C@]25OO3)O4 169615365 GZJIPMCINQOOAP-RUFZKRMSSA-N 576.727 5.447 50 1 KKGF CC(C)(C)[Si](C)(C)OCc1cccc(OCCOc2cccc(CO[Si](C)(C)C(C)(C)C)c2[N+](=O)[O-])c1[N+](=O)[O-] 195429661 RMDRVEAZXKDCET-UHFFFAOYSA-N 592.838 8.004 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195515013 AMSWKXJXTYPJKN-UQWVPHONSA-N 626.036 6.402 50 1 KKGF CC(=O)[C@@]12O[C@](C)(c3ccc(N=C=S)cc3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 253633444 MTDHVDZOLRAWPW-RLBJHELQSA-N 505.680 6.479 50 1 KKGF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587047877 BJPVLOMHGQIMIF-VOTSOKGWSA-N 587.796 8.027 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189962 GTLTUSFIHRYPOE-ZHRULWDUSA-N 597.747 6.873 50 1 KKGF COc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(Cl)c(C)c1[N+](=O)[O-] 587320530 FPYSDKXCJYTIDC-GBXCKJPGSA-N 550.764 6.059 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1 587337030 UQLJYSKFWJZFPD-XCZPVHLTSA-N 528.382 7.225 50 1 KKGF O=C1C[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)Oc2c1ccc1c2CCCC1 587532560 OQMMTOYGSABRSU-NRFANRHFSA-N 551.517 5.707 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 587673544 OCAHFQCHCNEMKN-YEBMWUKDSA-N 515.220 5.854 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(O)c(Br)cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(=O)c(Br)c-3oc12 587897231 XLTCMPZSJCFTCM-UHFFFAOYSA-N 866.165 9.008 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CCCCCCCl)(c2ccc(Cl)cc2Cl)N1 962921480 BRRFYZIZSDKCIU-XCZPVHLTSA-N 548.894 7.523 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CCCCl)c3ccc(C(F)(F)F)cc3)c(O)c2C(=O)O1 962937888 SVOSLEGIAVTWJS-ZFYPQYBXSA-N 636.450 6.580 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@H](c2ccc(OCCCl)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085508 PVEBUOGPKKSQJC-XPSQVAKYSA-N 740.145 8.350 50 1 KKGF COC(=O)c1c([C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n(C(C)C)c1C 963214676 LVNKOYQJPIYNIC-VWLRAHFJSA-N 747.157 6.737 50 1 KKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963704967 PWWCJDXNUJHYDD-VOHIZFTDSA-N 613.154 5.855 50 1 KKGF Cc1cccc2c1[C@](C)(c1cccc(NC(=O)C(C)(C)CCl)c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862846 ICVDIHXMUQDXND-MNNSJKJDSA-N 529.077 6.099 50 1 KKGF CC(C)(C)/C=C(\C#N)C(=O)N1CC[C@H](Cc2[nH]c(C3CCC(Oc4ccccc4)CC3)c3c(N)ncnc23)C1 1772579646 RNQIAQPEDROZGD-PGNNNFQUSA-N 526.685 5.532 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5cccc(Br)c5)CC[C@]4(C)[C@H]3CC[C@]12C 1772601145 KETIJUFGHCUHQV-SRCKYBTLSA-N 636.631 6.735 50 1 KKGF CC(C)(C)c1cc(/C=N/NC(=O)c2nc(-c3cc4ccccc4oc3=O)cs2)c(O)c(C(C)(C)C)c1 1857611855 PRQZBAYKYNACRJ-IPPBACCNSA-N 503.624 5.981 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCOc2ccc3cc(-c4ccc(Br)cc4)c(=O)oc3c2)nn1 1857630843 LLSVLNUKTFNUBA-VWLOTQADSA-N 643.629 6.613 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356293963 NAUAOGFHRBTSGZ-ICFCSZCYSA-N 757.975 6.389 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356374518 YMNSWZYNBSMAFF-BGQZRGDRSA-N 805.160 7.233 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCC1(O)CCCCC1)CC(=O)CC2 2356508944 VMLRIUPBSSBSJC-MYZOBSMMSA-N 987.335 10.125 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356551636 MOJYGLPVUZPANX-PFLZYIENSA-N 940.319 7.342 50 1 KKGF C=C(CO)C(=O)O[C@@H]1[C@H](OC(=O)C(=CCCC(=CCCC(C)=CCOC(C)=O)COC(C)=O)CCC(=C)C(C)C)C(C=O)=CCCC(C)=C[C@@H]2OC(=O)C(=C)[C@H]21 2356565148 QLBJSUHGWCUOJG-QLLOZFISSA-N 778.936 6.800 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 2356597250 AMBOEYLMEUJYPF-FQKCYQNHSA-N 935.351 10.804 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356635931 OSJYXBMTDGJQND-DGRWKLJESA-N 827.160 6.522 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@@H](CCOC4CCCC4)C3)c2)N1 2356729123 HWFGSQIFWMURID-RRDMHZGWSA-N 781.098 8.020 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356774881 FFOFEJQGYYMGND-WSWJNORWSA-N 816.234 7.200 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@]5(CO)C=C[C@@H]6CCC[C@]67CN(C(=O)[C@@]357)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356778299 QZNUMYQAZCFTAJ-CQVWSOAPSA-N 972.320 7.038 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)c1O 2356779015 JHANTRWCLZMOHY-SEDGJVTBSA-N 740.937 7.124 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@]8(C)O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 2356800434 QBKXNFFVHDOYEC-FFEVPVJJSA-N 881.113 6.341 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@@H]1C)N43 2356809107 ANKSCTSXBDOTKQ-LUPVOGLYSA-N 693.972 7.011 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@H]1[C@H]3[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNC2=CC(=CCN2)C1 2356841263 NGKIDWYCCUOEDD-HMFLSAGLSA-N 604.838 6.817 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)CC1 2356858478 TUHWCANAJAFRAP-BYJXTMFGSA-N 829.101 7.147 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6c(CNCCCO)c(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O7)C4)N[C@H](N)C=C5)C1)C2 2356871889 YMFQMRHYRPIRRH-BHTZDYITSA-N 973.271 7.954 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)O[C@@H](C)c3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC 26499136 FHDDYKPUFWIFHH-GHTZIAJQSA-N 659.095 7.548 50 1 KKGF Cc1ccc(-c2nc(CC(=O)N/N=C\c3ccc(OCc4csc(-c5ccccc5)n4)cc3)cs2)cc1 66080489 NVIAXKDUTMKDMA-UHBFCERESA-N 524.671 6.514 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@@H]3CCl 82185649 WBNASTOCKPVIEC-SFTDATJTSA-N 677.585 6.530 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSSC3 150349743 WXBONYDMTLPTAU-MYIMUGEHSA-N 902.168 8.364 50 1 KKGF biogenic,in-vitro CCCCC[C@@H]1CCC[C@@H]2N[C@@H](CCCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@@H]21 195759923 PBOVJYYHOUXFBG-DMYJXINWSA-N 533.917 8.241 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1cc(Cl)cc(Cl)c1Cl)=N/O)/C(Cc1cc(Cl)cc(Cl)c1Cl)=N\O 299861201 KWXLVKYFXPBRJO-XEUGNBHESA-N 681.278 6.666 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3oc4ccccc4c3CSc3cccs3)nc2c1 587010610 DJRNJSYQYNFLGU-UHFFFAOYSA-N 567.424 9.750 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190718 OEFZARONHMZPGG-ZHRULWDUSA-N 658.653 7.496 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)c(C(F)(F)F)c1 587549061 PNFYLCBLBNAGOE-WIYYLYMNSA-N 513.693 6.316 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c1c(Br)cc1n[nH]cc12 587622323 JYSPJHXIVXVJFU-QPOJDDCNSA-N 717.032 6.716 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1COc2ccccc2O1 587686146 BVLFQAISWYTDKD-FZGXAJRXSA-N 533.869 5.863 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587714777 GUNMFIKRXKTFDZ-QCXZJGRESA-N 693.069 7.464 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(F)cc1 587735461 PXZHRHANUGDGGE-SGANQWHYSA-N 507.850 6.405 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl 587848388 IGQFIGULRXSPLV-APBUJDDRSA-N 574.137 5.861 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962665162 LCXPHBWTRBRVKF-AETJINEWSA-N 518.249 5.123 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H]([C@H]2C1)[C@]1(C=C2[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)NCCc2cc(-c3ccccc3)ccc21 962674610 YFENIKCTUWZADX-CYGYNAEESA-N 670.938 9.430 50 1 KKGF COc1cc2c(cc1OC)[C@]1(C3=C(NC(C)=C(C#N)[C@@H]3c3ccc(Cl)cc3)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683525 YSTGEVXKPDFLRZ-DYKQPOOOSA-N 668.115 8.227 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CBr)(c2cccc(OCc3ccccc3)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963034634 GDSBTRHWMOOKOQ-FXBDCZLJSA-N 710.571 8.443 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963065830 FNCDQHDHKLHMJD-OCCBXYMUSA-N 799.135 7.630 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@H](c2cnn(CCCCCl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963071446 JHKXXRIZFMEDRY-FZNHDDJXSA-N 742.165 7.948 50 1 KKGF COc1cc(OC)c([C@]2(C)c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)cc1CCl 963160091 VWDFEZWJAKWBFT-NDEPHWFRSA-N 511.018 5.004 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)c4c(cc([N+](=O)[O-])c(O)c4[N+](=O)[O-])C[C@@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c2C)cc1 963241626 WHIBHQPCQGTTON-ROUMXBAISA-N 767.191 7.758 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])c(OC)c2)N1C(C)=O 963299895 APHQESLATKPMAE-LGMRRTRYSA-N 827.663 5.045 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCl)(c2cc(C)n(-c3ccc(OC)c(OC)c3)c2C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368189 PWFRINOWRRFUTG-QDXHGFHVSA-N 707.223 7.648 50 1 KKGF CCCCCCCCCCCCCC[C@@]1(CBr)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963549253 JHHYUXHDRMFHJB-PGUFJCEWSA-N 688.673 10.039 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1ccc(C)s1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963728190 GNZFYZYCLPECHH-MHZLTWQESA-N 509.027 5.305 50 1 KKGF O=C(N/N=C/c1c(-c2cc3ccc(Br)cc3oc2=O)[nH]c2ccccc12)c1ccccc1F 1772573322 XPIGCRAZLIWKCZ-XODNFHPESA-N 504.315 5.607 50 1 KKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1ccc(F)cc1Cl 1772583619 YRHKGZOPLLBTIL-WXMAUWIXSA-N 517.323 6.123 50 1 KKGF CC[N@+](C)(CCCCCN[P@@](=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl)Cc1ccccc1 1857537939 VFRFRVULRVEXCZ-WECIHKQLSA-N 578.502 5.159 50 1 KKGF CCCCCCCCCCCCCCCCSSCCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCCSSCCCCCCCCCCCCCCCC 1857614478 YEUQGGOBMKTUDQ-HUESYALOSA-N 920.456 15.723 50 1 KKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C(F)(F)F)c1 1857652233 VKCVXKUWRPWKSI-UHFFFAOYSA-N 529.308 7.248 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OCO)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@@H]1O3)C2 2356299899 IMSGNEUIPDTTAV-JKSCUZACSA-N 928.186 8.674 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@@H](CC)C1)C3 2356363546 MWDKXEUZJMZTKP-ONYUUVLUSA-N 770.920 5.949 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)[C@@H]5CC[C@H](C[C@@]21C)[C@H]3[C@]45C 2356414229 RQBXKLUYEOOAMR-IZKKAAROSA-N 670.982 5.856 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]43 2356414485 XLLSOMQHTJKUJM-YHSWYINKSA-N 772.990 5.096 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@H](OO)C(CO)=C[C@]3(O)C(=O)C(C)=C[C@H]23)[C@@H]2C(C)(C)[C@]12OC(C)=O 2356635657 FQFQITFMDONOLF-GFCXQXKJSA-N 676.888 6.001 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](O)C[C@@]4(C#C[C@@H]3C=C12)C[C@H](c1ccccc1)CC[C@@H]4CO 2356816720 DEFLZRDLYHDVAS-HMVFRWSLSA-N 966.320 6.842 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=C5CN(C=C5N=C2)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)CC1 2356844643 NXNBSRDHXAWEPF-BYJXTMFGSA-N 829.101 7.147 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6c(CNCCCO)c(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O7)C4)N[C@@H](N)C=C5)C1)C2 2356871891 YMFQMRHYRPIRRH-JBOSNBODSA-N 973.271 7.954 50 1 KKGF O=C(CCCCCC(=O)N1C[C@@H](CCl)c2ccc([N+](=O)[O-])cc21)N1C[C@@H](CCl)c2ccc([N+](=O)[O-])cc21 1651276 ARBYAROFENWSID-IAGOWNOFSA-N 549.411 5.492 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4cccc(N=C=S)c4)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 28763460 JQKFCNUCPHRFHS-XZLGBSMGSA-N 561.707 5.829 50 1 KKGF CCCCCCCOc1c(C(=O)N/N=C/c2ccccc2)sc(C(=O)N/N=C/c2ccccc2)c1OCCCCCCC 49680168 NHUJYEXILHTGFZ-DKKRNIPZSA-N 604.817 7.974 50 1 KKGF CCCOc1c(C(=O)N/N=C(/C)c2ccc(Br)s2)sc(C(=O)N/N=C(/C)c2ccc(Br)s2)c1OCCC 49708468 VGQSHSYNDZLGMH-JEGUCOMDSA-N 690.505 7.282 50 1 KKGF C[C@@H](Cl)CC(=O)NC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 66066428 HFQMCPMALUEUGH-SHACYNPGSA-N 593.920 5.120 50 1 KKGF CC(=N/NC(=O)COc1ccc(Cl)cc1Cl)/C(=N\Nc1ccc(Cl)cc1)Sc1ccccc1 73197236 SGVSWAWMTBKEFN-XTXFLMMRSA-N 521.857 6.736 50 1 KKGF COc1cc(C(=O)Oc2c(Br)cc(Br)cc2/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)cc(OC)c1OC 82140824 RVOZNPVXIRMODT-FABQOPTDSA-N 698.364 5.843 50 1 KKGF COCCCc1c(O)cccc1C[C@@H]1CCC[C@@]2(CC#C[C@H]3/N=C(\N)N[C@H](C(C)C)CSSC[C@H]3[C@@H]3Cc4c5cc(c(c4O[C@H]3O)OCN2)CC#Cc2c(ccc(O)c2OC)CCC(=O)C[C@H](O)CC5)C1 150348335 OHGOZYSTOODSGE-JESUZUPNSA-N 1009.340 7.161 50 1 KKGF biogenic,in-vitro C1=Cc2nc1c(-c1ccccc1)c1ccc(s1)c(-c1ccccc1)c1nc(c(-c3ccc(OCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccc(s3)c2-c2ccccc2)C=C1 169615610 UCDKSZLPEMOYNX-UHFFFAOYSA-N 968.220 16.553 50 1 KKGF CCCCCCCCCC[C@]1(C)SC(=O)C(CCC)=C1OCCCCCCO[Si](C)(C)C(C)(C)C 195141763 XOGYEYYQHMAYSP-PMERELPUSA-N 526.944 10.202 50 1 KKGF CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@H](CC[C@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]4CC[C@]32C)C1=O 253640074 UYLUNZVIASNMRS-LXFZDLOFSA-N 539.109 5.409 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3ccc(-c4ccc(F)cc4)s3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473118762 LLLWGPIRYZOULV-JFNFAMDOSA-N 512.643 6.520 50 1 KKGF N#Cc1cccnc1NCc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587230737 MCGMEAYVVLIIJI-UHFFFAOYSA-N 530.320 7.529 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 587324308 XTEAGCKKMFLIJL-NYEJTYJQSA-N 501.348 5.586 50 1 KKGF O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537126 AVFIJBCSCXUHCB-BHBYDHKZSA-N 559.412 5.930 50 1 KKGF C=CCc1cccc(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)c1OC 653810870 HULAFCQAQALZKB-HZQMBONKSA-N 641.744 7.322 50 1 KKGF N#CSC[C@]1(c2ccc(Cl)cc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962567451 GWXRBPZDGRHOBV-PPTMTGTBSA-N 582.081 6.453 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2[C@@]2(c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 962638219 KTGJWUNUHLAUAY-NLTMOOGVSA-N 716.999 7.766 50 1 KKGF COc1ccc2c(c1OC)[C@@H](c1c(C)nn(CCCCl)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680226 SQAJZPBBCRODCR-XMMPIXPASA-N 535.994 5.953 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CBr)c1c(F)cccc1C(F)(F)F 963061681 BWPHLDGMIBNDCZ-CUVVAGTFSA-N 615.418 5.962 50 1 KKGF CC(=O)O[C@H]([C@@H](O)[C@@H]1c2ccccc2CCN1[C@@H](C#N)c1ccccc1)[C@H](OC(C)=O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 963209817 YALCIIIZZIDLRN-RJQNPCEJSA-N 720.939 5.012 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(CCN2C(=O)c3ccccc3C2=O)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947386 NIHXPTVSVFEROW-CTCLYDJPSA-N 755.757 5.100 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1cccc(Cl)c1)c1ccccc12 1772612062 KCSPYOFLBIEJIO-BHVANESWSA-N 633.071 6.089 50 1 KKGF O=C(N/N=C/c1c(-c2cc3ccc(Br)cc3oc2=O)[nH]c2ccccc12)c1ccc(Cl)cc1 1772636758 ZTOIYGQSNDPONB-XODNFHPESA-N 520.770 6.121 50 1 KKGF C/C(=C\CC/C(C)=C/CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O)CC/C=C(\C)C(=O)OCCCCBr 1857630853 NYBIQQRRZCHMRY-BGYXUOEXSA-N 607.714 9.057 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C 2356372182 ZQGOYEJYAYJFTL-QZEZKREBSA-N 885.203 13.143 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)[C@@H]6CNC(=O)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356372201 ZZMPKZQKNVUEEV-HFNKZPRYSA-N 985.316 6.032 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCC1(O)CCCCC1)CC(=O)CC2 2356508943 VMLRIUPBSSBSJC-MMPACYGTSA-N 987.335 10.125 50 1 KKGF C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(C(=O)OO[C@@H]4C[C@@H]5C(C)(C)CCC[C@]5(C)c5cc(O)c(C(C)C)cc54)CCC[C@]3(C)[C@H]2CC1 2356672298 DWLHCWUIQVURCE-JULPXBKPSA-N 616.883 9.833 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@@]1(C)[C@H](Cc2cc(C(=O)O)ccc2O)C(=CI)CC[C@H]1Br 2356788069 BVVBECHWVBGMKA-IIIWKTMWSA-N 820.182 9.430 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4[C@@H]5CC[C@@]67Oc8cccc9c8C(=O)[C@@]8(CSSCNC%10=C%11CC[C@@H]2[C@@]1(C%11=C3CN%10)[C@H]4[C@@](O)([C@@H]6O)[C@H](O)[C@@]5(CO)O7)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]8C9=O 2356824003 GQZXFAJVCJLPEP-CGVPCVOASA-N 989.222 5.609 50 1 KKGF Cc1ccc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)c(F)c1F 8018975 GSKKXEPHEYRBIZ-FEVNIDIWSA-N 530.555 5.786 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5c([N+](=O)[O-])ccn5C)c5ccccc5c43)[nH]c2c(OC)c1OC 27643750 MNTGNYPKWOYDIS-FQEVSTJZSA-N 648.072 6.325 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 43569658 RQMMAKNVCFTEBS-CDKZSPQJSA-N 562.879 10.173 50 1 KKGF O=C1c2ccccc2C(=O)c2c(NCCN[P@@]34=NP(Cl)(Cl)=N[P@](Cl)(=N3)OCCOCCOCCOCCO4)cccc21 49937574 COBFEIQVHLRLQY-NCRNUEESSA-N 698.805 7.129 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@@H]1N[C@@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@@H](CC[C@H](C(C)=O)N1)C[C@@H]3CO)CC(=O)CC2 150347630 HJMFNUVCQMXWNB-YRUSLCHWSA-N 955.249 8.687 50 1 KKGF biogenic,in-vitro Cc1cc(Nc2ccc(F)cc2)c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2n1 169352617 FETXRTIOKHCVNM-UHFFFAOYSA-N 526.443 7.354 50 1 KKGF CCOC(=O)N1CCC2(CC1)OCC(C[C@H]1O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]53OO4)(C[C@H]1O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]53OO4)O2 169366479 JUMOXNGZHKTHSC-PPCVXRFRSA-N 775.977 7.002 50 1 KKGF CC[C@@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 299819683 BDIQBBZMHANHTF-JWIGPWBQSA-N 556.615 5.814 50 1 KKGF CN(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1-c1nc2ccc(C(=O)NN)cc2[nH]1 587198869 UFYLGCARCHPMRP-UHFFFAOYSA-N 503.562 5.219 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)[C@@H]1c1ccc(F)cc1 587330180 FXQOMLJGPGTXGM-JLCFBVMHSA-N 517.219 5.876 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587369402 GZMXIRIYSINFDE-GSBZAIBZSA-N 580.077 5.766 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@H]1COc2ccccc2O1 587544917 PPQGKPTXOHUNBI-AVSRNPDQSA-N 531.992 5.746 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 587672170 DKCIQJXFIRTBFG-SPNSOSTLSA-N 579.392 7.223 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687031 YMWODVZQQHXLII-YFBXQHAESA-N 511.863 5.898 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)[C@@H](C)Cl)cc12 587688958 OMDPONXEUFKUBR-DFMVQKSTSA-N 562.266 6.178 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(Br)c2Cl)N1 587721685 QDGVWQDXMUWDCH-RBHXEPJQSA-N 544.459 6.316 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587851020 UHFXVQKUAYCCRB-IOKNLURESA-N 788.867 11.177 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cccc(CBr)c1Br 587875016 MMDWFCPOYGOEFP-UHFFFAOYSA-N 504.049 5.556 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(SSc2ccc(Br)cn2)nc1 587896959 RYRVGKUWWDKCFB-UHFFFAOYSA-N 539.307 6.056 50 1 KKGF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587926958 MHWXZTLCSLGSCO-LBPRGKRZSA-N 501.315 7.542 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](c3ccccc3)(c3cccc(CBr)c3)N12 962666006 LYPTVCHMUIIREP-WUFINQPMSA-N 501.424 5.520 50 1 KKGF COc1cc2c(cc1OC)[C@H](c1ccc(OCCCBr)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962699413 HRJJHXXRLQMFKY-SANMLTNESA-N 578.425 6.674 50 1 KKGF Cc1ccc([C@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 963099784 SRPYJQSXBUEEDO-YBZKQSBQSA-N 616.599 8.245 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(CCCC[C@H]2CNCCBr)N1 963158795 NVCLOAATZVZHPL-KIFRIVICSA-N 653.665 6.337 50 1 KKGF CC[C@@H](Br)[C@]1(c2ccccc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963182825 CXWOCOOUBXHUPH-UMZKNKDHSA-N 586.482 6.957 50 1 KKGF Cc1ccc(S(=O)(=O)n2ccc([C@@]3(CCl)c4ccccc4CCN3[C@@H](C#N)c3ccccc3)c2)cc1 963183068 ALBLULVEIOXWLZ-VMPREFPWSA-N 516.066 5.639 50 1 KKGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 1772646673 GKEXFTYZBKRSDO-BHGWPJFGSA-N 504.424 6.091 50 1 KKGF CCCCC1(CCCC)C[C@@H](COCc2cn(CCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nn2)[C@](C)(OC)OO1 1857617883 INCCUFSBBDEYND-MLZZNZMKSA-N 658.844 7.629 50 1 KKGF Cc1ccc([C@H]2C(C#N)=C(N)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=C2[S@@](=O)c2ccc(C)cc2)cc1 1857640400 GZLPRKAETMRHFU-YMUVDJRFSA-N 562.535 7.325 50 1 KKGF NCC[C@@H]1CC[C@H](CC=CCCC2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356310695 CWIGBLWUGFSPLI-YXQHTVODSA-N 652.023 9.625 50 1 KKGF CCCCCCCCCCCCCCCCOO[C@@H]1C(C)=C[C@@]23C[C@H](C)C[C@@H]4[C@H]([C@@H](C=C(CO)[C@@H](O)[C@]12O)C3=O)C4(C)C 2356353561 QOKNELXJVFYQBT-WFWMIHPXSA-N 602.897 7.643 50 1 KKGF CCCCC[C@@H]1[C@H]2CCNC(=N)NCSSCCCCCC[C@@H](O)C[C@H](OC(C)=O)CCc3cc(c(O)c(OC)c3)CN1C(=O)C2 2356353901 DGWUCJMCSIOUDO-ZJRZZCDQSA-N 680.978 6.121 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356356435 BGRQVEMXMUXFCH-WQKSKMOKSA-N 983.303 9.468 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C[C@H]4SSC5(CCCCC5)[C@@H](CC[C@H](C)CCC[C@H](O)[C@@]4(O1)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@H]4[C@@]3(O)[C@@H]1O)NCCO2 2356356680 CJTHENOBPRIXHS-MDIBSGMWSA-N 886.139 5.105 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@]1(C)CC[C@@H](C(C)(C)O)O1 2356405943 IXKSFJQVWRDNPC-CBXPQFFISA-N 647.688 5.754 50 1 KKGF COC(=O)CCCC#C[C@@H](Br)[C@@H](O)CCCCC=C(Br)C=CBr 2356497852 AYDCADNHQBXBAP-CVEARBPZSA-N 515.080 5.205 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@H](CCc1ccccc1)CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@H]1[C@@H](CO4)C3)CC[C@@H](O)CC(=O)CC2 2356605982 YDNBBZWIYBSGKW-HSGIPQKXSA-N 851.148 6.598 50 1 KKGF COc1cc(Cc2ccc(C(C=O)=C3NCCc4cc(OC)c(OC)cc43)c(OC)c2OC)c(C[C@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1OC 2356646801 PMXIOUCPVGLKFT-UMSFTDKQSA-N 768.904 6.339 50 1 KKGF CN[C@@H]1CSSC[C@H]2c3cc(O)ccc3[C@@]34[C@H](CC[C@@]35[C@H](O)[C@H]1C[C@@H]1[C@@H]3C=C[C@H](O)[C@]6(O)O[C@H](C(=O)Oc7c(CO)[nH]c8ccc9cc%10ccccc%10cc9c78)[C@H](O[C@H]15)[C@]36O)C[C@@H]1CC[C@@H]2[C@@H]14 2356770016 UGPOFNVSBFMNGC-VRTBSFGCSA-N 945.169 6.168 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@]2(O1)O[C@H]([C@]1(C)CC[C@H](Br)C(C)(C)O1)CC[C@@]2(C)O 2356799492 UMYRCGIBKPWTMV-HLYBKBATSA-N 603.635 5.309 50 1 KKGF CCCCC[C@H](C[C@@H](CCc1cc(OC)c(O)c2c1CSSCNC1=CC(=CCN1)C2)OC(C)=O)OC(C)=O 2356858301 SYPINHVOHPBYIK-DNQXCXABSA-N 578.797 5.523 50 1 KKGF C=C(c1ccc(Oc2ccc(C(=C)[C@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 42876056 FYFWICJSTUAUII-LOYHVIPDSA-N 534.649 7.520 50 1 KKGF CCOC(=O)CC(=O)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72177739 DXIRAEJMBLVOOM-CYYJNZCTSA-N 537.329 5.526 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccc(F)cc4)C(=O)N3c3ccccc3)s2)cc1 103180332 IFXBZXRDXNQIOT-POXWXXNJSA-N 587.658 5.673 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4C4(CCCC4)c4ccnc(c4)NCSSC[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344209 UVXPFUPSHUDVFI-YYOMOBMSSA-N 684.968 9.565 50 1 KKGF biogenic,in-vitro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c1ccc(Br)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586981047 DTGLASYWNFHSKC-UHFFFAOYSA-N 564.212 8.837 50 1 KKGF CCS(=O)(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587189879 HLPIPSUXOAPZLZ-RNUAOJHQSA-N 653.886 6.388 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C(Br)Br)[C@H]1c1ccc(F)cc1 587319673 CNFUIPXKMYWLJD-SIKLNZKXSA-N 585.061 6.664 50 1 KKGF COc1cccc(-c2cc([C@@]3(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)C[C@H](CCl)[C@]6(C)[C@H]5CC[C@@]43C)nc3c2oc2ccccc23)c1 587359393 YBEMWTDCLLMADY-ADPWKSGKSA-N 684.660 9.754 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)CC2=O 587460932 LEFXIIYRYYHIIR-RUZDIDTESA-N 526.382 7.524 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587618402 OLQYOYCRRCQXMW-WRHCMTIOSA-N 616.179 7.959 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 587718709 NZGJRRASZAKLFX-QPFGOUBPSA-N 544.459 6.316 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962567350 GCBKAZUBOSDIAH-ROTAYESASA-N 659.405 6.676 50 1 KKGF C[C@]1([C@H](Cl)C(=O)Nc2ccccc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962568268 FEPRWCUFPGXGBZ-GOGFDQBKSA-N 582.056 5.803 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2ccccc2)([C@H](C)Cl)N1 963161229 KWYDLACZAORJDH-NYZFPEQISA-N 588.151 6.838 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(I)cc2)N1 963169149 HGRCDSQNDZAXPF-WBVHZDCISA-N 574.562 5.201 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCl)(c2ccc(NC(=O)C(C)C)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963352629 MRNUQPBFWRAFIL-WNOXWKSXSA-N 639.148 6.818 50 1 KKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 963613802 VZTJOSFOAMCBTK-WYRIXSBYSA-N 512.288 5.914 50 1 KKGF O=C(N/N=C/c1ccc2c(ccc[n+]2Cc2ccccc2)c1)c1ccc2ccc(C(=O)N/N=C/c3ccc4c(ccc[n+]4Cc4ccccc4)c3)nc2n1 1857609863 RUBKJNAUDAQNLZ-XHVGDULWSA-P 706.810 6.136 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356295964 YZIPDHDRTCJNLB-HBOBMWQPSA-N 727.949 7.144 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 2356498345 RZWFBNOFUAHADD-XYYRRHEWSA-N 582.854 6.591 50 1 KKGF COc1cc2c(cc1O)CSSC[C@@H]1Cc3cc(O)cc(OCO)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O 2356509160 FVGVJZAZRBVDCP-JMWMNHOVSA-N 568.669 5.417 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356554260 MYRMEXVYTNATGB-JBHGRQANSA-N 877.135 7.107 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356627115 WJGXWPDTAUTODB-OSUSSEPPSA-N 775.084 5.802 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356746991 HHYMAGIJRRFVLZ-IGAFFMLISA-N 803.141 7.566 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356776526 UPCALCNATWKCQI-AYCILDCSSA-N 958.389 8.109 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24CCCC[C@H]3[C@H]1OC4=O 2356821682 GDLASVWKZHCBLF-PXYMOREDSA-N 825.026 5.980 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356824275 GUFDWIHRICBYMW-BUNHYTGOSA-N 797.101 5.827 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(CC5=CCNC(N)=C5)CC(=O)N(Cc5cc(c6c(c5O)O[C@H]5CCC[C@@H]5CC6)C[C@H]1CC[C@H]3C2)C4 2356853781 RJBBKJUQRWXURG-ZHMZBUJGSA-N 959.377 8.866 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4[C@@H]5CC[C@@]67Oc8cccc9c8C(=O)[C@@]8(CSSCNC%10=CC(=C3CN%10)[C@@]1(C2)[C@H]4[C@@](O)([C@@H]6O)[C@H](O)[C@@]5(CO)O7)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]8C9=O 2356872824 YDNPETZFZKBCTJ-SDIPQLETSA-N 963.184 5.219 50 1 KKGF COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)N/N=C(/C)c3ccccc3Cl)n2)cc1 49807856 WMWWIWPKDYYTKK-ZMGVVAQMSA-N 506.393 6.672 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SS[C@H]5CCC[C@H](CC[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)C5)c(O)c(OC)c1O 85567662 MASSNJHOOAPKHV-BBBNWKLNSA-N 738.921 6.661 50 1 KKGF biogenic,in-vitro COCC/C(SC(=O)Oc1ccc([N+](=O)[O-])cc1)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)Oc1ccc([N+](=O)[O-])cc1 95539511 LZSXTKKYCGTCAD-ZNUUIMKISA-N 847.022 10.021 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CSCCSC[C@@H]3C(=O)O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253646444 PAJLLRUDJBTVAE-SWEUGCGKSA-N 654.844 5.230 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299818619 YCOIJPSIDUQDNN-LYAKFQGFSA-N 812.448 5.694 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc2c1 587047963 CPUKTFNECROXIF-DTWKUNHWSA-N 508.137 8.561 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053846 AKETXDQWPRNBIZ-HKWRFOASSA-N 507.424 8.648 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322273 GVFSCZNNWBWCLR-NQNCGZLKSA-N 541.962 5.944 50 1 KKGF Cc1cc(C)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C(=O)CCl 587326004 JDMJTKIXAIKPLY-BDYUSTAISA-N 501.381 6.371 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330006 ZMQXZWNQRSIBQA-SOMQGLGNSA-N 749.659 7.943 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 587335881 RTEAXYHFBRDLSE-UNMCSNQZSA-N 524.155 6.082 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@H](Cl)C(=O)c2ccc(Br)cc2)N1 587680560 OWFNAALTGBBFNV-DHTHFVMWSA-N 630.577 7.381 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 587683600 UYNIHJCGMTZFEZ-JCQPUDPBSA-N 540.702 6.775 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 587685758 RPMJTXYEOAUFRQ-SJODRWRQSA-N 511.863 5.693 50 1 KKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)N[C@@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587688673 MZNLBTMZYOWORG-AAIKVBOUSA-N 511.866 7.390 50 1 KKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)NC4(CC4)Cc4ccc(Br)cc43)c[nH]c12 961314850 AXUCMVPVXHDQLZ-IXCJQBJRSA-N 505.887 7.395 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](c1c[nH]c3ccccc13)([C@@H](C)Br)N2C(=O)OC(C)(C)C 962707979 LUOYWKBTDZQAPL-XBJZADGRSA-N 557.460 5.985 50 1 KKGF C[C@@H](Cl)C(=O)NC[C@]1(c2ccccc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963190821 RNNNPFBGSSNTRW-HLGLNCELSA-N 585.056 5.527 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](c2cccc(Cl)c2)([C@@H](C)Br)N1C(C)=O 963317421 PZEJGORBHZCGQG-ADEAQCODSA-N 801.112 6.170 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc2c(cn1)CC[C@@H]1CCC[C@@]21C[C@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356291858 DSDKZMMBAILFQX-DARNOZEGSA-N 941.178 6.412 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356294358 TWUMIZGGIVWYSZ-HYSAGDLFSA-N 851.193 7.390 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@@H](O)[C@H]64)[C@]12O 2356359633 PBKGCUFSKABYCW-ZIQRELSHSA-N 913.388 11.237 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356363108 HDHDVRNHSWJXFO-ODXMNESASA-N 860.244 6.969 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@@]13CC[C@@H](C[C@@H]1O)[C@@H](CC(=O)CC2)O[C@H]1N[C@H](CCCO)[C@@H](CSSC3)C[C@H](CCO)c2cc(NCC(C)=O)c(CO)cc21 2356370899 DZIDHAUNYUWZSY-JNUGGKMTSA-N 993.345 8.802 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356386349 FQRBGDPTIPPRPR-IZCBFIKNSA-N 729.062 6.286 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356588757 FXCRSCRJPGCRJB-MHPFDENESA-N 955.345 9.432 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356639548 UYQCRDHVFRXUDK-DCQNFHFPSA-N 699.895 6.507 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H]1O 2356692809 LOIXDLJXZACZEY-MFHABXFPSA-N 765.643 11.315 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@](C)(O)[C@H]2CCN(CCCOC)[C@H](CC)C2)O3)O1 2356695625 OQAQBBFCWWMJQA-FINKNRBPSA-N 869.065 6.871 50 1 KKGF CCCOc1c2c(cc3c1C(=C1CCC(=O)[C@@H](c4ccc5[nH]ccc5c4)C1)C(C=O)=C(C(=O)OCC)O3)O[C@@H](C(C)(C)O)C2 2356770032 UUIFDDHAGRNYFG-KPURRNSFSA-N 599.680 5.730 50 1 KKGF C=C1[C@@H](CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@@]32C)C(C)(C)[C@H]2CC[C@](C)(O)[C@@H]2C[C@H]1OO 2356800262 PWINAHBZPRMJKO-JKYRBWIQSA-N 508.740 5.490 50 1 KKGF CCCCCCCC[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](SC(=O)Oc5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C 2356843245 DFUXHMHWOWANRY-XHCRWNFKSA-N 567.836 10.525 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@]1(CN3C=CNC3)CCNc3ncc2cc31 2356874643 YXPGSBJRZKZRBP-JVNPQAKWSA-N 618.825 5.954 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@@]1(C)CC2 34109538 WPTTVJLTNAWYAO-QQPSITJBSA-N 505.699 6.379 50 1 KKGF C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 44305331 VBAAFVGBLHUYPO-MEKGRNQZSA-N 578.702 7.186 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)c1nc(CCl)nc(O)c1[C@@H]2c1ccc(Cl)cc1 64564878 PMBQKRQADKAFAL-OAQYLSRUSA-N 559.475 5.149 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O 85593841 DFPOCLDDVJMSFK-UOMBKMPVSA-O 822.990 5.148 50 1 KKGF biogenic,in-vitro CCO[P@](=O)(F)CCOCCOCCOCCOC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1 96300915 VEXCTDMHUYFPDR-XKJQNMSGSA-O 829.880 5.876 50 1 KKGF N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96907827 VTJXVSPMJGLTTL-LJAQVGFWSA-N 612.011 7.876 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]34 150345870 FENRYQKTHDWIIE-ADNZDOQUSA-N 899.145 5.569 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCN[C@@H]3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4Cl)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312599 RUHZVVGGQUVOMS-MPWULEFTSA-N 690.209 5.610 50 1 KKGF O=C(Nc1ccn([C@H]2C[C@@H](I)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1 195464368 OLTSJGCPXISYSI-ANJBIJILSA-N 683.546 6.595 50 1 KKGF CCNC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 254145231 LFYVETSPEPPKAU-FHUKMAFKSA-N 661.877 6.794 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5[C@]1(O)OO[C@]41C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C 255261743 QWCGALYCJXOWTA-JENXQTTPSA-N 903.218 13.000 50 1 KKGF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587055661 JNCJMERFAQRJSH-ZHZULCJRSA-N 592.508 7.151 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C\c3ccccc3)[nH]c21 587188003 NJHYMERFGQJTFW-QQTULTPQSA-N 609.730 7.887 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341336 WYQUWANZOAJLSA-PSOUNHDESA-N 753.235 6.720 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587422332 CZZQEUZFKQLWFI-SVQPESRPSA-N 639.160 6.327 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 587545533 RMCPMNNNSUUGFX-LITSAYRRSA-N 522.428 6.803 50 1 KKGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587696376 UCMNCNFZLZDWFF-GKTLAGOSSA-N 669.459 6.499 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 587711248 JAFFJJQYVDVDJF-XLFHBGCDSA-N 515.570 6.433 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587712345 OYXYOOJMAONIKF-MYODQAERSA-N 564.248 7.685 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)c(F)c2)N1 587725293 OURXFTHCHYXRSH-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(I)I)(C(F)(F)F)N1 587740554 YHWXYPDAVAKQOQ-DYEAUMGKSA-N 577.923 5.076 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1cccc([N+](=O)[O-])c1Br 962374387 PKKIYPKEHPOFBZ-FQEVSTJZSA-N 525.266 5.454 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CCCCCCCl)(c2ccc(F)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962564831 BLWYRSAYURVPHQ-KUFVUHJUSA-N 631.119 8.053 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCCCl)c1ccc(C2OCCO2)s1 962992820 MJRFZWUXUXYZHL-SSEXGKCCSA-N 604.552 6.384 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(C)cc2)C2=C(CC(C)(C)C[C@]23c2cc(O)ccc2C[C@@H](C(=O)O)N3C(=O)[C@@H](N)Cc2ccccc2)N1 963663499 AQPPRNYSHYFWAJ-XIEORRGASA-N 616.762 5.563 50 1 KKGF COc1cc2c(cc1OC)[C@@](C)(c1cc(Cl)cc(S(F)(F)(F)(F)F)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795577 JJBOGZRWUWXMIP-MUUNZHRXSA-N 615.020 8.027 50 1 KKGF CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1)OC(=O)N(CCCl)CCCl 1857533674 PHMVJSWULBLUSV-QYGHOAASSA-N 835.139 14.872 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857616958 SAUNMBLRHUSTMA-PZRMEFGGSA-N 650.466 6.421 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCCO)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356354098 VWUYDVNJXDDWSS-ACGCNLSQSA-N 902.226 6.527 50 1 KKGF COCCC[C@@H]1CCC2(CCCC2)C[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC4 2356475804 QCXYAINKZKXOLG-WPKDZGLESA-N 957.313 7.441 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@](O)(CO)C[C@]35C 2356594141 KCGPPBJFQSOPTL-OBQOULOHSA-N 908.233 5.746 50 1 KKGF C[C@H]1CSSC[C@H]2C[C@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)[C@H]1C[C@@]3(CC[C@]4(CCC5(CCCC5)C4)C3)C[C@@]3(C=CC[C@@H](C)C3)[C@@H]1C2 2356755826 WWLDPNJTPFHBHX-MUGBLQCHSA-N 724.177 12.325 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](CN2C=CNC2)(SSC1)[C@@H](Cc1ccccc1)CN3 2356815319 CPWRNIVRNQVOND-PQIWONNFSA-N 684.928 6.943 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356847038 OSZLWMHCXLITFG-WABHNEJRSA-N 827.171 6.887 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4C=CN=C4C3)[nH]c(=N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O 2356853955 RLAZISXZIXSAQW-UOMBKMPVSA-N 823.998 5.197 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356871245 XYZDWBGJOIUQCG-ZTRMQXDHSA-N 852.132 8.017 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1 26576677 NFDNOGJHVSTSMJ-IZGCPZNMSA-N 730.806 5.723 50 1 KKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1ccc(C(F)(F)F)cc1 29126238 ZRWTUNRDUBYBQU-XKJRVUDJSA-N 508.880 5.425 50 1 KKGF C=C(c1ccc(Oc2ccc(C(=C)[C@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 43199632 YWEBMJFHZLCHKQ-VSGBNLITSA-N 506.595 6.740 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 85594571 LVZOVWPTMQMEMN-VNAOQNRZSA-N 815.071 6.394 50 1 KKGF biogenic,in-vitro CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@@H](C)CCC(=O)NC)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 150532494 GJBAPQBREOYJGS-ZDPFTKDRSA-N 661.877 6.794 50 1 KKGF COc1ccc2nccc([C@@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4CC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)c2c1 169355471 MBAQHIKTOFDTQI-SFRDVKIMSA-N 622.759 5.129 50 1 KKGF COc1ccc(Nc2nc(NCCN(CCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nc(N3CCOCC3)n2)cc1 299847372 OOJWSNWSBQUFCM-IDVADQQISA-N 966.187 6.624 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058534 ZSMQNENFHOVMSD-VGOFMYFVSA-N 612.249 9.761 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccc(F)cc1 587323730 SQGSIGHZIZAIDF-UNMCSNQZSA-N 551.162 5.851 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1cn(-c2cccc(C(F)(F)F)c2)nn1 587547002 KPZDOGNJVFXEQC-NZQKXSOJSA-N 501.848 5.088 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)[C@H](Br)[C@H](Br)c1ccc(F)cc1 587573083 VKJCPDCAJWUPMG-COHKGRJRSA-N 616.252 7.427 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587671873 VLEWYWXIIPXCHP-PLZPTFKGSA-N 545.290 6.629 50 1 KKGF O=c1c2ccccc2c(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1-c1ccc2ccccc2c1 653845107 PXURBLKZZQMOHM-UHFFFAOYSA-N 681.796 9.359 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(Cc1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676570 LADFSDPUWKIHBR-AREMUKBSSA-N 503.948 6.098 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1cc(C)n(CCC(C)C)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682380 ZWRQJYCEATZXJR-SSEXGKCCSA-N 577.087 7.368 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)[C@H]1CC=C[C@@]21N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962761189 GZKOHIFTGWLWPU-OTSOFSKASA-N 681.828 6.931 50 1 KKGF C[C@H](Br)[C@@]1(C2CCC2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963184281 FQAFNVDWGLSLJR-GOXZMRQGSA-N 550.449 6.319 50 1 KKGF C[C@@]1([C@H](Br)Cc2cccc(Cl)c2F)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963583931 RSVHKUCQOFABLK-IRPSRAIASA-N 648.882 7.372 50 1 KKGF COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857541452 QYAVRESTXSNGHI-BLKFUPHISA-N 689.894 5.933 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCC[C@H]4C(=O)O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 1911585847 VFLZQZBJXDIHSH-UTQDPOSDSA-N 899.084 8.253 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSSCNc6cc(ccn6)[C@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356338529 ZSYRVTXKKPIVGB-WFIVAVJOSA-N 685.868 6.592 50 1 KKGF CO[C@H]1[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 2356347496 IKOVCQNLJNHSBD-KLHBGFEVSA-N 555.098 6.116 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356359083 CSCFJGDLHRKYND-WVBGJZDYSA-N 847.147 5.017 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CC[C@H](CCc4ccccc4)C[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356429746 HGCHFARSIULMOC-VVDQVQQJSA-N 968.295 9.788 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@@H]2O)O3)[C@H]2CCC[C@@H](C2)SS5)c1O 2356441176 ILAJELOTGQYLOJ-UUXGZVAJSA-N 821.067 8.467 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@@]54C)[C@]21O 2356554955 CWXNADRPYONZMS-AAUGNOIKSA-N 869.291 9.677 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@]14C=C[C@H]5c6c(ccc(c61)[C@H](N)NC4)[C@H](O)C#C[C@@H]([C@@H](O3)n1cc3[nH]cc5c3c1)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O 2356582831 YKQLYNPTLYSHIR-ISQYVCISSA-N 955.256 8.860 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H]1OC(=N)O 2356663663 PXEFELGJKKNAPC-IYIVVUQRSA-N 774.223 11.267 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](C5)c3cc(O)ccc3-4)[C@H](C)CCSS2)c(O)c(OC)c1O 2356742961 ONWXQAXZVDMDPV-KVSYIKJRSA-N 652.831 7.304 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356815338 CQBOOEZNNUXWBL-WHXKWYDPSA-N 987.431 9.790 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C2=CCNC(=C2)NCSSC[C@@]23C(=O)c4c(cccc4C(=O)[C@@H]2C=C(Cc2cccc(CO)c2)C=C3O)O[C@H]2O[C@@]3(CO)CC[C@@H]1[C@@](O)([C@@H]2O)[C@@H]3O 2356815965 CXEZPBDYIIMGEH-CPGWODIISA-N 953.189 5.753 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2(N3C=CNC3)CCCC2)SSC1 2356818060 DQCKVDVFZAWWEK-WKRVVKTRSA-N 622.857 6.400 50 1 KKGF COc1cc(Nc2ncnc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)cc(OC)c1OC 72173115 BUGITAATQVJOTR-UHFFFAOYSA-N 585.492 6.327 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 72177033 SQBYPBWURPJVOG-UHFFFAOYSA-N 574.310 7.064 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCCNCCNc4ccnc5cc(Cl)ccc45)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 95543023 IJPCAYMXRVHCDP-DHEAOOPDSA-N 810.473 9.315 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 150345898 PYXYKXYKRWCPFH-VFFWNCHXSA-N 859.124 6.003 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)C/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC3)CCC[C@@H](CC1)[C@H](O)C2 150348610 PDZPNXJERVDUOH-DKDBXBHCSA-N 995.450 11.665 50 1 KKGF biogenic,in-vitro CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4cccc(CCO)c34)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 150349785 WHUAZQAVODGHKH-WCPDJUNKSA-N 961.236 7.733 50 1 KKGF biogenic,in-vitro CCN(CCCCC/C=N\c1cc(O)c(NCCCCCCNC(=O)CCCC[C@@H]2CCSS2)cc1O)Cc1ccccc1OC 169722280 DRWTVWGCVUJWCC-UKGGMGPOSA-N 673.002 8.694 50 1 KKGF CCN(CC/C=N\c1cc(O)c(NCCCNC(=O)CCCC[C@H]2CCSS2)cc1O)Cc1ccccc1OC 169722287 QJUBXWIUQYXRTP-IAFGSDHDSA-N 588.840 6.353 50 1 KKGF CC(C)(O)[C@H]1CC[C@](C)([C@@H](O)CC[C@@](C)(O)[C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 238747173 IFHPYSVGNHWKDY-SPUCFZFBSA-N 605.651 5.184 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cc(Br)c4c(c3)OCCO4)nc2c1 587000694 JVCALWINZVHJHB-OWOJBTEDSA-N 562.152 7.687 50 1 KKGF O=C(COc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccccc1F 587153967 GVNQRYOYCAQZMX-UHFFFAOYSA-N 566.321 7.806 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)ccc(Br)c2F)[C@H]1c1ccc(F)cc1 587335324 QMVBGZSIZQWDFR-PGRDOPGGSA-N 558.600 6.736 50 1 KKGF O=C1c2ccccc2C(=O)N1CCc1c(CBr)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626309 RSZVSKDOEVZSFN-UHFFFAOYSA-N 519.239 5.939 50 1 KKGF COC(=O)c1cc(O)cc(OC)c1Oc1cc(C)cc(O)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587787535 LDNXAZCJRJOOSJ-UHFFFAOYSA-N 625.366 7.957 50 1 KKGF CN1/C(=C/C=C/C=C/C2=[N+](CCCCCC(=O)NCCOc3nc(-c4ccc(Cl)c(Cl)c4)n(-c4ccc(NC(=O)CCl)cc4)n3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 653873334 CDOYBTVMCABOOG-UHFFFAOYSA-O 906.379 10.974 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C)c1oc2ccccc2c1NC(=O)[C@@H](C)Cl 962987162 LYDLOMVRELITND-AYLZSAKASA-N 609.506 6.590 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]12c1ccc(OC)cc1C[C@@H]2Br 962991454 IOWLEHZOXFLAJD-YTMVLYRLSA-N 584.894 5.587 50 1 KKGF N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963096881 ODLCCSSIXAOFOK-YCKHOXFFSA-N 840.469 5.733 50 1 KKGF O=C(CCl)NCc1cc([C@]2(c3ccccc3)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O 963097909 NXQFMPLSZQXMCN-ZCEDJPTPSA-N 693.243 7.843 50 1 KKGF CC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@]3(NCCc4c(Cl)cc(Cl)cc43)[C@H]2O1 963110585 NDKWNICRVTXUQO-VGHCEUJDSA-N 598.643 5.787 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCl)(c2ccccc2C(F)(F)F)N1 963192036 XVYKKSLOUSEKGM-UYAOXDASSA-N 514.293 6.629 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3ccccc3C#N)nc(Cl)nc21 963929612 VUBCLKRSEWOJME-VWLOTQADSA-N 537.849 5.339 50 1 KKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@H]2c2ccc(C(F)(F)F)cc2)C1=O 1857771928 IENYIQXNQZNWNE-OAQYLSRUSA-N 516.560 6.652 50 1 KKGF CC[C@H](Cl)CC=C[C@H](O)[C@@H]1O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@H](OC)c2nc(C(C)=O)cs2)[C@@H]1C 2356323241 AUXCARRWWRCVMM-OLHBEXKXSA-N 619.435 5.715 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@@H]3CO)[C@H]1[C@H](O)[C@H]2O5 2356353054 HFFJRTINSKCJKG-DFKRPMDZSA-N 774.998 7.737 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@@H]2NC(=N)N[C@@H]1CCCc2ccc3cocc3c2C1 2356356698 CRLGRWOARSOLAO-XKZCNTJASA-N 887.314 9.053 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356357417 IRQZUYBWVYCTAW-PUOXCXBRSA-N 918.324 7.111 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@H]3CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C3)[C@@]1(C=CC[C@H](C)C1)C2 2356359307 HVWDDDJUTXWBOD-LBZPMEOSSA-N 659.062 9.429 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(C)O)C1(CC=C(C)C)CCCC1 2356369714 YWMBPTVJKPWBEE-LMQMXRRPSA-N 564.807 6.162 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356373686 GFDLEAMWTLXELE-JIWOQLLASA-N 967.396 11.439 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](C6(c7ccccc7)CCCCC6)CC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356618514 WWRBRFBOLPCQMI-TWMNMNLCSA-N 991.454 12.390 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H]([C@]2(N3C=CNC3)CCC3(CCCC3)C2)SSC1 2356838480 MAHHRVBQLBLBSG-UWSBWVJASA-N 702.987 8.275 50 1 KKGF COc1ccc(CNC(=O)C2(C[C@H]3CC(c4ccccc4)=NO3)CCN(C(=O)CCCCCBr)CC2)cc1 59796370 UKUUVMBRKLYCIN-AREMUKBSSA-N 584.555 5.459 50 3 KKGF O=C(N/N=C/[C@@H]1NN(c2ccc(F)cc2)[C@H]2[C@H](Cc3cccc4ccccc34)CCC[C@H]21)c1ccccc1 26575353 IWRDBMLARBRACV-KKGAZCFMSA-N 506.625 6.116 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNCCc1cccc(O)c1)CC(=O)CC2 85597434 MPGADWNIFAWGJS-SSEXGKCCSA-N 647.859 7.764 50 1 KKGF biogenic,in-vitro C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cc3c2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 95615825 DUVUDEKMYCCHHY-IASGDIAQSA-N 780.958 11.450 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccccc5F)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916443 NHAGEHMGXQOEHN-ABFUGQQCSA-N 502.630 6.019 50 1 KKGF CCOC(=O)O[C@H](OC(=O)CNC(=O)[C@@H](CSSC[C@@H](N)CCSC)Cc1ccccc1)C1CCCCC1 118659085 RFXOKQQWFSXIRB-UMFSSWHCSA-N 586.842 5.046 50 1 KKGF BrCc1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1-c1c(CBr)cc(OCc2ccccc2)c(OCc2ccccc2)c1OCc1ccccc1 150571104 PHJIZKLTAGXYCV-UHFFFAOYSA-N 976.802 14.617 50 1 KKGF C/C1=C\[C@H](OC(=O)c2ccccc2)[C@@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@]2(C)O[C@@H]2CC1 161400246 XIMCRDWINCBROY-VMOSVMNXSA-N 681.782 7.178 50 1 KKGF Br[C@@H](COc1cccc2c[n+](Cc3ccccc3)ccc12)CN(Cc1ccccc1)Cc1ccccc1 169329861 JTZBBASBKLVWLG-WJOKGBTCSA-N 552.536 7.020 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 195167648 SBWFAIGFKMBQFX-BZKQWUEZSA-N 798.421 5.306 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191282 SJTBGBVEPWWLHE-MRUJLHLNSA-N 597.200 6.643 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191335 STWDECIDVOBNPC-BOVJWUCZSA-N 684.882 6.654 50 1 KKGF CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587413321 GULHJVGNPHYMHJ-HYDGNGQDSA-N 539.097 6.249 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 587537810 KNBABFMYSBUGRA-DLFZDVPBSA-N 584.422 6.477 50 1 KKGF O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538280 OQBPAPPRFFRSBL-LEAFIULHSA-N 609.816 6.193 50 1 KKGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1Br 587674653 YMNJUWBEWJBLML-MGNBDDOMSA-N 522.050 5.532 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 587677094 GLFCOSQAJWPHSH-JCQPUDPBSA-N 570.684 5.625 50 1 KKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962683566 ZFAWVTGMQOLAPF-QTQRRKOQSA-N 638.126 8.476 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@H](C(=O)C(F)(F)F)Cc2ccccc23)C1 962775314 ZMOBZEPUHFCKHK-MAUXKVQFSA-N 655.539 6.837 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CBr)c3ccc(Br)c(F)c3)c(O)c2C(=O)O1 962932046 CVEFNAREQOTERO-PMHBJYOWSA-N 681.736 5.839 50 1 KKGF CC(=O)O[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963020804 NTZNASLOJHXYTM-WIEVSHRFSA-N 775.488 7.080 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CBr)(c2ccnc(C(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963043841 VGONZJMJKKTWCT-DLFZDVPBSA-N 673.432 7.278 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CCl)c1c(-c2ccccc2Br)[nH]c2ccccc12 963070123 LGTHNHOJIUIRKQ-SBCJZHDBSA-N 679.011 7.559 50 1 KKGF Fc1cccc2c1[C@](CCCCCCCl)(c1ccccc1I)N1CCC[C@@H]1C2 963099468 HKRKURIUVILMLY-DVECYGJZSA-N 511.850 6.884 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1F 1772614693 IGNAEMHVAZCTCM-JOCHJYFZSA-N 516.413 5.810 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)CCCC3(CCCC3)C1)CC[C@H](O)CC(=O)CC2 2356366118 ALRMSWXQPBEGOC-AOPWEPPUSA-N 885.206 6.788 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356370948 UWGZOHRAFVCVDF-KDDZHKJXSA-N 831.148 5.349 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC2(CCCC2)C[C@H]2CN(CCCOC)CC[C@@H]21)C4 2356541461 DEONHPKFBGSZHQ-WUUUNNENSA-N 923.113 5.874 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@@]2(CCCC[C@H]2CSS[C@H]5O)C1=O 2356585511 RXDGZHMRTTUOSF-HOUJRFNRSA-N 894.250 7.487 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356635932 OSJYXBMTDGJQND-IVMAYECGSA-N 827.160 6.522 50 1 KKGF Cc1ccc([C@@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873709 QHSNDYSTFQPVCK-LOSJGSFVSA-N 641.378 6.429 50 1 KKGF C=C(c1ccc(OC)cc1)[C@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 44093539 LOXUGGFFDIDMLB-GNPDKENOSA-N 508.699 7.000 50 1 KKGF CCC[C@@H](CC(=O)NNC(=O)[C@@H](CCC)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O)C(=O)NO 49938085 NCOPAPDCXDBRNQ-ZKKLFSJWSA-N 679.859 5.014 50 1 KKGF CCOP(=O)(OCC)C(C)(C)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95598648 PRZFNERSXHXNAQ-UHFFFAOYSA-N 540.645 7.133 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)[C@H](c1cc2cc(NC(=O)c4cc5c(OC)c(OC)c(OC)cc5nn4)ccc2[nH]1)N3C=O 95611905 DUZQPPIBZFDTQF-SFNQZPIRSA-N 753.090 6.422 50 1 KKGF COc1cc(C(=O)OC[C@@H](O[Si](C)(C)C(C)(C)C)c2cc(OC)c(OC)c(OC)c2I)cc(OC)c1OC 195384879 SPZKXRZKGJASTJ-OAQYLSRUSA-N 662.590 6.263 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cccc(Nc4nc(-c5ccccn5)cs4)c3)nc2c1 587021079 IXONRAQQVLRJDE-UHFFFAOYSA-N 574.398 8.912 50 1 KKGF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587050195 VZWSROAWPAYLQW-CMDGGOBGSA-N 508.900 7.264 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OCc2ccccc2)c1 587538346 PGQFZPHXHSAETQ-LEAFIULHSA-N 517.375 6.223 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542064 FJOVCQIAJUXFOL-VAVYLYDRSA-N 511.917 5.019 50 1 KKGF CN(C(=O)NC(=O)c1ccccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 653907654 YLRDQGMIZSIWOA-WXMAUWIXSA-N 561.439 5.070 50 1 KKGF CC(C)Cn1c(N)c([C@@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O 963087360 ADJQYFMUVAAAEG-SCAVLVJOSA-N 663.218 5.571 50 1 KKGF O=C(c1ccc(Br)cc1)[C@H](Cl)[C@@]1(c2ccc(Br)cc2)NCCc2c(Cl)cc(Cl)cc21 963104172 HGTVXBBLYAZKCG-GOTSBHOMSA-N 588.554 7.398 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2ccc3cc(OC)ccc3c2)N1C(C)=O 963317451 QJOJLLTYAWMDAB-FOHSLPDOSA-N 832.726 6.290 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(c2cc(C)n(-c3ccc(C)c(C)c3)c2C)N1C(C)=O 963319012 XMDQEAVKHIFTPG-IAKNFJPBSA-N 829.372 6.997 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cl)[C@@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816980 IUZPGZBUCVDKSX-LXANVCGNSA-N 566.057 6.111 50 1 KKGF CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(OCCCCCBr)c(OCCCCCBr)c4)=C2OC1(C)C)C3=O 1857567700 RXAJIAFKNLXBTC-ZYLFMGOGSA-N 900.874 13.066 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2ccc(N(C)C)cc2)cc1 1857600767 SSKRCIAXDUUVEC-PNIVXLCQSA-N 618.734 6.138 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC)[C@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356308386 PUMLRJLEIVTIEX-HASRVKPTSA-N 632.717 5.416 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@]23C=C[C@@H]4SSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@@H](C[C@H]4C2)C3)C1 2356350854 KXDOYOLATPZWGK-ZKXRTERISA-N 559.885 8.732 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]3CCC[C@@H](C3)SS2)c1O 2356422424 BZHSFORLXUKRHU-ZPASYMGGSA-N 795.029 8.149 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CCC[C@@H]2[C@@H](CC)N(CCCOC)CC[C@H]21)C4 2356639246 IZOGQQHQDRWBRN-FWIAPRMRSA-N 897.075 5.483 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1 2356687548 SNZCABRUTZVTFC-TVBGQTIESA-N 689.846 9.742 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@@H]41 2356690363 USJQCCQHFDAPOV-LBDRKYIESA-N 974.388 7.399 50 1 KKGF CN[C@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC2([C@H](C)O)CCCC2)c(CO)c1 2356699557 BBHGZZVGKSNNDU-YSMHCIFLSA-N 775.046 8.785 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@@H]([C@](C)(O)C1CCCC1)C3 2356726634 ZXDFOXHSRBYEJH-SMHDPVDZSA-N 699.797 5.365 50 1 KKGF CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)NC(=NC)NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@@H](CC[C@H](CC)CC=O)C32CCCC2)C1 2356741175 RHRLCZYVSPXXLV-MZKIFONPSA-N 979.404 10.867 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSCCCCCC[C@@H](O)C1 2356757014 MWDAWRUNVFLIJY-RVNWAFKKSA-N 915.320 10.314 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@@H](CC4(c5ccccc5)CCCC4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@@H]5C[C@H](O)CC[C@]54C)[C@@H]3CC[C@H]21 2356853497 RGVQUBBKMWKJNM-SPAZPRIKSA-N 784.229 10.245 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356858785 TWNKIRNMDNJXKN-CQMVILHRSA-N 873.015 5.691 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)c1cc2ccccc2o1 5923942 DVVBTBQPDKMSFZ-LJQANCHMSA-N 564.985 7.211 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@H]5CNCCC#C[C@H](CC(C)C)[C@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 85595566 WMHXPBMRJVFXFN-VLWMDBCOSA-N 834.107 5.315 50 1 KKGF biogenic,in-vitro C[C@H](NC(=O)c1ccc(O[P@](=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95550069 KEOOLQDMCOPPKK-AEFZRGMJSA-N 750.229 7.696 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCCCCNc1c2c(nc3sc4c(c13)CCCC4)CCCC2 98084421 OTQGJOPBSNNRAF-IBGZPJMESA-N 517.830 7.076 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(CCCBr)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 103252474 SYOBAYCGHNHJJP-XXOXGGEOSA-N 510.516 5.799 50 1 KKGF COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(C)\C=C\CC(C)(C)OC 137065368 ZPYRTVUAMSRSOX-YHCBAUBSSA-N 610.923 11.367 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)NCCCNC(=O)CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3 150595328 IJDZMSMUWNVVGN-UHFFFAOYSA-N 714.897 6.287 50 1 KKGF CO[C@@H]1/C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C 169326727 PTYVCIVEJQEWFZ-RYLAOUDNSA-N 879.828 5.734 50 1 KKGF COC(=O)c1cc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2cc1OC 587189570 CZPTWUWZWCLAKC-SVTRLTSGSA-N 649.829 6.390 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)NC(=O)CC4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190778 RAVKINMTROWURY-OUAKFKBQSA-N 630.830 6.480 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccnc(N)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191258 WRFVEGJKYMKEBV-KURQEFGWSA-N 577.770 5.572 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191663 UGPCOEAVVPMWNK-ZKQHAUBSSA-N 766.877 9.005 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321112 IINOKNFBYPWQPI-SVJNFDNESA-N 541.413 6.521 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587369498 JOBMPYGUGBVXFS-BHYZAODMSA-N 625.118 5.453 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587371373 DETYQOFOOCIDSK-XDBKTFDUSA-N 620.142 7.596 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)CC(=O)c2cc(C)cc(N)c2O1 587413715 JBFCOAGTZPOVHJ-MHZLTWQESA-N 511.043 5.612 50 1 KKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587502629 AONFDGKSUKZYMX-SANMLTNESA-N 522.394 7.745 50 1 KKGF CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587541334 AZWGIFGJEHTQNG-YRNRESLTSA-N 665.610 7.754 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587686606 DDETUWUSBWZOMQ-WIDSHULWSA-N 532.837 5.874 50 1 KKGF COc1cccc(C(=O)[C@H](Cl)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587688903 OIQGRYSWXUNWSY-WIDSHULWSA-N 532.837 5.874 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 587719296 KYMBYTMNPQAURG-XYZCENFISA-N 515.114 5.799 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 587838670 DHEWOCKPWSEYBD-MWTRTKDXSA-N 574.354 5.326 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]12c1ccc(OC)cc1C[C@H]2Br 962991451 IOWLEHZOXFLAJD-XRKRLSELSA-N 584.894 5.587 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CCCCCl)(c2ccc(Cl)c(Cl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963227724 DTNVEGPQHWDOQX-YTWZBVJHSA-N 740.980 8.429 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CBr)(c2ccccc2Br)N1C(C)=O 963299985 CLDVZXUSRDEDCP-DTKZEWQESA-N 831.536 5.891 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](c2cccc(Cl)c2)([C@H](C)Cl)N1C(C)=O 963329818 UXUDLUYTQNSAJG-WAIHLJACSA-N 756.661 6.014 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2oc(C)nc2C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368553 RGCWRBADJPMKOK-IUDBTDONSA-N 617.496 5.984 50 1 KKGF CC1=C([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 963833871 YIQYRMDMVWYRMC-HSCBPZAQSA-N 641.227 7.624 50 1 KKGF O=C(Nc1cccc2c(OC(=O)C(Cl)Cl)c(/C=C/c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc(/N=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)c12)C(Cl)Cl 1772640901 GYIRCJYZBQTFBR-WBWXRKKPSA-N 911.680 9.392 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356301861 ZCJTYOZRTOZWOO-FXFAETOISA-N 985.415 10.121 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356341195 INMMJJDLRDZRDD-MBBIILEFSA-N 509.824 5.314 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356349840 OYSBCHXBOUIHCW-CZKKMXQESA-N 881.174 8.619 50 1 KKGF COc1cc([C@@H]2[C@@H](C(=O)O[Si](C)(C)C)[C@H](c3ccc(O[Si](C)(C)C)cc3)[C@H]2C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C 2356426462 ZTJDMUHDJBNXSQ-FXCIUYFGSA-N 647.078 7.992 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356552470 QZCDTCUBNVZXQB-CBMSDXPPSA-N 924.232 5.064 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356594149 KFFUVLKOQKEGOP-QHVARQRJSA-N 704.993 5.517 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)CC[C@@]12O)C[C@@]3(O)CCNC)CCC=C(C)C 2356753753 BBFLMUKBZQMGCW-DFMQNOMLSA-N 579.822 5.116 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H]3NCC[C@](Cn4ccnc4)(SSC1)C3=C2 2356814305 BZXJQLRBPBXODC-LMVIPRQDSA-N 620.841 5.760 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@H](O)CCCC1 2356817733 DMZFUBHAJJMCSD-AMQRFSOJSA-N 804.132 6.335 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)C2(CCCC2)SSC1 2356848030 PBWITEXPFLETLN-HMILPKGGSA-N 542.767 5.697 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(N)=O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCC(C)CC1)OO3 49778217 SFYMERLVGXDHSO-XTVCQHFOSA-N 633.823 6.143 50 1 KKGF COc1cc2cc(c1O)CN1C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O 85627367 PCRGTPLJNHBCSV-KRNGEPOQSA-N 821.123 6.411 50 1 KKGF biogenic,in-vitro CCN(CCCCCCNC1=CC(=O)C(NCCCNC(=O)CCCC[C@H]2CCSS2)=CC1=O)Cc1ccccc1OC 101284241 WUQZNYSVERYXKI-MHZLTWQESA-N 630.921 5.397 50 1 KKGF C[C@@H]1[C@@H](CC(C[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 169615550 CRSJHIRCVZDTHB-NQVCAJKQSA-N 832.066 7.556 50 1 KKGF Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 231374970 AQDXXJZJXRNEFH-UHFFFAOYSA-N 758.646 7.448 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299826445 ZZMUBGNZEPPZHL-CPTLLIHPSA-N 897.148 7.237 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)[nH]c2c1 587012579 UGETZKTWONWMKG-UHFFFAOYSA-N 527.971 9.255 50 1 KKGF COC(=O)C1=C(C)NC(C)=C(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]1c1cccc(Cl)c1Cl 587054783 IUZMKKONWDBJFI-LJQANCHMSA-N 554.368 8.092 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191108 OYONXKDHCNBYTN-GEMXLZMRSA-N 680.208 8.147 50 1 KKGF Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 587328396 UFWBFLJIRLYOFO-JDXGNMNLSA-N 504.001 7.049 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)[C@H]1c1ccc(F)cc1 587329128 KOEGWALVBBRTJS-UPVQGACJSA-N 517.866 5.624 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 587333399 VONFWWHHRAAISU-UGKGYDQZSA-N 529.255 6.218 50 1 KKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546854 KDYPBGOTXPURGG-OFVILXPXSA-N 529.561 6.729 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1 587674336 WFEPJEDQEIOHRA-GYCJOSAFSA-N 519.252 6.340 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587694691 QAJNVJPRECDXOX-SFYZSBTBSA-N 594.994 6.571 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3ccc(Br)cc3OCc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587940307 JHBNYTZWEICLQZ-HDAXWBLESA-N 626.544 7.111 50 1 KKGF Cc1ccccc1[C@]1(CCCCCCCl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962961338 WWIRRMFUMBGHHD-GENZNJCZSA-N 624.561 7.040 50 1 KKGF CC(=O)NCCc1ccc([C@]2([C@H](C)Cl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963041069 QIZGCUIXGBJHNB-WTMWLQAMSA-N 659.129 6.775 50 1 KKGF Fc1ccc([C@H](Br)[C@H](Br)[C@@]2(c3ccc(F)cc3)c3c(F)cccc3C[C@H]3CCCN32)cc1 963094282 CIUQZVIHJMUOHL-CBRSEMLDSA-N 565.271 7.268 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](C)([C@@H](C)Cl)N1 963160415 JFAUVMCLSVJNTN-KEFFAAFJSA-N 526.080 5.809 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCCCCCCl)(c2cccc(Br)c2)N1C(C)=O 963316504 LHABFKNYRAUWON-CXUZTKPISA-N 857.220 7.685 50 1 KKGF COc1ccc2c(c1OC)[C@@H](c1sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c1Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795287 CDWUZSUMTXYMLX-MHZLTWQESA-N 713.665 5.977 50 1 KKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832260 MNFHQWLNPRLTJB-SHQCIBLASA-N 527.865 6.907 50 1 KKGF COCCOc1ccc(N2C(=O)N(CC(=O)N/N=C/C=C/c3ccc(C)o3)C(C)(C)[C@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1 1772615283 LNAPBTNJWJQQDB-GKIBDTAGSA-N 639.109 5.352 50 1 KKGF CC(=O)O[C@H]1C=CC[C@@H](/C(C)=C/C=C/CC[C@H]2O[C@@H]2C[C@H](C)O[Si](C)(C)C(C)(C)C)OC(=O)CCCC[C@@]1(C)O 1857626778 LBPLCAWAEGPYRI-ZWKQSRGMSA-N 578.863 6.952 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356301312 UXOSVHCMTLOIOH-LJBJMILLSA-N 895.157 6.175 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c(CCCCC[C@H](Cl)CCCCCC)c(O)c1[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 2356352363 RVFXECPBKXNNPT-URRBPUPBSA-N 835.988 8.284 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356354227 HQWLZJXSSIRTNC-FUPSRAGRSA-N 769.124 7.514 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](C4)C[C@H]1CC[C@@H](SSCC[C@@H]1C)[C@@H]3[C@H](O)[C@@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2 2356357046 OMKAVNALZQESRL-AEKWSLKDSA-N 708.939 8.720 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356368576 MNDPPNUNOUVVQQ-YSSIHILFSA-N 964.396 8.971 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(CCC[C@@H]5CC(C)C)C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356470416 ZWYHMJGDPAWSGN-NMYZQNDQSA-N 781.043 6.256 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOCNC(=N)NC)C3)c2)N1 2356752877 AQTYFCNUFCNIEV-BUICCKHGSA-N 798.089 5.778 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@H](C)O)C2)Cc2cccc(c2)C1 2356774798 DPARXGBGNZNJEM-KHGXEGGISA-N 988.361 5.177 50 1 KKGF CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1ccccc1N=C=S 28380635 RVZDRCTYLWJARK-QHCPKHFHSA-N 568.570 6.957 50 1 KKGF COc1cc(N)cc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)c1 43130471 ZWGJYWGVBAFPDX-UHFFFAOYSA-N 527.496 6.661 50 1 KKGF COc1cccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cc4c(cc3n2)OCO4)c1 49756365 NOIHULXRMCJCLX-UHFFFAOYSA-N 553.446 6.567 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@]5(O)C2(CCCC2)[C@@](CO)(N=C(N)N)CSSC3)O1 85594350 ZHLWYAMGNIPKON-VERVDSLKSA-N 764.967 5.339 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)[C@@H](c1cc2cc(NC(=O)c4cc5c(OC)c(OC)c(OC)cc5cn4)ccc2[nH]1)N3C=O 95613729 GJXKLQXPMARFAM-ADSBAMQRSA-N 752.102 7.027 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3NC(=O)N(C(=O)Nc3ccccc3)c3ccccc3)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C)c1=O 195164132 INMPTHMXXLYSSR-FNYOKYOASA-N 842.133 6.554 50 1 KKGF CC1(C)O[C@H]2CC[C@@]3(C)O[C@@H]([C@](C)(O)CC[C@@H]4OC(C)(C)[C@H](Br)CC[C@]4(C)O)CC[C@@H]3O[C@]2(C)CC[C@@H]1Br 196000552 HQWJZHVIHPJUEI-AZRIJFCTSA-N 668.548 6.586 50 1 KKGF COc1c(OC)c2c(c(CCN(C)C)c1SC)SSc1c(OC)c(OC)c(SC)c(CCN(C)C)c1SS2 238738230 HRSVZIYLBQCRBT-UHFFFAOYSA-N 635.002 7.285 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O 253683264 FRNPSKYQQHGFSD-LUCPTXRDSA-N 589.213 6.860 50 1 KKGF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc(N=C=S)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 253851630 JMJGIYCCSJPVKZ-XFTNXAEASA-N 548.655 6.442 50 1 KKGF CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586919524 FVAHIKUMQGZQQS-JGCGQSQUSA-N 721.685 9.934 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057003 SWNRCXWVENLGTP-AUWJEWJLSA-N 565.096 7.866 50 1 KKGF Cc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2n1 587189583 DGMGTQWIDUTSEU-GABVIKBWSA-N 576.782 6.298 50 1 KKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br 587322782 OQXJWQISFWMCJE-GGAORHGYSA-N 536.191 5.952 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2)[C@@H]1c1ccc(F)cc1 587332990 URNNIYCBOBKEGP-IFMALSPDSA-N 513.256 6.339 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 587541859 DNOYOTKYAHYDLF-SHQCIBLASA-N 528.819 7.202 50 1 KKGF O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542086 FOFDGUCWYZLQKW-RYCFQHDISA-N 532.979 7.344 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609441 VVEODGLSOHWYFZ-AFPLUKJUSA-N 530.560 6.470 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 587669648 FQHRGUXNWSQHHV-XLFHBGCDSA-N 570.920 6.244 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 587687143 FYFRDRGMNUGVHG-WHEFHEQHSA-N 501.827 5.980 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 587718713 NZGJRRASZAKLFX-RBHXEPJQSA-N 544.459 6.316 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCC(CBr)=C(CBr)CBr 587875191 OXUAJYOHBSMODO-UHFFFAOYSA-N 560.939 5.527 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3c(Br)cccc3-c3cnn(C)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587935690 PUCIHOQLYFWGGZ-SREMPKAYSA-N 600.510 5.933 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962571686 NWTCHPNOKKQHFW-JHQFWZKUSA-N 703.198 8.148 50 1 KKGF CC1=C([C@]2(C)c3ccsc3CCN2Cc2cccnc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)O)N1 963001856 XXIBXIVSBASTDF-SQHAQQRYSA-N 518.664 5.224 50 1 KKGF CCc1ccc([C@@]2(CCBr)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)cc1 963780392 ZMMIQIMNVGSUBO-HKBQPEDESA-N 575.503 6.044 50 1 KKGF CCCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857561390 JECQBHPHBSTJDJ-UFZWRLCVSA-N 591.528 6.220 50 1 KKGF O=C(N/N=C/c1ccc(Oc2nc(Oc3ccc(/C=N/NC(=O)c4cccc(O)c4)cc3)nc(Oc3ccc(/C=N/NC(=O)c4cccc(O)c4)cc3)n2)cc1)c1cccc(O)c1 1857567434 YRFLMCJBPQIMQR-IBLHGWQZSA-N 843.813 6.657 50 1 KKGF C[C@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1857575772 ZFXWFERMWALKMQ-KRWDZBQOSA-N 506.440 6.716 50 1 KKGF N#CC1=C(NCCC(=O)NCCCCCCNc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O 1857588129 BFASFHPRUZXSSC-JGCGQSQUSA-N 833.765 6.354 50 1 KKGF C[C@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857593799 RWFBFSUANNAWRX-INIZCTEOSA-N 523.414 7.770 50 1 KKGF COc1cc(C(=O)/C=C/c2cc3c(c(C(C)(C)C)c2)OC(N)=C(C#N)[C@@H]3c2c(C)[nH]c3ccccc23)cc(OC)c1OC 1857745414 KHWNTXZSRPTESA-MSDMSBKNSA-N 577.681 6.914 50 1 KKGF CCCCCCCCCCCCCCCCO[C@H](CO[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)OC 1857750102 IZQJGVSAHONSJR-SZXRNAOASA-N 762.901 6.671 50 1 KKGF Cc1cc2nc3c(nc2cc1C)[C@@H]([C@@]12CCc4c([nH]c5c(C)cccc45)C1=C(C#N)C(=O)N2)c1ccccc1-3 1857762123 HRZGYHMHWMSRCU-UBOZLPQGSA-N 507.597 5.941 50 1 KKGF CO[C@H]1O[C@H](CI)[C@@H](OC(=O)/C=C/c2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1 2178317120 ACEVGYFMNZPUSN-TUCNSSRHSA-N 614.476 5.589 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@H](O)CC(=O)CC2 2356354305 IILHZJLJWXNZGJ-FPOVZHCZSA-N 514.665 5.215 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)c(O)c(OC)c1O 2356358163 XMDGJOBRANCNLH-UAIDQLGMSA-N 680.841 6.587 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356420579 GTNWJJTZQLWLEN-YTWFUBDDSA-N 739.778 11.048 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)C4)[C@H](CCC(=O)OCC=C(C)C[C@H](C)C[C@H](C)CCC[C@H](C)CCCCC)[C@H]3C 2356469641 VLMUKTSQARJLRE-KFJIEBCQSA-N 827.167 13.429 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356775302 LBTXTJUMFVVZJA-IWGXVSHESA-N 845.175 5.741 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=C[C@H]3C=C[C@@]4(CCC[C@@H]5[C@H](O)C[C@@H]6[C@H](CCC67CCCC7)CSSC[C@@H]3N54)[C@H]2[C@H]1C 2356810932 BCSCQZNVNIKJSO-HIUDQUOISA-N 611.870 6.736 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356828144 ITAZLIWVEYEPCL-RYUVTZMHSA-N 825.155 6.137 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2ccc(O)c(OC)c2)C2(CCCC2)SSC[C@H]1C1=CCN=C1 2356838633 MBTGZCGOFBGVBF-WDTRASESSA-N 559.794 6.907 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356841292 NGQAJNKLKGSRKW-WARRZFQZSA-N 799.117 5.747 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@H](C)[C@H]1CCC(=O)OC 2356874640 YXOQQWLILYFIGT-GTCCEBARSA-N 606.723 5.602 50 1 KKGF O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H](Cl)[C@H]21 17433721 HLLGIHOHYYUOEV-AZCFJWIISA-N 525.970 6.240 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccc(OC)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802485 UCTVZOCQGGLXKA-KXZZPGAFSA-N 520.529 5.330 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 44430778 CYPJKKBEVOGYIM-DOTOQJQBSA-N 514.423 5.003 50 1 KKGF Cc1ccc2oc(=O)cc(COc3ccc([C@@H]4[C@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)c2c1 49709842 UDVOEWUKOOISDH-LOSJGSFVSA-N 524.798 6.138 50 1 KKGF O=C(N/N=C/c1ccc2ccccc2c1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 58519405 FISFVXMIXFHZDM-XZYGTATASA-N 652.346 7.495 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@@H](C)CC[C@@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 85567706 RXTSWHPBNFDLNN-CVLRFGOVSA-N 706.879 6.034 50 1 KKGF biogenic,in-vitro COc1cc(/C=C/C(=N\NC(N)=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccccc2O)C(/C=C/c2ccc(O)c(OC)c2)=N/NC(N)=O)ccc1O 96907927 RYWOMUJDIURNKV-VPICTSLQSA-N 728.766 5.532 50 1 KKGF CCC[C@H](NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@@H](CCC)c2ccccc2)c1)c1ccccc1 103262709 JXPZDSAVTLNAIN-LCWMVCTNSA-N 530.672 6.816 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CCCO)c4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344174 UKYNYCCCAVHXDH-PVZIQHHISA-N 762.051 7.906 50 1 KKGF biogenic,in-vitro CCCCCCCCCCCCCC(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299822814 CXTIBHCXZMXSLA-UHFFFAOYSA-N 531.785 8.165 50 1 KKGF Cc1cc(Cl)ccc1OCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587066463 OITGFRJHKSNQSV-UHFFFAOYSA-N 505.734 7.956 50 1 KKGF COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1OC 587239638 UTSDIXDZUJRRNQ-UHFFFAOYSA-N 549.587 5.212 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@H](C#N)c1nc(-c3ccc(OC)c(OC)c3)cs1)CC2=O 587495047 NBEAQKQZSVESHQ-HFJWLAOPSA-N 513.015 5.736 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587497590 JHCZQLPOECGOCE-PEGYKEAPSA-N 520.412 6.238 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614929 VWDYMDFYYPXCJV-QXIHQKPUSA-N 576.199 7.490 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)ccc2F)N1 587719537 PVGLDTJGZIGIAT-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF O=C(O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 621430838 YIGIDZHXWUYKIG-ZIVXXOHCSA-N 684.674 8.067 50 1 KKGF O=C(CN1c2ccccc2Sc2ccccc21)NNC(=Nc1ccccc1)SC[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639725 LXROIIRPPXIQRA-DWASKABQSA-N 793.462 9.675 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c(Cl)c1Cl 962675474 XBFGOMIHTIBUMV-RPWUZVMVSA-N 586.335 5.072 50 1 KKGF CCCCCCCc1ccc([C@H]2C(C#N)=C(C)NC3=C2[C@@]2(c4ccccc43)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1 962682350 XCPDVLBWEAHODN-IREXDZEMSA-N 731.859 10.087 50 1 KKGF C[C@H](Br)[C@@]1(c2cccs2)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962972151 QRROOEWFJYNMAD-BRLDBPPWSA-N 604.906 5.387 50 1 KKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963011778 OJGVXSWGMCLOIH-ZALSCMSASA-N 578.496 6.583 50 1 KKGF C[C@@H](Br)[C@]1(c2ccc(F)cc2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963090766 IFCPOIBSHUBGNI-RVSJUDRJSA-N 620.562 8.156 50 1 KKGF Fc1ccc([C@H](Br)[C@H](Br)[C@@]2(c3ccc(F)cc3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963094284 CIUQZVIHJMUOHL-CPPMQADQSA-N 565.271 7.268 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CCCCCCl)c1ccccc1OC(F)(F)F 963153456 VTRIDRHBRXIOAM-UZUQRXQVSA-N 549.011 6.331 50 1 KKGF CC(=O)N1c2ccc([C@]3(CCl)c4cccnc4CCN3C(=O)c3cc(C(=O)c4cccc(C(F)(F)F)c4)c[nH]3)cc2C[C@H]1C 963585362 USSWGJJGUFYKPT-AYLZSAKASA-N 621.059 6.138 50 1 KKGF COc1ccc([C@]2(CCCCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963927750 DHNLJORIKMNAJD-HHHXNRCGSA-N 526.468 6.100 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(c3ccc4c(c3)cc(O)n4C)[C@@H](C)Br)nc(Cl)nc21 963928838 PDVVFNJIJRSYEY-HJWYETAXSA-N 595.929 6.053 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)CCCCBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCCBr)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857753677 TVJWOWKLCCUWNX-JJGSAGOCSA-N 768.756 11.229 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356301313 UXOSVHCMTLOIOH-RQRKYHLRSA-N 895.157 6.175 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356367061 VQPOSIJMTDFNAE-WLEFKRRDSA-N 810.985 6.874 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSSC[C@@]3(NC(=N)NCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356369611 RZLVWQARDAHDBP-JCTFVOJISA-N 782.982 5.392 50 1 KKGF CCCCCC[C@](C)(O)[C@H]1Cc2c(c(CO)c3c(c2OCCCO)C(=C2CCC(=O)[C@@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356374125 OCUAAQRJZXLMJX-CFUDYXLESA-N 715.840 6.145 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OCCCO)C(=C2CCC(=O)[C@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356374128 OCUAAQRJZXLMJX-YVCLTMTQSA-N 715.840 6.145 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@](NC(=N)NCCO)(CSS[C@H]3CC[C@H]12)C4 2356374376 UUXFDLVJUADWSM-AVAVUFETSA-N 809.020 5.781 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356431425 QJJIATHLYNFESK-MXUVMNBWSA-N 825.188 7.532 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@]47CCC[C@@H]4C[C@H]6CC7)C[C@H]1CC[C@H]3C2)C5 2356636862 YHUMZGPGMULWCL-JEJOSVQASA-N 993.434 11.655 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)CC[C@]6(O)C[C@](CO)(NC(=N)N)CSSC4)O[C@@H]21 2356637766 DQARFAIBZBVDAZ-MABBYIDJSA-N 738.929 5.308 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H]1CC=C[C@@H](C4=O)[C@@]512)CCNC(=N)N3 2356639718 AVDCOKJFCJMDSC-SERSDUPLSA-N 555.854 5.998 50 1 KKGF CC(C=O)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2356687214 IAEFJGPZEPGPGJ-UHFFFAOYSA-N 548.855 11.727 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOCCCO)C3)c2)N1 2356742031 MKULTUILHHYMCV-PDHVKANDSA-N 771.059 6.460 50 1 KKGF CC(C)=CCCC(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)=C1CCCCC1 2356767440 BEZCYMDSTHRDBG-XJZSZEIDSA-N 554.812 6.675 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356776111 DQOPTFBDOREGQH-RQSMUTGDSA-N 838.238 7.193 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356815335 CQBOOEZNNUXWBL-CYNJPZLPSA-N 987.431 9.790 50 1 KKGF CCCC[C@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NNc2ccccc2)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 27762615 CXIQAHVMKNGONG-WUNLWTINSA-N 589.758 6.896 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 40576160 VSIAAVPIPYALAJ-GOSISDBHSA-N 503.491 6.789 50 1 KKGF Cc1cc(N)cc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)c1 43524507 RFBMMGSKTZRYNH-UHFFFAOYSA-N 511.497 6.961 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)CSSC1 85596474 IINOTAJYFPVTFQ-ZHRRBRCNSA-N 512.697 5.917 50 1 KKGF biogenic,in-vitro CCCSSN(C(=O)c1ccc2c(c1C)O[C@@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103219597 NMSLBPAAOZMSGD-IBGZPJMESA-N 500.730 6.940 50 1 KKGF CC[C@H](C)[C@@H](NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)co1)C(C)C 150531172 MCIFJQSPRUYOHX-QZNVCQCUSA-N 927.876 6.072 50 1 KKGF CCOP(=O)(OCC)OCc1cc(C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1COP(=O)(OCC)OCC 169297113 MQUHWSOQPIDDIV-CUAVWCJBSA-N 971.068 10.668 50 1 KKGF C/C=C/C=C/C[C@@H](C[C@@H](CCCCCCc1cc(O)cc(OS(=O)(=O)O)c1)SS[C@H](CCCCCCc1cc(O)cc(O)c1)C[C@@H](C/C=C/C=C/C)OS(=O)(=O)O)OS(=O)(=O)O 238769131 OZONNSYTHKPECL-WAKPCHTKSA-N 967.278 9.991 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054196 CWMRMSURSGSYBD-FRKPEAEDSA-N 500.311 7.232 50 1 KKGF C[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C=C(c2ccccc2F)NO1 587155110 HUFHCXVZGXQHEM-KRWDZBQOSA-N 500.262 6.913 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587375170 RMAFJSQRJKDLCJ-MXBOTTGLSA-N 609.506 7.695 50 1 KKGF Cc1cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)ccc1Br 587676966 JJMKEEQGULFFGU-BSEYFRJRSA-N 554.729 7.083 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 587684474 KPGDJMHAEDXKAN-ZJWNCGCPSA-N 513.794 5.136 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587685696 AUDKJLASNPBHGY-RKPBBICVSA-N 517.826 5.621 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 587714628 AYRIZWNNBAQDKK-SKLCBMLGSA-N 578.904 6.928 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(CN4CCN(c5ccc(F)cc5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653773202 QUCOQILQAAEPLE-XTWORZGJSA-N 552.687 5.735 50 1 KKGF Cc1cc([C@@]2([C@@H](C)Cl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)cc1 962961898 XDKFVAQAUPQJSQ-WINIVTDRSA-N 537.453 7.289 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCl)Cc1ccccc1Br 962988459 OICDULJOVWKLBS-NDEPHWFRSA-N 591.329 6.454 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2cc(Br)ccc2F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089568 FYXKUWTTXKQTLG-QWOOXDRHSA-N 685.431 8.530 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(c2cc(C)n(-c3ccccc3Br)c2C)N1C(C)=O 963329339 MGAYJXBYHWDHRQ-KMRXZBIJSA-N 880.214 7.142 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@@](CNC)(C[C@@H]2C[C@H](O)OC)O3)C12CCCC2 2356357985 WHVXIKJOUVILHP-FQEQYOGKSA-N 945.302 9.180 50 1 KKGF C[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C[C@H](C)CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@@H]1O 2356537808 GTLHTVNKXAOYFH-FDWPSEDTSA-N 672.174 10.742 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@@H]5C[C@]67CCC[C@]6(C[C@@H]5[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4)C[C@@](O)(CO)CC7 2356564649 WNKDLTHWOVDVNO-RCKZRWSZSA-N 998.321 8.850 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356627509 LAEKLZBSRIJJLA-IHPDZWCTSA-N 847.109 8.107 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCCC[C@H]2CNC)Cc2cccc(c2)C1 2356723377 GOIXWAYFKKSJPF-YEDPDACASA-N 966.358 6.665 50 1 KKGF CC(=O)OC(C)(C)[C@H](C)[C@H](C)C[C@@](C)(OO)C1=CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356793725 HNDRHYSJRCQNII-UTNUNHLJSA-N 536.750 5.264 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3C=C[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356837285 LIZDSFBTCHMWMG-HHYDURQASA-N 931.323 8.701 50 1 KKGF O=C1[C@@H](Cl)[C@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009722 AWPPQDWOZLAEGU-DYCBHTBMSA-N 557.078 5.235 50 1 KKGF O=C(O)Cc1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(CC(=O)O)cc2)cc1 29468984 IUGOMRJDGNTFTM-UHFFFAOYSA-N 572.664 6.245 50 1 KKGF OCc1cc(O)cc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 44031899 DURANLOQWQNLQN-UHFFFAOYSA-N 500.426 5.488 50 1 KKGF COC(=O)[C@H](CSSC[C@H](NCCC(=O)c1cc2ccccc2s1)C(=O)OC)NCCC(=O)c1cc2ccccc2s1 72113996 QFXLDOAWEOAXGO-VXKWHMMOSA-N 644.862 5.606 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 85567759 PNBOSJWNLLRRDV-ZWBLARDSSA-N 652.831 7.448 50 1 KKGF biogenic,in-vitro C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@@]2(C)C(=C(C)CC[C@@H]2Br)Cc2cc(ccc2O)C(=O)O1 138609452 ZDRFGYGMJGENEX-DKJSDLLJSA-N 584.389 7.005 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCCCCCCCCCCCBr)CC[C@H]1C 150582842 JXNTXAKTUXWTBG-SEBWJLTRSA-N 703.931 11.844 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(/C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C/C=C\C1=O)[S@@](=O)SC(=O)[C@]2(C)O 169306319 JFEMHRLBYMSHKB-WEKPREERSA-N 749.074 8.409 50 1 KKGF CCCCCCC[C@@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621831 KDEBQRHOJZQXGT-FWKCKQQBSA-N 737.460 8.859 50 1 KKGF COc1ccc(CCN(C)CC#CCC[C@@](O[Si](C)(C)C)(c2ccccc2)C2SCCCS2)cc1OC 195006383 NTPCTAVOOTZCML-SSEXGKCCSA-N 557.898 6.905 50 1 KKGF O=[P@@](CCOc1ccccc1OCC[P@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 195425195 NQVLIKGROOEJAR-XDVNEXBFSA-N 946.964 6.114 50 1 KKGF CC(C)[Si](OC[C@@H]1C[C@H](C[C@@H]2C[C@H](C[C@H]3C[C@@H](CO[Si](C(C)C)(C(C)C)C(C)C)OC(C)(C)O3)OC(C)(C)O2)OC(C)(C)O1)(C(C)C)C(C)C 221571223 OEFQNGCHHAIRRS-PQVJJDQFSA-N 745.244 10.881 50 1 KKGF Cc1ccc(-c2csc3ncnc(SCc4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)c23)cc1 587038131 LDEAQSPKRACATC-UHFFFAOYSA-N 593.466 9.255 50 1 KKGF Cc1ccc(C)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 587191099 OSADOAKTNVKTAJ-DVIJRVMISA-N 589.821 7.212 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 587313130 FVDPVDYBYSNJOJ-NUDMSCLTSA-N 780.377 5.032 50 1 KKGF 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KKGF COC(=O)[C@@H](CSSC[C@@H](NCCC(=O)c1ccc2ccccc2c1)C(=O)OC)NCCC(=O)c1ccc2ccccc2c1 66252371 LNVLPUURHLBYCH-LOYHVIPDSA-N 632.804 5.483 50 1 KKGF CNC[C@@H]1CC[C@@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@@H](O)[C@@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1[C@H]1CCC[C@@H](C)C1 85595583 AAOVQVCDKSYKLO-SGVNGNGGSA-N 808.113 6.381 50 1 KKGF biogenic,in-vitro CCO[P@@](=O)(F)CCOCCOCCOCCOC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1 96300916 VEXCTDMHUYFPDR-QPUWJJAWSA-O 829.880 5.876 50 1 KKGF N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(=O)O 146946649 AYFGFJMHBPOSIN-ZBJSNUHESA-N 504.636 8.605 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@]4(C)CC[C@H]1[C@@]32OO4 169616810 CRSJHIRCVZDTHB-WSJBRYCNSA-N 832.066 7.556 50 1 KKGF CCN(CC/C=N\c1cc(O)c(NCCCCCCNC(=O)CCCC[C@@H]2CCSS2)cc1O)Cc1ccccc1OC 169722284 IJDWAUUCIBAVEK-TYDYEGSESA-N 630.921 7.524 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12CC[C@H](/C(=C\C=C\C(C)=C\CC=C(C)C)COC(C)=O)[C@H]2O 238730648 LMEBPARQXLCYCI-ZBHOCQPRSA-N 682.983 9.233 50 1 KKGF CC1(C)O[C@@]2(C[C@@H]3C(C)(C)[C@@H](Cl)CC[C@]3(C)O)C(=O)c3cc(O)cc(O)c3C(=O)[C@]2(Cl)C[C@H]1Cl 238745690 WIMMWIAJQXLZLL-RHVOYJMBSA-N 533.876 5.184 50 1 KKGF COc1ccc(C(=O)/C=C/c2ccc(C(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc1[N+](=O)[O-] 299856910 KVIRDGKLEPSLJF-FGALABFWSA-N 593.629 5.864 50 1 KKGF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2N)C1 586955955 XDKDRPWOUWBFDW-UHFFFAOYSA-N 547.369 5.550 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(F)c(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054611 GYXOZQFGDPNVIM-NTEUORMPSA-N 504.190 7.243 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(O)nc(S)nc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189514 BQEVEIGQATZQMR-TXJNDQRYSA-N 611.809 5.379 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587222512 YTVOFAPLRPQGQT-SFHVURJKSA-N 535.535 7.310 50 1 KKGF Cc1ccc(OC(F)F)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587329170 KTADYRXPACLEIJ-ZJSXRUAMSA-N 507.302 6.090 50 1 KKGF O=C1C[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)Oc2c1ccc1c2CCCC1 587497530 CRSZGPQMIPVEQW-HSZRJFAPSA-N 507.211 6.783 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(Br)c1F 587566817 BFJKKPBNHXBNCJ-UWJYYQICSA-N 508.137 5.546 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(F)ccc1Br 587566856 BOGWDMUBSAQXDE-NQIIRXRSSA-N 508.137 5.546 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587830298 DPPYXMKHCXBFEA-BASKLCMXSA-N 981.047 7.548 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2n1 587854125 BNJGTZHSGAAPSR-AMXDTQDGSA-N 510.860 5.790 50 1 KKGF O=C(CCl)c1c[nH]c([C@H]2c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 962712012 LYVNLYHIQXXODV-BHDXBOSCSA-N 633.095 5.642 50 1 KKGF FC(F)(F)c1cccc2c1[C@](CCCCCCl)(c1ccc(Cl)c(Cl)c1)NCC21CCOCC1 962963515 YWBFKBYRRJVYOE-DEOSSOPVSA-N 520.850 7.706 50 1 KKGF CC1(C)CCC[C@@H](Cl)[C@]12c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963087453 AGBAZBKPBYAAOP-MFNWSBMRSA-N 550.142 8.003 50 1 KKGF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(F)cc1)[C@@H](Br)[C@@H](Br)c1ccc(F)cc1 963131235 MOBRUEVGGHXSTC-FIXSFTCYSA-N 551.225 5.952 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C)(CSC#N)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369642 XOYNWJRHCZGBNX-WNJJXGMVSA-N 514.603 5.170 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@H](c2ccc(OCCBr)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938465 MYCFBUKOKBELTO-UYIZUTNXSA-N 688.710 5.687 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(Br)cc4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc(Br)cc4)cc23)cc1 1857589112 PUJSLUAPZZYXAC-UHFFFAOYSA-N 890.636 6.909 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@H](OCO)CC3)C[C@H]1CCC(C)C 2356366857 RNSOXIUYHBTONR-MDUGJRNASA-N 798.074 5.311 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)C2(CCCCC2)SSC1 2356420590 HPRJYVPDOMAMAK-HXUWFJFHSA-N 554.778 6.871 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(c3ccccc3)CCCCC2)SSC1 2356463013 LUTZEMGCOHRSRV-LHAPQZOASA-N 644.903 8.655 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)CCCC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356744978 UAMJDBHGEBLGGF-VERUZIMGSA-N 579.773 10.898 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356849784 PXXQPLHWHIWAMX-BHIYYDKYSA-N 957.361 9.099 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CC(=O)O)C(=O)O)c2)cc1 27762321 CCLWDTMZDZRMLS-IALVYGIMSA-N 591.686 5.180 50 1 KKGF CCCCCCCCCCCCCCCCNC(=O)[C@@H]1CS[C@H](c2ccc(NC(=O)CCl)cc2)N1 49762347 STUDAWDNZJRYEX-LBNVMWSVSA-N 524.215 7.165 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(Cl)cc2Cl)C2=C1CCC2 103950627 RPFKKTSPXFAJJK-IBGZPJMESA-N 560.287 7.353 50 1 KKGF CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSSC[C@H]1O2)C5)CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc2cc(O)cc(OCO)c2-3)C1 150343180 KVBTTYUPZIUICB-AHWABVOFSA-N 900.132 8.282 50 1 KKGF biogenic,in-vitro Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24CCCC[C@H]3[C@H]1OC4=O 150345669 KHVOVXGEZOOIJA-MMGQQXPPSA-N 702.855 6.204 50 1 KKGF biogenic,in-vitro C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O 195500854 TYSIIYDVTAHYDU-HMPHPEQUSA-N 548.793 6.134 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)OC(=O)OCN(C)C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299846331 KSWITKPZSWISDA-ONQMKZGISA-N 557.816 7.492 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cccc(C(=O)N(CCCCNc4ccnc5cc(Cl)ccc45)CC(=O)NC4CCCCC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473091002 BIPZVIYGVBFWDN-VGEXFFONSA-N 789.414 8.396 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3nc(Cl)cnc3Br)nc2c1 587005505 JXSAZCFUCZPCQS-UHFFFAOYSA-N 514.499 6.856 50 1 KKGF CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c12 587169118 WARQIEFKFCNGGS-UHFFFAOYSA-N 537.533 8.761 50 1 KKGF COC(=O)c1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c(F)c1Nc1ccccc1 587189509 CQASBWJTEGOVPJ-MAZKZVDRSA-N 728.906 8.264 50 1 KKGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321097 IDZXXGJUJDWYRU-ZEQKJWHPSA-N 508.343 6.144 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@]13OC(C)(C)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]13C)O2 587384254 ZCXUTUMMXWUUOT-CCCXWBGMSA-N 602.143 5.615 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587503189 FZWLBTJHUNFFGZ-QHTQQQMASA-N 583.140 5.856 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CCl)cc(Br)cc2c1=O 587539581 FIUFBZPSOPIBLG-NTKDMRAZSA-N 513.727 5.703 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2c1c(Br)cc1n[nH]cc12 587621991 SRAQJIIOLSSXMY-XHYMPGPESA-N 647.397 6.806 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 587673608 OQXQCFIILGQMCY-JWIGPWBQSA-N 586.299 6.594 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 587673813 QFZFHNVGADMNQX-PWECECGKSA-N 541.343 7.062 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@@]1(C)N[C@@H](C)Cc3ccc(F)c(Br)c31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587830302 DPPYXMKHCXBFEA-QMIWEJMVSA-N 981.047 7.548 50 1 KKGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc(Cl)cc2)N1 962969256 QASPBKCCYWREJF-NSXLHWASSA-N 525.766 5.360 50 1 KKGF CCCCOc1c(B(O)O)cc(C)cc1[C@H]1c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085235 YSXWHEXBLFZDJP-XRSDMRJBSA-N 791.599 6.900 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)([C@@H]1C[C@H]3CC[C@H]1C3)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963806470 HANKFVWMJOJFQH-KSWBEHQISA-N 507.030 5.323 50 1 KKGF COc1ccc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c(OC)c1 1772581666 BZVKRNKSRJESAM-SYCUQFRCSA-N 594.701 6.203 50 1 KKGF O=C(NCCc1nccs1)c1cnc2c(SSc3ccnc4cc(C(=O)NCCc5nccs5)cnc34)ccnc2c1 1772654005 OFNQVOGOMOJAMR-UHFFFAOYSA-N 630.806 5.230 50 1 KKGF N#CC1=C(NCCC(=O)NCCCCNc2cccc3c2C(=O)N([C@@H]2CCC(=O)NC2=O)C3=O)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O 1857613341 NJPMNDWUBVDRQS-SSEXGKCCSA-N 805.711 5.574 50 1 KKGF Cc1ccc(Cc2nnc(NC(=O)/C(C#N)=C/c3ccccc3OS(=O)(=O)c3ccc(C)cc3)s2)cc1 1911576879 YAWVWDJCHGNJGO-CJLVFECKSA-N 530.631 5.059 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Br)C(C)(C)O[C@]1(C[C@@H]1C(C)(C)[C@H]3CC[C@@]1(C)O3)C2=O 2356336943 UGEWFNIBLSXHJU-HTNWFMEDSA-N 555.893 5.448 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]15CCCC[C@@H]1C[C@H]([C@H](CO)OC)CC[C@@H]5C#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@@H](C3)[C@H](O)O4)CC[C@H](O)CC(=O)CC2 2356350814 KCAIHYPAVIUMHA-GXDBHWTPSA-N 959.285 5.877 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3Cc4c(c(OCCO)cc5c4[C@H]1[C@@H](O)[C@H]2O5)-c1ccc(O)cc13 2356357250 REDIEUKDJJCTFM-WTPRYBQCSA-N 676.853 6.501 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@H]1C=CC[C@@H](C)C1 2356482578 QRLRTTIDFWWHKD-YJAIEUMOSA-N 806.097 6.157 50 1 KKGF COc1cc2c(cc1O)CSSC[C@@H]1Cc3cc(O)cc(OCO)c3-c3ccc4c(c31)O[C@H]2[C@@H]4COC(C)=O 2356509161 FVGVJZAZRBVDCP-OOFIYHFUSA-N 568.669 5.417 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@@H](C)C3)C2)C[C@]12CCC1(CCCC1)C2 2356601092 JAQAIDACYUMOBX-LLKNTONOSA-N 767.246 11.770 50 1 KKGF C[C@]12CCC(=NNC(=O)c3ccncc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(=O)c3ccncc3)CC[C@@H]12 2356688768 LTANJFVUAIWDNA-JMYPUNMRSA-N 526.685 5.391 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356694113 WAHQSNSYGMSFJO-YWSXTYJYSA-N 767.155 8.484 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@@]54C)[C@]21O 2356773515 BGBRALBNNYSAKD-NIKYZETESA-N 815.199 8.506 50 1 KKGF CC(=O)O[C@H](CC=C(C)CCC=C(C)C)C(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356777377 UMUGWPGRUHYSOT-BVEPWEIPSA-N 516.763 7.183 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CN[C@H](O)[C@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356849099 PSTJAZASTBICMV-TZDLJVDISA-N 948.085 5.849 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccoc2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 42765147 ZABSPJOXBSMZHR-GEXZUPFJSA-N 563.474 5.440 50 1 KKGF C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@H]5COC6(CCCC6)OO5)cc4)cccc23)cc1)[C@H]1COC2(CCCC2)OO1 49833146 PBZIKNUACYHOPI-XPSQVAKYSA-N 648.752 9.685 50 1 KKGF C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 49889461 PVRASDIDTPIMMD-LQJZCPKCSA-N 608.728 6.547 50 1 KKGF CCO[P@@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 95554213 VPWMCMFURNHFAB-NLXJDERGSA-N 755.846 8.861 50 1 KKGF CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O 100782335 CSWYLIDLQDJVCQ-MCWLJNFHSA-N 568.795 8.133 50 1 KKGF endogenous,in-man O=C(CBr)Nc1ccccc1Cn1c2c(c3ccccc31)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@]1(CCN3CC1CC1)[C@H]2O5 150583796 GBXBARRNQZEHCA-JQGOHGDASA-N 640.578 5.428 50 1 KKGF CCCCCCOc1ccc(/C=C(/C#N)C(=O)NCc2cccc(CNC(=O)/C(C#N)=C\c3ccc(OCCCCCC)cc3)c2)cc1 150605174 KVIJMBPVJJJXOW-SDURLSCFSA-N 646.832 8.052 50 1 KKGF CC(C)[Si](OC(=O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)(C(C)C)C(C)C 195346205 RLNRWWOBGWOLEH-UHFFFAOYSA-N 904.175 8.864 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc4ccccc4n3CCOc3ccccc3Cl)[nH]c2c1 587063930 DXJNUGZUFASDOQ-UHFFFAOYSA-N 513.919 8.574 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(N)ncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190217 JWBRABYUSBPSJG-GMNGCZMBSA-N 577.770 5.572 50 1 KKGF O=C(CCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325687 GSVHPRGXIJPDSB-PXJZQJOASA-N 501.941 6.011 50 1 KKGF CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534026 AHRQTHUIAQADIJ-MGBGTMOVSA-N 562.175 7.890 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)(C)C)cc1 587544631 OQGXKKXIQYZUMN-DLFZDVPBSA-N 516.037 7.193 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587852726 ICJPPXAIYNHTJN-NRRJATNASA-N 595.365 7.275 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)c3ccsc3CCN2Cc2cccn2C)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 962401970 XUISDGYMZIICCE-BXXFBEJBSA-N 681.314 7.486 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963043417 UXZUGUQRIBLOQK-JJQXXVEZSA-N 715.547 6.892 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCl)(c2c[nH]c3cccc(C)c23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368766 UHZYJQVFXCVUCW-LBHUVFDKSA-N 607.106 7.013 50 1 KKGF COc1ccc([C@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1F 963421053 YFIMHCWQYZZJCL-WXVAWEFUSA-N 537.385 5.106 50 1 KKGF CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)O)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](OC(=O)CCl)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C 1772624962 IUKKYSNOISCOSQ-ASRUCHOBSA-N 827.493 6.978 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 1911582305 WJMBXFJRZRXIJE-NBVRZTHBSA-N 555.012 5.235 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356359448 LESLKQIQIYAOLN-RUWAZWKXSA-N 825.144 6.298 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@@H]2C=CC[C@H]3O 2356361143 VKZYXCBSUSQSSJ-RNHGXUCJSA-N 920.296 6.371 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](CCOC)([C@H]2CCCC[C@H]2CNC)Cc2cccc(c2)C1 2356370080 WRWMHNULNAFUPG-HLLIDYEZSA-N 968.374 6.889 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@@]12O 2356372103 YEIBNZRHVJUJEO-KUKDYAQCSA-N 974.432 8.745 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@H]4C1=C1C[C@@H](CC#CO[C@H]43)CC[C@@H]51)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356407639 GUXVZIQVJOIJHX-ZHDFQYNPSA-N 896.277 7.584 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356530954 XJRGTPCJNAGVTK-XYVFQRHQSA-N 739.010 5.193 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356621178 QXYNSIJOQYJLMB-JKTJMYDOSA-N 873.147 8.495 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)CC[C@]12O)C[C@@]3(O)CCNC)CCC=C(C)C 2356753754 BBFLMUKBZQMGCW-HALRKINNSA-N 579.822 5.116 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356809233 AORGBOLWBKFWKP-ZZRKCHDSSA-N 825.155 6.135 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)CNC[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)[C@H](c3cc[nH]c3)CSSCO[C@@H]2[C@H]1O 2356846350 ONBPDZPTHYWIMI-SWFNDQQUSA-N 889.061 7.432 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC5=C(CC[C@@H]6CC7(CCCC7)C[C@]56C[C@@]5(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]5O)CN4)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356846976 OSJSKVRDAMGAEU-LIXRLKFFSA-N 871.087 5.158 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSS[C@H]2C=CC3=C(NCC=C3[C@H]1CN1C(=O)C=CC1=O)N2 2356851765 QJOAMJWRJYWOPJ-SPRMOVFOSA-N 711.906 5.886 50 1 KKGF O=C(c1ccccc1SSc1ccccc1C(=O)N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1 29472674 UYDBRJGZWRRGOQ-UHFFFAOYSA-N 608.788 10.443 50 1 KKGF CN(CCOc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@@H]23)cc1)C(=O)CBr 43422633 FLZUXGHOWFPLRH-LFXLQIHESA-N 542.514 5.235 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCCO)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 49952198 CESMNUAMCVZDDZ-LNTPYEJRSA-N 606.797 6.404 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C(C)(C)C)CC1)OO2 58602169 ZSWHWOUNGHFRGZ-JXCBIINASA-N 690.915 7.857 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)ccc2[nH]1 95608824 DVWKWYSAACQMTE-MRXNPFEDSA-N 740.091 6.902 50 1 KKGF C[C@@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25CC[C@H]6C7=CN=C8C=[N+](C=C78)[C@@H](O4)[C@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 150348971 KXWFLBFDGSUHEG-BZLXOTRJSA-N 870.130 6.388 50 1 KKGF biogenic,in-vitro CCCCCN(C(=O)CCCCBr)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 169713944 HMRMTWUTVVIJSI-UQFYPATQSA-N 537.627 6.802 50 1 KKGF CCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254058096 ZHVQBIHGGSQOSC-KNKSMKOWSA-N 590.710 5.324 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H]([C@@](C)(O)c5ccncc5Cl)CC[C@@H]4[C@@H]3CC[C@@H]2C1 261089297 DEPMEDSXCRDCRX-LODUJTQJSA-N 532.285 8.602 50 1 KKGF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)C(=O)OC2 586915647 PFVYWGHYQBJLGS-WCIBSUBMSA-N 597.400 7.797 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191958 ZTLKHNWFLPFBKQ-YEXLVFSCSA-N 766.712 10.015 50 1 KKGF Cn1cc([C@]2(c3ccccc3F)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587291033 XYOUHRSRILTDLW-IHVIASSJSA-N 814.741 5.400 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 587538291 OVUBNDCWXKRQRZ-IGKIAQTJSA-N 556.239 7.499 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587542587 HOTBRQBTEXPMPP-OXHKVPJQSA-N 525.944 5.408 50 1 KKGF COc1ccc2c(c1)[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)N(C(C)C)CC2 962045266 PDNHUKBRLBHOEW-MMTVBGGISA-N 503.033 6.842 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1cc(C)c(C)cc1C 962982634 BJFBRYWHTKSYJO-SSEXGKCCSA-N 540.487 6.423 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCl)c1ccc(NC(=O)CC)cc1 962984906 GFKLHSSSWUAMQT-SSEXGKCCSA-N 569.485 5.846 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CBr)c1ccc(N2CCCC2)cc1 963069376 RNYNMYUXCQQNEK-QRQMUESOSA-N 598.538 5.404 50 1 KKGF CCCC[Si](CCCC)(CCCC)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857587975 LYXSLDKILKXXOT-JZFMYCBPSA-N 667.016 8.931 50 1 KKGF COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](OC(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OCc1oc(=O)oc1C)C(C)(C)C 1857646373 HLSOVXYQLNILFZ-WKEQUWASSA-N 860.962 5.427 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24CCC[C@@H]3[C@H]1OC4=O 2356313750 XLWXSJGQPGEKIK-ICYDLJROSA-N 688.828 5.645 50 1 KKGF CCC[C@H](O)C[C@H](O)CC(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@H]5O)C1(C#CO2)CCCC1 2356487511 DEWQGWAGXCRLPF-DAIMZCMPSA-N 837.077 6.767 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356656416 UIOIUPXBVQUWKA-SJHZTFKGSA-N 713.063 7.314 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@H](C=O)[C@@H]1C=O 2356724989 GFRJMNBJHKMTDR-IOPRDPQWSA-N 590.889 8.887 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356734389 KXANWWIOPIKGQM-JZIMBOBNSA-N 743.042 5.581 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356776068 DBHDZCWYRBOHMR-PLVXTLOLSA-N 937.316 8.014 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@@H](C)CSSCNC6=CC(=CCN6)CC3=C4C(=O)O5)[C@H]21 2356805609 ADFHSANPPJGULX-QGJIBQGESA-N 578.800 6.427 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CCC[C@@H](C[C@]45CC[C@H](O)C5)[C@H]3O)C=C12 2356833775 KJUVZYDEWNCVJF-LWTHQLMVSA-N 900.261 6.866 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCC(C)C)[C@H]3C 2356838088 LPYBAHHQHXNAFO-XSYWJSESSA-N 871.176 12.753 50 1 KKGF CC(=O)N[C@@H](Cc1c(SSc2[nH]c3ccccc3c2C[C@H](NC(C)=O)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 27657642 MTTNYIXYAZMASA-ZPGRZCPFSA-N 732.932 6.176 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2csc(C)n2)cc1)C(C)(C)C 29134070 IJRMTQJEYMILJY-UKVDXBKXSA-N 727.928 5.251 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CCC(=C)[C@H]2Cc2cc(ccc2O)C(=O)O1 59353064 IPAZKUSUTMJKCC-LXZFFOPQSA-N 584.389 6.861 50 1 KKGF Cc1cc(S(=O)(=O)C2=N[C@@H](Nc3ccccc3)NN2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)C2=N[C@@H](Nc3ccccc3)NN2)cc1Cl 95614580 KAYDLINYSBIPRY-VSGBNLITSA-N 763.780 5.676 50 1 KKGF O=C1N(CCCCC[C@@H](O)Br)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCC[C@H](O)Br 96126608 JHBZEJFCXWXNHI-OKXKEXSSSA-N 684.510 5.216 50 1 KKGF CCN(C1COC1)C(C)(C)/C=C(/C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 224301372 FMEWHTMZZYPJGN-YTMAHBJJSA-N 624.721 5.120 50 1 KKGF CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccc(OS(=O)(=O)O)cc2)cc1 299853201 HGWZCDZZLXSJKG-OCEACIFDSA-N 502.032 5.397 50 1 KKGF O=C(NCCCCCCBr)c1cn(Cc2ccccc2)c2cc(Br)ccc2c1=O 299860426 JIFSZUPEAIIBST-UHFFFAOYSA-N 520.265 5.497 50 1 KKGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccc(Cl)cc3)N(CCCl)CCCl)cc(O)c21 473083719 PHMCONPLMSETOS-QFIPXVFZSA-N 504.797 5.396 50 1 KKGF NNC(=O)c1ccc2nc([C@@H](CO[P@](=O)(O)OCc3ccccc3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 586921425 FHLPKJHOIZOHNU-GDLZYMKVSA-N 627.594 5.080 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)[C@H]1c1ccc(F)cc1 587369211 FKZXWOHCIFGYPV-AHKZPQOWSA-N 525.985 5.453 50 1 KKGF COc1cc2c3c(c1)O[C@@](CCl)([C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)[C@@H](C2)C3=O 587429474 UVWJVNLFSAUHOT-SNUWEPMUSA-N 509.961 5.097 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587683165 FSSPDKIHVITITP-WXDSXEAQSA-N 667.487 7.979 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587683170 FSSPDKIHVITITP-YKQKIZICSA-N 667.487 7.979 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 587690012 YQTTYIYEGRWVTR-RKNYENMMSA-N 505.815 5.741 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587691581 GRJJNEXOXRLOMA-HSSLRCPOSA-N 594.994 6.571 50 1 KKGF COc1ccc2cc([C@@]3(CBr)NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)ccc2c1 962955304 LWMWYELLPJTKDR-RUZDIDTESA-N 520.389 6.157 50 1 KKGF Brc1ccc([C@@]2(C(Br)Br)c3ccsc3CCN2Cc2cccnc2)cc1 963002367 ZRKGPRMIICYKOX-FQEVSTJZSA-N 557.149 6.323 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CBr)(c2cc(F)c(F)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045538 XLBCYTXXDSQLJT-ZUKKLESISA-N 658.417 7.281 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cccc2c1[C@]1(c3ccccc3C2=O)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963066034 GFNPSHDAUGHOBF-CSPRGGSISA-N 644.124 5.567 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963084727 GUSYFNZYVQPAJF-VYQNARHWSA-N 676.654 9.200 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)[C@]1(c3ccccc3C2=O)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963578460 GBSQFDBHRYHBOP-DHUJRADRSA-N 669.059 6.372 50 1 KKGF Fc1ccc([C@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Br 963832074 KOQAOOYYNLVQFW-VWLOTQADSA-N 544.262 6.433 50 1 KKGF CN1CCN(CCOC(=O)N(c2ccccc2)c2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)CC1 1772626192 CHHCUIHBACXKKX-DEOSSOPVSA-N 598.933 5.091 50 1 KKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2(F)F)cc1 1772629445 OEPXPZSRQIXVNF-QFIPXVFZSA-N 518.404 6.216 50 1 KKGF Cc1ccc(OC[C@@H]2CN(C(=S)SSC(=S)N3CCCO[C@H](COc4ccc(C)cc4)C3)CCCO2)cc1 1772656682 PSMXFZDSXZLTJD-UIOOFZCWSA-N 592.874 5.894 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356299757 GRLWGNKNNLPNNN-NGAVHXQLSA-N 983.399 10.247 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@@H]1CCC[C@H](C)C1 2356366096 AAOVQVCDKSYKLO-ABPNWCGPSA-N 808.113 6.381 50 1 KKGF COC(=O)CCC(=O)[C@]12C(=O)N[C@H](Cc3c[nH]c4ccccc34)[C@@H]1[C@H](C)C(C)=C[C@@H]2C=CC[C@@H](C)C=C(C)C=O 2356366351 GONMAPGEEGOZBM-AZAUBKTASA-N 544.692 5.274 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5C=C[C@]1(O)C[C@@](C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]3CC(=O)c1cc[nH]c1CC#C2)(C4)[C@@H]5CCC[C@H](O)CO 2356367014 UQKJANSSRLGYIM-BAYFWETNSA-N 930.202 7.456 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@H]2C=CC[C@@H]3O 2356367949 GZSWNBGZJZWDKH-DWHOQVOQSA-N 960.317 5.884 50 1 KKGF CC(C)=CCCC(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(C)O)=C1CCCCC1 2356372055 WOJVNVSKJVYLBI-VRFJYCAZSA-N 578.834 6.697 50 1 KKGF C[C@H]1[C@H](C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]12 2356613749 XKHSFOSRVMEQJH-MAPBOHFNSA-N 601.077 10.242 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)CCC[C@@H](CC45CCCC5)[C@@H]3OCCO)C=C12 2356815090 CORPGZLJPORTQS-QUBUMQKOSA-N 928.315 7.912 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356826525 QZGWFXCTRMZWGW-GSNHQAJNSA-N 798.109 5.909 50 1 KKGF COOc1c(Oc2ccc(-c3cc(=O)c4c(O)cc(O)cc4o3)cc2)cccc1-c1cc(=O)c2c(O)cc(O)cc2o1 85645453 CBFWIKYYOBUICN-UHFFFAOYSA-N 568.490 5.788 50 1 KKGF biogenic,in-vitro CCOC(=O)/C(C#N)=C/[C@@H](C(=O)N1c2ccccc2Sc2ccc(Cl)cc21)[n+]1ccc(N(C)C)cc1 95594411 KDDWKTNTLVPEKK-ZGSOLVRCSA-N 520.034 5.077 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4C(F)(F)F)cc3F)ccnc2cc1OCCCN1CCCCC1 96283542 UQKKUMDUXKKYHZ-LALXJTNGSA-N 639.650 7.604 50 1 KKGF O=C(NC(=O)N(SSNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl 103201855 KTRNFMFTJKZXLZ-UHFFFAOYSA-N 565.948 8.058 50 1 KKGF COCO[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@@H](CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2 170121656 PSRRUEPWXFJQOG-DXXRHUJXSA-N 587.786 5.460 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(C)[C@@H](CO[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195486913 VAALHBSWSAOHDI-AEALSEPOSA-N 812.178 5.177 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 195496043 QIDGGBDFWBQMRT-NHZUIFSASA-N 682.075 10.981 50 1 KKGF CC(C)=CCC1(CC=C(C)C)C(=O)[C@]2(C[C@@H]3[C@H](CC[C@]3(C)O)[C@@](C)(OO)C2)C(=O)C(C(=O)c2ccccc2)=C1O 238756642 FRXXDTJJXGRUIN-CKJGTUKKSA-N 550.692 6.338 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc12 586943806 LJIUIGPREKJCBC-IBGZPJMESA-N 577.645 6.588 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056703 QKLMDNXUDQQIMW-GIJQJNRQSA-N 558.307 8.139 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@]1(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]31C)CC2=O 587460193 LFIQTWYLMORHOS-MCLXZIFISA-N 697.652 7.362 50 1 KKGF O=C1C[C@@](CBr)(c2c(Br)ccc(Cl)c2F)Oc2c1ccc1c2CCCC1 587501617 CLNWXORPXXGVGR-HXUWFJFHSA-N 502.605 6.376 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537592 IISWBWCDDDAYFZ-YKSBVNFPSA-N 514.328 5.123 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)cc2)no1 587538097 NINBPHVUJKKIFK-URXFXBBRSA-N 512.743 5.953 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccccc3Cl)c2c1 587618471 RFCXVBINAZAYOC-UHFFFAOYSA-N 506.367 5.945 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670323 KCUIAMWWWCYOKE-DDBGAENHSA-N 506.051 5.912 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587722077 YDBJITKOTSTBNM-ZSBZXLIPSA-N 693.069 7.464 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2Br)N1 587728377 RXWNHJYKHHRUHR-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 587766201 MLCIQEIWFQZDED-ABKOTVJZSA-N 510.495 6.961 50 1 KKGF CCOC(=O)c1ccc([C@@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962963803 WWQFZCYJQKAMTR-HSZRJFAPSA-N 512.366 5.172 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CBr)c1cccc(Br)c1F 963000579 YJTQWMZNGDMHTO-HHHXNRCGSA-N 639.743 6.555 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)[C@H](Br)C1 963030657 ZTOOGXWXSHHGNM-SJWLOSKGSA-N 616.940 6.009 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)cc1 963037764 LEVWHOHVQKYSNG-IAVNEVDUSA-N 701.597 9.157 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1Cc1ccc2c(c1)OCO2 963176450 IEEXRNHEDYBAMU-DFBJGRDBSA-N 555.380 5.635 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)[C@]5(C(C#N)=C[C@]43C)c3cccnc3CCN5C(=O)c3cc(C(=O)c4cccc(C(F)(F)F)c4)c[nH]3)[C@H]2C1 963580034 KKPGURXCZNGHOY-OWNQPULXSA-N 861.018 10.288 50 1 KKGF CC[C@@H](Cl)CCn1cc([C@@]2(C3C(C)(C)C3(C)C)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c2ccccc21 963796192 NYVWYSDUQRYWCS-DMSFNOBKSA-N 680.289 8.741 50 1 KKGF Cc1cc(C)c([C@]2(CBr)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(C)c1 963841705 QUOVBDQELFUTFM-ZBLYBZFDSA-N 516.476 6.195 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncccc2c1 1772589933 SYSDJZRMHPPYIO-CQSZACIVSA-N 572.510 5.898 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1nnc(Cc2cccc3ccccc23)s1 1911573183 FPUATTSHQFASHP-CJLVFECKSA-N 597.634 5.504 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@@H](O)SSCNc7cc(ccn7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356309633 XJGBEEJACFODBZ-WVDLHOASSA-N 700.967 8.884 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@@H]2[C@H](CC)N(CCCOC)CC[C@@H]21)C4 2356351954 IZFSPIUPIXDUSY-PMLJDEGTSA-N 895.059 5.259 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O)CC(=O)CC2 2356354381 IILHZJLJWXNZGJ-PZJWPPBQSA-N 514.665 5.215 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)CN[C@H](C)CCOC 2356360710 MCLJQJFGZWVVNY-QUXPTOGXSA-N 701.046 6.503 50 1 KKGF CCCCCCCCC=CCCCCCCCCCC(=O)OCC(=CC#N)COC(=O)CCCCCCCC=CCCCCCCCC 2356499959 NPRBNFQTTPCYHZ-UHFFFAOYSA-N 670.076 13.378 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)[C@@]34C=C[C@]5(OO3)C(C)(C)[C@@H](OC(=O)CO)CC[C@]5(C)C4=CC[C@]12C)C(C)C 2356722614 LMEMBPKCZMYYLN-DEGXKKENSA-N 572.739 5.143 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356824276 GUFDWIHRICBYMW-GSNHQAJNSA-N 797.101 5.827 50 1 KKGF Cc1c(C(=O)N/N=C/c2ccc(Cl)cc2)nnc2c3c(-c4ccccc4)c(-c4ccccc4)nnc3nn12 28353505 CACNKJTUFVDMBG-OKCVXOCRSA-N 518.968 5.127 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccccc1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Cl 84706582 XNHCPZQUHGODNF-HSZRJFAPSA-N 504.421 6.305 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSSC3(CCCCC3)c3cc(O)c(OC4CCCCC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 85595641 RURIAEKJFBPVMU-HEZMJXKXSA-N 692.937 6.619 50 1 KKGF biogenic,in-vitro CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C 101672242 QSBKSFLMMQOILO-KRAMHVPRSA-N 534.693 7.064 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 150348670 YSRSDEHLBILRDM-NROVWMGOSA-N 887.266 9.624 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC/N=C(\N)NCSSCCCCC[C@@H]3CC[C@@](OC(C)=O)(CC2)C[C@H]3O)CC1=O 150348745 LTTFSUUUDZKCFH-MWFOEWQGSA-N 727.006 5.965 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccccc1/C=C/C(=O)N1C[C@@H](CCl)c2c1cc(O)c1[nH]c(C(F)(F)F)c(C(=O)OC)c21 150545087 DEXWOFCKMFVPBT-VKTZZKDBSA-N 879.594 8.436 50 1 KKGF Cc1cc(Nc2cccc(F)c2)c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2n1 169352613 NLWMWKVMBBKSAE-UHFFFAOYSA-N 526.443 7.354 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](CC[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O 231928784 QQYZBYZNIRPGDE-FKBYEOEOSA-N 571.626 6.860 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c21 587057317 VDYCHAGLYUMAEE-HFTWOUSFSA-N 771.749 10.602 50 1 KKGF Cc1cc(N(C)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c([N+](=O)[O-])cc1F 587136124 BSYMJUXYMIOFJM-UHFFFAOYSA-N 519.265 6.975 50 1 KKGF COc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2)c(OC)c1 587219069 LPQPBKSHNUHSNU-PSXMRANNSA-N 816.643 11.207 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Br)c1 587321022 BYXXHDQFCRJADX-XCZPVHLTSA-N 554.843 7.195 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](Br)[C@@H](Br)c1ccc(F)cc1)[C@@H](C2)C3=O 587428724 OSEAHGMDSGXWAH-UGZNWAIPSA-N 564.220 6.516 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542525 HJBNWNCISRXUAH-QNOKYYONSA-N 525.944 5.408 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587552716 BQJNSSVDVVICRJ-YWEHKCAJSA-N 560.380 7.150 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@@]1(C)CBr 587674518 XJMZQYIGYOWZDB-LNUAOTPNSA-N 524.110 5.912 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1ccccc1 587689193 QUGGKMNCRZLCCT-SHACYNPGSA-N 504.831 5.407 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2ccc([C@@H](O)CBr)cc2)cc1 587877141 WEWCDUUBZIMMJZ-DEOSSOPVSA-N 517.250 5.799 50 1 KKGF Nc1cccc(-c2csc(NC(=O)CCCCCC[C@]3(C(F)(F)F)OOC4(O3)C3CC5CC(C3)CC4C5)n2)c1 621476433 WGIKDOWEZWYBTO-AZZMTSCQSA-N 565.658 7.061 50 1 KKGF CC1=C(C#N)[C@H](c2cccc3ccccc23)C2=C(CC(C)(C)C[C@@]23N[C@H](C(=O)O)Cc2cccc(F)c23)N1 962907621 HYSUUOOARPMEHN-AMIUEWMLSA-N 507.609 6.032 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2)([C@H](Br)c2ccccc2)N1C(=O)c1ccc(Cl)cc1 963014776 JVUJNFHWLOUFCG-FBXLTAPESA-N 613.939 7.547 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCCCCl)(c2ccccc2C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963071256 IMYXMMVWTUQRQP-OLBRMRTOSA-N 820.197 10.315 50 1 KKGF O=C(c1ccc(Br)cc1)[C@@H](Cl)[C@@]1(c2ccc(Br)cc2)NCCc2c(Cl)cc(Cl)cc21 963104174 HGTVXBBLYAZKCG-PKTZIBPZSA-N 588.554 7.398 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCCCCCl)(c2ccccc2)N1 963179771 ZSIQXBDJUKCCHY-VQIIKMDRSA-N 630.232 8.010 50 1 KKGF Cc1cccc2c1[C@](c1ccc(F)cc1)([C@H](Cl)C(=O)c1ccc(F)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963831447 GQGUFJLQCBXVJE-HVOSOHGQSA-N 570.032 6.644 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCC(Br)Br)CCCC[C@@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356323503 LVFPFIWBRYXLNE-PSEBVYMRSA-N 785.655 10.843 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 2356573503 PNBOSJWNLLRRDV-NYWKNWSTSA-N 652.831 7.448 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@]31CC[C@H]([C@H](O)[C@H](O)C4)[C@]15C 2356611226 PIYWFURNNOGWMG-QKCMRZBESA-N 880.223 6.607 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356692370 TVVAKLWNPKMXLB-DWTGOXOGSA-N 945.254 8.810 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@@]2(C1=O)[C@H](CO)CCC[C@H]2CSS[C@@H]5O 2356773358 XUPVQRVRJUAAFD-OTZTXRERSA-N 924.276 6.706 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@H]4[C@@H]5[C@@]6(O)[C@H](O)[C@@]7(CC[C@@H]4[C@](CO)(O7)[C@@H]6O)Oc4cccc6c4C(=O)[C@@]4(CSSCNC7=C8CC[C@@H]2[C@]15C8=C3CN7)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]4C6=O 2356824004 GQZXFAJVCJLPEP-GMPQLPSYSA-N 989.222 5.609 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356855475 RDWVKMRXFATWGM-MRDMSYCKSA-N 823.139 6.228 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@H](CCO)C#C[C@@H]3C=C12 2356862496 VBOFCWQDDZFLGN-HFHIVHNVSA-N 820.131 5.307 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@@H](CCc4ccccc4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@@H]5C[C@H](O)[C@H]6CCC[C@@]54C6)[C@@H]3CC[C@H]21 2356864227 VSQOQQFUKKRDCV-NVCDHKHTSA-N 756.175 9.366 50 1 KKGF CCCC[C@H](C(=O)O)N1C(=O)[C@@H](CC(=O)NNc2ccccc2)S[C@@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 27762607 CXIQAHVMKNGONG-QIBDARBMSA-N 589.758 6.896 50 1 KKGF O=C(/C=C/c1ccccc1)NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1 51092478 HYAHHJBISOQGQT-ZHACJKMWSA-N 520.203 6.318 50 1 KKGF Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1[N+](=O)[O-] 73224164 NQYXTDOIKZSGRP-MEWQITQSSA-N 559.090 5.828 50 1 KKGF CC1(CCC(=O)Nc2cccc(NC(=O)CCC3(C)OOC4(CCCCC4)OO3)c2)OOC2(CCCCC2)OO1 103239197 IPYQSBPTQCMUOB-UHFFFAOYSA-N 564.632 5.697 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccccc2C(=O)OC)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103292066 UEDJXTNGSFXYKG-UHFFFAOYSA-N 534.678 6.593 50 1 KKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)/C=C/C=C(C)/C=C/C=C(/C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255222899 KMCAYUSNEOYNIP-SUIQSPECSA-N 731.027 9.136 50 1 KKGF Cc1cccc(NS(=O)(=O)c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)c1C 586947614 WGLZEQKOETTWRE-UHFFFAOYSA-N 503.518 7.305 50 1 KKGF Fc1ccc(Br)c(-c2nnc(CCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)o2)c1 587156949 DHQHEMJSOKOFIN-UHFFFAOYSA-N 592.157 7.720 50 1 KKGF CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587375540 UMZUJAVDYGUIFG-QTQRRKOQSA-N 618.170 8.249 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 587680433 OBDNXHVTOKKYFG-NIVTXAMTSA-N 515.604 5.820 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587688965 OMDPONXEUFKUBR-ZCDIYMNCSA-N 562.266 6.178 50 1 KKGF COc1cc2c(cc1OC)[C@H](c1cc(Cl)cc(S(F)(F)(F)(F)F)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670660 FQAPCWWTSDJKKQ-QHCPKHFHSA-N 601.943 8.821 50 1 KKGF COc1cccc(NC(=O)[C@@H](Cl)[C@]2(c3ccccc3)c3ccsc3CCN2Cc2cccnc2)c1 962998062 NVXQXYDXCOHOLG-IAPPQJPRSA-N 504.055 5.700 50 1 KKGF Cc1cc([C@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1nc[nH]n1 963081876 UUTLTKXZGSDVPF-GXJHCLHJSA-N 794.201 7.651 50 1 KKGF CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963099996 TWTZAIOOLVMYJW-BLMQEWBGSA-N 778.394 5.408 50 1 KKGF CC(C)(C)[C@]1(/C(C#N)=C\c2ccc3c(c2)OCO3)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963242195 XMWNKQCWJQEVRQ-QFMXKBLXSA-N 732.702 7.046 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2 2356301896 ZYQOSEYXSANDRZ-JGWLMEJQSA-N 968.295 9.786 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356366057 YSRSDEHLBILRDM-DXJWXRGOSA-N 887.266 9.833 50 1 KKGF C=C(C)[C@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]34C)[C@H]12 2356654916 PKAPKLCGHVIAEA-FYNPNWPXSA-N 598.869 6.889 50 1 KKGF COCCC[C@@H]1CCCC[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC4 2356778076 LWZFDFVYXRCGRF-HPSIPYHKSA-N 919.220 5.590 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4N=CC=C4C3)[nH]c(=N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O 2356814734 CKTNMESDXWQQQU-UOMBKMPVSA-N 823.998 5.197 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CC3=O)[C@H]3C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@@H](O)C2)C4 2356824675 GXFJBQZBEQLHLL-FHCJTJIVSA-N 993.394 8.960 50 1 KKGF O=P(OCCN[P@]1(=O)OCCCN1CCCl)(OCc1ccccc1)OCc1ccccc1 26381265 YUJWOEPMSUFTPV-HKBQPEDESA-N 502.872 5.204 50 1 KKGF COc1ccc(/C=N/NC(=O)c2cnc3c(C(F)(F)F)cccc3c2N[C@@H](CSc2ccccc2)CC(=O)N(C)C)cc1O 49746071 JSURXYXAPILJCK-TXOONPILSA-N 625.673 5.783 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@@H]1C[C@@H]2O)c1ccc(NCC(C)=O)c(CO)c1 85597312 AYTRAUIWGRWFQG-VNQVILSBSA-N 760.975 7.040 50 1 KKGF biogenic,in-vitro O=C(Nc1cc(-c2ccc(O[C@@H]3CCCCO3)cc2)cc(-c2ccc(O[C@@H]3CCCCO3)cc2)c1)C(Cl)Cl 95563707 DWHHYIRNBAFNEO-VSGBNLITSA-N 556.486 7.574 50 1 KKGF N#CC1=C(N)OC2=C(C(=O)CC(CCCCCCBr)(CCCCCCBr)C2)[C@@]12C(=O)Nc1ccccc12 98082469 PJFZUFAGZONGCV-LJAQVGFWSA-N 633.425 6.895 50 1 KKGF N#C/C(=C\c1cn(Cc2ccccc2C#N)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 299818884 AMYSOCMRGSKFMH-OEAKJJBVSA-N 532.654 6.251 50 1 KKGF N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1)C(N)=O 299823362 FMZBDZSBOTTXNA-ZBJSNUHESA-N 503.652 8.006 50 1 KKGF COc1ccc(NS(=O)(=O)c2ccc(N3CCOCC3)c(NC(=O)/C=C\c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2)cc1 586954131 WRHYNMULIPZKFR-KHPPLWFESA-N 659.659 6.518 50 1 KKGF COc1cccc(-c2cc([C@H](Br)Cc3ccc(F)c(F)c3F)nc3c2oc2ccccc23)c1 587359967 JJSTVPFHCFUVOE-LJQANCHMSA-N 512.325 7.753 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587369401 GZMXIRIYSINFDE-FLBADVGZSA-N 580.077 5.766 50 1 KKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537432 FKXJYYVTBULQBL-UROILVIESA-N 522.233 5.689 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 587711246 JAFFJJQYVDVDJF-HUTHGQBESA-N 515.570 6.433 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 587712750 QLZXGUOLIRQJTJ-XLFHBGCDSA-N 560.021 6.542 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587722079 YEONFIIEWBCBKD-MCFWBGNESA-N 562.257 7.267 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3[C@H](COc3cc(F)cc(F)c3)N=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587944184 CLIFIFSFUKMMDR-BVQQLDBPSA-N 550.555 5.403 50 1 KKGF COC(=O)C(C)(C)[C@]1([C@@H](C)Br)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963013300 IJSYZXYGQPNIRS-CNGSGGLHSA-N 576.491 5.012 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@@]31C(C#N)=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)NCC(F)(F)F)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C 963059875 VSHQNLKAIKGYEM-RCGOXCATSA-N 756.954 8.913 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(CCl)c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 963614898 ZQKYPVSMBDIMCB-QMTYFTJSSA-N 517.895 6.199 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cccc(-c3ncc(C(F)(F)F)cc3Cl)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795845 KKKGWSJTSJOROX-XIFFEERXSA-N 712.950 7.825 50 1 KKGF Cc1cccc2c1[C@@](CBr)(c1c(F)ccc(Br)c1Cl)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963853203 FSKJYXBXAFQUJI-MYYSRTQBSA-N 605.726 6.825 50 1 KKGF C/C(=C\CCC(C)(C)OC(=O)CBr)[C@H]1CC[C@]2(C)C1=CC[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]3CC[C@]12C 1772597518 QAIOOECKTHKTRF-LTKUYSKOSA-N 684.594 9.342 50 1 KKGF O=C(NC[C@H]1CCCO1)c1cnc2c(SSc3cccc4cc(C(=O)NC[C@H]5CCCO5)cnc34)cccc2c1 1772626371 FXNCJJMCBRERPX-DNQXCXABSA-N 574.728 5.400 50 1 KKGF COc1cc(N[C@@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccoc1 1857759054 KJNYYSUTTCAXLM-LFFFZKQUSA-N 617.787 7.623 50 1 KKGF CNCc1cc(O)cc([C@H](NC2CCCCC2)O[C@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356352622 XMROVBDHQAOBCX-OFGIETDASA-N 745.020 9.315 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(CSSC[C@@H]7CCCC[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@]7(O)C3=CC6=O)[C@@]54C 2356365611 OSOJDQFSDGFHKG-LXJRYWLNSA-N 874.219 7.555 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2C[C@@H]([C@H](C)[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSS[C@@H]2CCCO)[C@]1(C)C[C@@H]3CNC(=N)N[C@@H](C)O 2356434635 YYCUXNYHKFNUNE-RGFXXMQMSA-N 983.440 6.749 50 1 KKGF CC(C)=CC[C@@]12C[C@H]3C[C@@H]4C(C)(C)OO[C@@H](C(C)(C)OO)C[C@@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356531184 RLEFNZSVUBRTHL-CIGOVTCVSA-N 566.691 5.739 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@H]4CCC[C@@H]4CC6)C[C@H]1CC[C@H]3C2)C5 2356657594 MNCMKZRLWJZCDE-PRCZFEFBSA-N 967.396 10.950 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356771453 YAWSGAKNUKJJGF-HSESNNFZSA-N 915.177 7.499 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@@H](O)[C@H]64)[C@@]12O 2356774790 DNUIGXQNUPKYEE-JRBCGPQOSA-N 930.379 8.776 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356814803 CLJWENGJUIOFCH-RLOUYWHBSA-N 706.971 6.914 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CC[C@@H](O)C[C@@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356839197 LRTAZGSHAYWFJZ-CTYXNIGPSA-N 984.335 6.298 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4cc(OC)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84706078 SFZURCXFMQCJIA-VWLOTQADSA-N 530.028 5.669 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2([n+]3cc[nH]c3)CCCCC2)SSC1 85596437 FMJLNWLEQZDFQY-UDNBHOFDSA-O 635.876 6.728 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@@H]2CC[C@H]1C[C@@H](O)CSS2)c1ccc(NC[C@H](C)O)c(CO)c1 85597321 OBZIPZOCXGFAGG-ALUSEJJGSA-N 762.991 7.004 50 1 KKGF biogenic,in-vitro CCOC(=O)NN(OC(=O)C[C@H](c1ccccc1)[C@@]12C(=O)[C@@](CC=C(C)C)(C[C@@H](CC=C(C)C)C1(C)C)C(=O)C(C(=O)CC(C)C)=C2O)C(=O)OCC 150533720 GXKRFFDVERCFGK-FSDKTIGQSA-N 736.903 8.049 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169354559 YCOIJPSIDUQDNN-AROIXUTFSA-N 812.448 5.694 50 1 KKGF C=C(CC[C@H](O)[C@@]1(C)CC[C@@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 238770312 ZAFALSYXVNIPJK-XXJPNKPOSA-N 587.636 5.989 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189337 BMQRXKSECHDQOE-IROVJIRSSA-N 647.754 7.753 50 1 KKGF CCCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br 587189943 GOZRZFCYEGXLJK-TZNUUNCUSA-N 698.743 8.146 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(Br)cc1I)O2 587385877 GQMIPJJAYCSAKU-QGZVFWFLSA-N 551.016 5.200 50 1 KKGF COc1cc2c3c(c1)O[C@@]1([C@H]4C[C@H]5[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]6(Cl)[C@@H]4[C@@H]5[C@]1(Cl)C6(Cl)Cl)[C@@H](C2)C3=O 587423593 UXFRCRDCLJZTTP-WTANCCGZSA-N 541.085 5.435 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(Br)ccc(Cl)c1F)CC2=O 587465822 HSPUXQADMLNQLS-LJQANCHMSA-N 506.593 6.155 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1C(F)(F)F 587551185 YFLOOROKFGOONG-NQIIRXRSSA-N 558.144 6.426 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 587678816 DDVBWNFOZJYYBX-RBSBEOHCSA-N 534.856 7.460 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 587682899 DZVXEQVLBPDOMQ-BDJFWFNGSA-N 528.293 6.138 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc12 587687361 GEELYFRAHCXWLT-YFONVMMFSA-N 527.821 5.525 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O 587940858 QBKBGCBJNZQEKI-HZMZWCLISA-N 813.386 5.001 50 1 KKGF O=c1c2ccccc2c(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1CC1CC1 653843473 CDONIOUMKFCNRI-UHFFFAOYSA-N 609.730 7.627 50 1 KKGF C[C@]1(c2ccc(COCCl)cc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962403177 LFRTYMKDEVEFDG-NDKRRWIDSA-N 569.057 6.318 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)c1ccccc1C[C@@H]1CN(c2ccccc2)CCN15 962626150 GJKDGNGDVIWWIC-CYYOHGSXSA-N 701.323 7.176 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)c2c(F)cccc2C[C@H]2CCCN21 963106246 JYYYFVGWSIKZRC-SWVLQBLRSA-N 616.601 6.222 50 1 KKGF O=C(Nc1cccnc1)[C@H](Cl)[C@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830930 FEZSPOHTIBKXTD-IZEXYCQBSA-N 523.036 5.777 50 1 KKGF CN1CCN(CCOC(=O)N(Cc2ccccc2Cl)c2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)CC1 1772643349 PFLIOJJUNMKQGM-RUZDIDTESA-N 647.405 5.613 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857576616 YZPNBVCPXOHDSB-INIZCTEOSA-N 529.427 5.406 50 1 KKGF Cc1c(Cl)c(=O)oc2cc(OCCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)ccc12 1857635277 WXKRGDNJGYVDPP-NQWSXHCKSA-N 535.033 5.748 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(Cl)cc4)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(Cl)cc4)cc23)cc1 1857644738 VQAMDLCEVUFIAI-UHFFFAOYSA-N 791.790 8.707 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@@H](C(C)(C)OC(C)=O)O1 2356307107 XJNZVDMVCHYTDM-ZHDXOZRSSA-N 689.725 6.325 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@H](CSSCc1cc(O)c(OCCNCCC(C)C)cc1[C@@H](O4)[C@H]3COC(C)=O)C2 2356351054 OPTDNFMJZVTDDZ-LNFMZTNWSA-N 651.847 7.103 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@H](CCNC)Cc2cccc(c2)C1 2356354940 AVESQOFIRGERKA-YXCPJLDASA-N 718.036 5.132 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@@H](C)O 2356360776 NXBNVXWYSWMPRL-GFPOPLMXSA-N 925.360 6.608 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C[C@H](NC(=N)N)CSSC4)O[C@@H]21 2356444951 PEERDASTVYCOSA-XNHWBQLWSA-N 706.887 5.721 50 1 KKGF CCCCCCCC[C@@H]1CC2=C(C[C@H](CCCC=CCOC(C)=O)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356496973 VBECZCIXKOXEHS-LEWJYISDSA-N 532.630 5.289 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356665400 FWGOBHRCYWDLJQ-LFZPSGEBSA-N 781.098 7.270 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c(O)c(OC)c1O 2356704459 VHXIVTKGIICTKI-WOYJWRJPSA-N 656.819 6.278 50 1 KKGF COc1cc(O)c([C@H](C=Cc2ccc(O)cc2)C[C@H](CCc2ccc(O)cc2)OO)c(O)c1C(=O)C=Cc1ccc(O)cc1 2356753008 MPNYQBPECDEHJJ-IRPSRAIASA-N 598.648 6.797 50 1 KKGF CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/NC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)CC[C@]4(C)[C@H]3CC[C@]12C 5542709 BTFNYAYBMALJRU-OCTMWCKJSA-N 579.741 7.052 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 13834891 RWYUFFSYQKUPHX-GHDQKHCPSA-N 505.699 6.379 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ncc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC 27638509 NFBBHXNXFUAXAY-IBGZPJMESA-N 649.060 5.720 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc([N+](=O)[O-])cc1)OCc1ccccc1 84618151 LPZMLMHRLOMORI-VWLOTQADSA-N 569.705 6.719 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)C2(CCCCC2)SSC1 85596464 HPRJYVPDOMAMAK-MFUYTVRRSA-N 554.778 6.871 50 1 KKGF biogenic,in-vitro CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(O)c1)C(=O)Nc1ccc(C)cc1-2 101045739 FFVOKMFWWBHGDO-OZMIJRPQSA-N 523.253 6.575 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 103250412 DYRLGYVVLPUPAZ-NJZYRYFJSA-N 579.738 6.279 50 1 KKGF CCCC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 150349194 SUTNHCHSAKGWCE-QYFIMTIWSA-N 803.083 8.991 50 1 KKGF biogenic,in-vitro CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(CC)cc1)C(=O)Nc1ccc(C)cc1-2 299807171 GEDRXCHKRWDGSX-LJQANCHMSA-N 535.308 7.432 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299819218 UXZCKFPBCBHVFY-AWEWDGGDSA-N 897.148 7.237 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 299826684 NAHXECAGIFJKER-HRFSGMKKSA-N 561.086 5.780 50 1 KKGF Cc1ccc2c3c(c(CCN4C(=O)c5ccccc5C4=O)c(CBr)nc13)-c1ccccc1C2=O 586993793 PCSMPVYIJJXLDJ-UHFFFAOYSA-N 511.375 5.488 50 1 KKGF COc1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(F)F 587332350 SBRNRJDXSMPURE-XUZZJYLKSA-N 523.301 5.791 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 587539710 XRPKECBVTJTIMU-QPPBQGQZSA-N 547.188 6.606 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587552527 AIRAHYLRTLWNDN-BBMCKNDYSA-N 679.181 6.640 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 587674232 VFHOJNNUWCLRKJ-IQMFZBJNSA-N 505.225 6.553 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587847783 HIJFDJYNPHDZSO-IIMAJNMQSA-N 532.437 6.587 50 1 KKGF CCOC(=O)c1c(C)noc1[C@@]1(CBr)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962681716 WWYFCNCHIPWJIB-AREMUKBSSA-N 611.411 5.533 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2cc(F)ccc2O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962712293 OLMFRJGJUUZKQG-LWQYYNMXSA-N 694.548 6.287 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2ccc(N3CCOCC3)cc2)(C(Br)Br)N1 963197150 MTQBUABXSAXWAZ-KKSFZXQISA-N 612.668 5.154 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@]2(CC[C@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963241629 WJURELALDVHRLD-PFPZSTESSA-N 579.949 5.066 50 1 KKGF CCCCCc1cc2c(c(OS(=O)(=O)c3ccc(C)cc3)c1)[C@@H]1C[C@](C)(OO)C=C[C@H]1C(C)(C)O2 1857652816 JROLWGYWXKMHHA-MVOZIGHISA-N 500.657 6.574 50 1 KKGF CCn1cc(C(=O)N/N=C/c2ccc(F)cc2)c2cc(-c3nc(CN4CCC(C)CC4)cs3)ccc21 1911571597 YBOQWIOSDNAARQ-FJEPWZHXSA-N 503.647 5.920 50 1 KKGF CC1(C[C@@H]2CC[C@@]34CSSCc5cc6c(cc5C(N)N)C#CCc5[nH]ccc5C(=O)C[C@@H]6c5cc(ccc5O)CCOc5cc(ccc5O)CCC(=O)C=C[C@@]2(C[C@H]3O)C4)CCCC1 2356355171 DQWNVGFETRFCNN-APCQQGFMSA-N 900.220 9.737 50 1 KKGF COc1cc2cc(c1O)CN1C(=O)C[C@@H](C[C@H](NC(=N)N)CSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)[C@H]1CCC(C)C 2356355674 VFMOMFGRYDWKGC-AARHSHDHSA-N 680.978 5.757 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)cc(OC)c1O 2356435585 HLNBKOPLEPRLGJ-SGVYBONASA-N 666.858 7.105 50 1 KKGF CC1=CC[C@H](Br)[C@]2(C)CC[C@H](Br)[C@](C)(O)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12 2356531430 YWILZCJCOZQWNP-LZFFIZBLSA-N 665.301 7.458 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@H]4C=C[C@@]12C[C@H]4C3 2356778720 CEJVZGWIGLXKQA-MGZSIQQUSA-N 724.133 10.681 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@H]1[C@H]3[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNc2cc(ccn2)[C@@H]1CN1C(=O)C=CC1=O 2356778776 DJMZQIIYOJBLOA-ZOJIGTCESA-N 711.906 6.982 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356818102 DQNCTSKBYQCDBT-ZNALJLQQSA-N 759.991 5.961 50 1 KKGF CCCCCc1cccc(C[C@@H]2C[C@@H]3[C@H](O)C[C@@H]4[C@H](CCC45CCCC5)CSSC[C@@H]4CC=C5OC(=C6OC(=O)C(CO)=C6OC)[C@H](CO)[C@@H]5[C@@H](C2)N43)c1 2356841134 NFCFCKOCJHZDCC-HNLVNRGBSA-N 780.106 7.716 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@H]([C@H](C)Cc4ccccc4)CCCC[C@H]3O)C=C12 2356861996 UVVBSFOHJYQLDR-VIZCYMNFSA-N 894.257 7.804 50 1 KKGF COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ncc([N+](=O)[O-])n5CCO)c5ccccc5c43)[nH]c2c(OC)c1OC 27638002 XQNXYZVOXZQEPA-HXUWFJFHSA-N 679.086 5.175 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)C[C@@H]2C=C[C@]1(C3)OC(=O)[C@@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1ccnc(N)c1CSS2 85593950 JTCKOCDJPKWDEH-SGOZLYTMSA-N 686.812 5.418 50 1 KKGF biogenic,in-vitro Cc1ccc([P+](CCc2ccc(CCc3ccc(CC[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95551723 XNGRXLYITZLKBM-UHFFFAOYSA-N 845.104 12.396 50 1 KKGF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)cc2)no1 95606177 SGMOJJNPLLNCHT-UHFFFAOYSA-N 776.900 7.185 50 1 KKGF CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@H](C(=O)OOC)[C@]5(C)O1)CNC3=O 103589455 WMBUVOLZSWTKMP-TUQFTLKDSA-N 615.777 6.978 50 1 KKGF in-vivo NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@](CC[C@H](CCc4ccccc4)C[C@H](O)C4CCCC4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O 150349129 YUHYOUGYPUWRRA-QMLIBHHCSA-N 1021.380 10.742 50 1 KKGF biogenic,in-vitro CCc1c[n+]2c(cc1C1=CN3c4ccccc4[C@@]45CC[N+]6(CCl)CC7=CCO[C@@H]1[C@@H]([C@H]34)[C@H]7C[C@@H]56)-c1[nH]c3ccccc3c1CC2 205837972 MIHNYAMJHRMQAK-JBDGPASLSA-O 615.221 6.482 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)[C@H]4CCCNC4)[C@@H]3CC[C@@H]2C1 299847718 CCSNJCXSNTXCPB-BBVLHWIISA-N 517.915 7.786 50 1 KKGF O=C(NN=C(c1ccccn1)c1ccccn1)c1ccc2c3c(ccc2c1)N1Cc2c(ccc4cc(C(=O)NN=C(c5ccccn5)c5ccccn5)ccc24)N(C3)C1 299854712 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CC(C)(F)[C@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587087211 NBHSMTHLTHBPMI-JOCHJYFZSA-N 525.330 6.029 50 1 KKGF 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](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 587128162 JGYFIWKNHPPJCA-SYKYGTKKSA-N 963.862 5.363 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)c1cc3c4c(cccc4n1)C(=O)c1ccccc1-3)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587206136 HHUIWYJNYRECDN-MNCAYDCOSA-N 954.167 8.124 50 1 KKGF O=C(N[C@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 587221093 FOKNVDPGPVCUTK-AREMUKBSSA-N 650.467 9.611 50 1 KKGF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587264866 UURUGSFULRKRSN-SECBINFHSA-N 560.295 7.242 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Br)C1 587321734 DYASETSXHGHWJW-ROKPMTFOSA-N 506.368 5.033 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323553 RTRQBJIPCAZWOA-BGWNEDDSSA-N 519.750 5.677 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl 587533473 UNMBWACLOGYWTB-JOCHJYFZSA-N 532.283 5.921 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)N1 587669865 GMRGSYYSEZJZCE-SDXDBNRQSA-N 582.149 7.266 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587672114 XTRSFLSDBZUAHQ-ZQNCRGTDSA-N 577.288 6.030 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 587674591 XWKQFQYLUDWVOS-RZFZLAGVSA-N 601.141 7.055 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(NC3(CC3)Cc3ccc(Br)cc32)[C@@H](Br)C1 961615533 PDBAZDJHAWPGFF-LDBYXDLTSA-N 500.275 5.163 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1O 962473241 HWIDHKXNDRUSPC-CPBHLAHYSA-N 569.057 6.147 50 1 KKGF Cc1cc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(C)cc1Br 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CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)NNC(=O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 28231084 YBKQGIVRWXQJJS-PFESQZPFSA-N 669.767 7.139 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 58692525 YATYPXRGTQGFLI-JBTUTZCFSA-N 578.878 9.873 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@@]1(CC#C[C@H]5/N=C(\N)N[C@@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@@H](O)O4)CC3(CCCC3)CC[C@H]1CC[C@@H](CO)OC)CC[C@@H](O)CC(=O)CC2 150348315 FNUXVUFAYOGWDY-IYOHBYBUSA-N 987.339 6.592 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]([C@@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169293987 GZJIPMCINQOOAP-IYUKPRRXSA-N 576.727 5.447 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)NCCNC(=O)[C@H]1CC[C@@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)C2=CC(=O)[C@H](C(=C)C=O)C[C@@]21C 169369931 GCAGMRISHGRVDH-SCFKYTNGSA-N 885.152 7.961 50 1 KKGF CN1C(=O)[C@@]23C[C@]4([C@]56C[C@@]78SS[C@](CO[Si](C)(C)C(C)(C)C)(C(=O)N7[C@H]5Nc5ccccc56)N(C)C8=O)c5ccccc5N[C@@H]4N2C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)SS3 170182249 HVIFCIHBNFTNJQ-CVQRZJKKSA-N 925.386 7.393 50 1 KKGF [C-]#[N+][C@@]12CCC(=C)[C@H]3[C@H](CC(C)(C)NC(=O)CN(CCC(C)C)C(=O)c4ccncc4)C[C@H](C)[C@@H](CC[C@@H]1C)[C@@H]32 473157274 VAMPCQZEHOFSKE-WOHQYBJISA-N 546.800 6.797 50 1 KKGF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587080519 PSBGUGZGMSMDRT-CYBMUJFWSA-N 515.733 7.360 50 1 KKGF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587150797 SPVXJGZOECTCDU-GOSISDBHSA-N 522.312 8.323 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4ccccc4)[nH]c3cc21 587188848 WIAPBRCOYIXJLW-MTJSOVHGSA-N 583.556 6.046 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190695 MULUDHYNERHWIT-MRUJLHLNSA-N 630.752 7.009 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 587333410 VUCYORFITANEDR-WNJJXGMVSA-N 541.953 7.033 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 587369791 OUDKFINSLGOEOL-IAPPQJPRSA-N 555.027 5.079 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2sccc2Br)[C@@H]1c1ccc(F)cc1 587376853 QHSFTWNVVIMAEF-XLIONFOSSA-N 512.194 6.005 50 1 KKGF O=C1C[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)Oc2c1ccc1c2CCCC1 587501097 WEDSIJSUKJCIFR-QHCPKHFHSA-N 507.211 6.783 50 1 KKGF COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587541322 AVXNJVALNJNCHS-QUFBTCJSSA-N 502.950 6.247 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(I)c2)N1 587737377 FCPCIYZWBXYJDE-BMLIUANNSA-N 539.024 5.366 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 961776156 KUNILNILXNCYJS-GDLZYMKVSA-N 508.062 5.927 50 1 KKGF C[C@@H]1Oc2ccc([C@]3(CBr)c4ccncc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)cc2NC1=O 962478745 XVHKDMDPMBXIKR-UWZICQBRSA-N 654.517 5.700 50 1 KKGF COc1ccc2c(c1OC)[C@]1(C=CC[C@H]3[C@H](N(C)C)c4onc(OCc5ccccc5)c4C(=O)[C@]31O[Si](C)(C)C(C)(C)C)N(C)[C@@H](C)C2 962620369 HGPOZBLPIWCJSE-VUNPOODDSA-N 673.927 7.178 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(c2c(-c3ccccc3Cl)[nH]c3ccccc23)N1 962696637 AFOBWCLEWXELOW-SQJMNOBHSA-N 537.340 6.728 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ccc(Cl)s2)N1C(=O)c1ccc(Cl)cc1 963011885 OSPIQFLFUVMENG-MHECFPHRSA-N 519.837 6.170 50 1 KKGF O=C(O)c1cccc2c1CCN[C@]2(c1ccc(F)cc1)[C@H](Br)[C@H](Br)c1ccc(F)cc1 963131134 MOBRUEVGGHXSTC-AKFKNWHVSA-N 551.225 5.952 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)c4scnc4C[C@H](C(=O)O)N3C(=O)OC(C)(C)C)c2C)cc1 963142716 LFDYBAFHVFUOGS-ZBLYBZFDSA-N 560.072 5.066 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCl)(c2cc(OC)c(Br)cc2O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963366460 LRICWTACXKPKBW-ZBWWXOROSA-N 678.963 6.700 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](c2cccc(C)c2)([C@H](C)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369992 ZYYVULDEWUBVSO-ZJUJTUKISA-N 626.547 7.076 50 1 KKGF CCCC[C@@H]1C(C#N)=C(C)NC2=C1[C@@]1(CC(C)(C)C2)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963806317 GPIODIAMHFOLGT-TWEZTRHFSA-N 606.767 6.929 50 1 KKGF Cc1cc([C@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 963817484 NHDVFYFKMCMENC-HKBQPEDESA-N 541.051 6.691 50 1 KKGF CCOC(=O)C(C)(C)[C@]1(CBr)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963918618 ZTTRQURDCDFUCH-DEOSSOPVSA-N 550.885 5.008 50 1 KKGF O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CN(C(=O)C(Cl)Cl)C/C1=C\c1ccc(Cl)c(Cl)c1 1911581944 QFVYSOFAARAUND-ACFHMISVSA-N 524.058 6.982 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 2356389616 AQZAOIHQVLJPQD-QGGOPRKOSA-N 689.259 11.216 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC2=C3CSS[C@H]4C[C@@H](C#CC2)[C@H](NC)[C@@H]2CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]3[C@@]13Cc1cc5ccc(=O)oc5cc1O3)[C@@H]42 2356477811 IRHOMWWFQCEXGY-NJTNYBAYSA-N 750.943 5.175 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@]47C=C[C@H]6C[C@H]4CCC7)C[C@H]1CC[C@H]3C2)C5 2356645236 JKTZXSNJFDBLEX-PABMINCCSA-N 991.418 11.431 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356713566 MIYUFHDXGRVYCA-VTCAYODBSA-N 924.328 6.381 50 1 KKGF CNCO[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2 2356737902 ZEUQBIFAHBTMED-WPKRCUIDSA-N 567.773 6.834 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSS[C@H](CCCO)[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@H](O)C5 2356768916 XUBXLRQUZPIAQW-FWXSCRCUSA-N 882.239 7.140 50 1 KKGF COc1ccc([C@@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 28220407 GJXMMBIBMMTSSM-ACHIHNKUSA-N 711.048 5.349 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873525 UUKNORQZGYMTDU-BJKOFHAPSA-N 661.796 6.774 50 1 KKGF CCOc1ccc(OOc2ccc(OCC)c3cc4c(cc23)[C@]2(C)CCC(=O)c3coc(c32)C4=O)c2cc3c(cc12)[C@@]1(C)CCC(=O)c2coc(c21)C3=O 49899622 MYYHLHILLRDLHO-GWRSVMHXSA-N 722.746 9.003 50 1 KKGF biogenic C[C@@H](C(=O)Cc1ccc2ccccc2c1)[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 64649420 VZCGLIQLXYEITP-IZYJBFCISA-N 557.674 7.874 50 1 KKGF CN(Cc1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1)Cc1ccc([N+](=O)[O-])n1C 73224640 FNWWIOIFJWSBQR-YDYPUGOESA-N 544.055 5.683 50 1 KKGF C[C@@]1(O)CCC[C@H]2c3c(c4c5oc(c(Cc6ccc(NO)cc6)c(=O)c5c3OC3CCCC3)[C@H](O)C[C@@H](N=C(N)N)CSSC4)O[C@@H]21 85594358 XKMRDHOVSRVVSD-ASWNAOQPSA-N 682.865 5.246 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 254144243 JEVRXFJEOXKKDH-QXUYBEEESA-N 712.891 7.254 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191986 ZYNQINYRBKFTJB-OIRWHXDVSA-N 665.875 7.826 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330005 ZMQXZWNQRSIBQA-KHWLMVAYSA-N 749.659 7.943 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 587673607 OQXQCFIILGQMCY-CHAGWJKLSA-N 586.299 6.594 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N1 587684595 LGIBFXFLOWTLJN-STNVRERYSA-N 545.880 6.094 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 587712158 OENUOBFZKYTGLO-VVVCHXIZSA-N 560.021 6.542 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 587734075 MTZNAWLRNUOKEP-SXBQZSJRSA-N 501.802 6.892 50 1 KKGF CCCCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653700280 MYPBSZSVQARTIM-NRFANRHFSA-N 568.914 6.231 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1cccc([N+](=O)[O-])c1 963181971 BVVNDSQOSCTKER-LBHUVFDKSA-N 652.103 7.338 50 1 KKGF FS(F)(F)(F)(F)c1ccc(N=c2[nH]c3ccccc3[nH]c2=Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1 1857557403 FLJGATJTZNBGDM-UHFFFAOYSA-N 564.474 9.276 50 1 KKGF COC(=O)N(CCCCNC(=O)OCCOCCN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@H]1O4)CCCNC(=O)OCCOCCN1C(=O)[C@H](C)[C@@H]2CC[C@@H](C)[C@@H]3CC[C@@]4(C)OO[C@]32[C@H]1O4 1857744120 QYBNNIBVKRCSGT-UWUQNTSPSA-N 994.190 5.099 50 1 KKGF CC(C)(C)c1cc(/C=N/NC(=O)Nc2ccc(Oc3cc[nH]c4nccc3-4)c(F)c2)cc(C(C)(C)C)c1O 1857771193 XWTBJTLIOXBFIT-MHDJOFBISA-N 517.605 6.902 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@@H]1CSSC3 2356292740 WISRFKOVVQERKG-JWVGUJCDSA-N 971.295 10.282 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@H]5CCC(=O)OCC)[C@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356308385 PUMLRJLEIVTIEX-FMVBGNPTSA-N 632.717 5.416 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(O)CCNC)C1(CC=C(C)CNCC)CCCC1 2356351757 FNTNGYWKQSXXRR-JVPQUTLESA-N 650.945 5.342 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@@]12O 2356362075 AGTOZYFPMXFTIU-PSVHUSRRSA-N 837.290 10.291 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@@H](C)[C@H](O)c2cc(O)c1c(O)c2 2356404415 NEHSJAVXGQMVJK-DCTKVSEGSA-N 637.729 10.523 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356564369 MMORFHDQAMJRTE-ZVIWIJHBSA-N 813.133 6.336 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5C[C@H]6CC[C@@H]7CCC[C@@]7(C6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356572270 VLTLZRTZWGDBSQ-YSAMPKBXSA-N 984.427 8.355 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356585761 BAFWHSPNZQRTJO-YGCDKKBRSA-N 771.143 7.455 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@H]4C1=C1C[C@@H](CC#CO[C@H]43)CC[C@@H]51)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356774947 FVMMVESVLZSFHQ-SWVUINNQSA-N 825.194 8.875 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=C5CN(C=C5N=C2)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)CC1 2356844644 NXNBSRDHXAWEPF-DFOJQLOZSA-N 829.101 7.147 50 1 KKGF ClCCN(CCN/N=N/c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)c1ccc(Cl)cc1 28646531 KFZQAVCLGQSQOZ-UHFFFAOYSA-N 514.848 7.014 50 1 KKGF CC1=CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@]3(C)CC[C@H](OC(=O)c4ccc(O)c(c4)C[C@H]12)C(C)(C)O3 49775135 BVFIVKIJYQDATJ-ZUTMMEPKSA-N 584.389 7.101 50 1 KKGF Cc1cc(OCc2c(-c3c(Cl)ccc(=O)n3C)noc2[C@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622158 IUWIVPGQCMCERV-INIZCTEOSA-N 566.441 6.738 50 1 KKGF Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@]3(c3ccc(S(F)(F)(F)(F)F)cc3)C2)n1C 101355885 HPGPGSLIDVUPKR-IIBYNOLFSA-N 521.581 6.192 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](C[C@]3(Cc4ccc(F)cc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253693013 XKKWJFZWAWKYNA-JYGDZUILSA-N 656.744 5.906 50 1 KKGF CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](OC(=O)C(Br)Br)C[C@@H]1CC3 255284086 YERYMYTVRYIPQM-FNKWKHFXSA-N 598.504 9.510 50 1 KKGF CC(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)CC2)cc1 586954707 HZDWZRDRLADSPF-UHFFFAOYSA-N 509.566 6.912 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191296 SLJRTZBSVMNMOU-IROVJIRSSA-N 597.747 6.873 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1OCc1ccccc1 587327316 OYPYFGQFZGXSDI-XRKRLSELSA-N 505.973 6.072 50 1 KKGF CC(C)COc1cccc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587566107 VJFXCRALMLAULI-UHFFFAOYSA-N 501.315 7.597 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 587846740 REMSRLHHTLCBEB-YEBMWUKDSA-N 546.849 5.577 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(I)cc(CBr)c1 587894802 AWOBXIZVRDXNSA-UHFFFAOYSA-N 537.022 5.203 50 1 KKGF C[C@@H]1CC2=C([C@H](c3ccc4c(c3)OCO4)C(C#N)=C(N)O2)[C@]2(C1)c1ccncc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962403849 LWXUHCOIJCEUNH-SIIARFFBSA-N 694.744 6.458 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677617 QSZYSEBUFPBICN-DFHRPNOPSA-N 583.047 6.255 50 1 KKGF CCc1cccc2c([C@@]3([C@@H](Cl)c4ccccc4)c4c(ccc(OC)c4OC)CCN3C(=O)c3ccc(C(F)(F)F)cc3)c[nH]c12 962679022 SLRHHSLNUXDNBL-LRHLLKFHSA-N 633.110 8.689 50 1 KKGF O=C(Nc1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1Cc2ccccc2[C@@]2(CCCC[C@@H]2CNCCBr)N1 963020914 ODSKGUIDXDGYCU-DDQPALIESA-N 573.535 5.204 50 1 KKGF COc1ccc2c(c1)[C@](CBr)(c1cc(F)ccc1S(C)(=O)=O)N(Cc1ccc(F)cc1)CC2 963291003 ZWHGRBKRBZDDOH-RUZDIDTESA-N 536.438 5.074 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](c2ccc(C)cc2)([C@H](Br)C(=O)c2ccc(C)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948929 ZOMPPMQPAGLAPW-MWNVLDDHSA-N 790.846 7.330 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1 1772651196 XKDMUXOYTMVTBO-GGFGSRELSA-N 543.454 6.322 50 1 KKGF COc1ccccc1NC(=S)NNC(=O)c1ccc2[nH]cc(C(c3ccc(C)cc3)c3c[nH]c4ccc(C(=O)NNC(=S)Nc5ccccc5OC)cc34)c2c1 1857758379 ICNRQFLODJMZJW-UHFFFAOYSA-N 782.952 7.418 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356301548 WUNFWIMQTVHCBK-NHAGPDJJSA-N 994.333 10.176 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1Cc2cccc(c2)C[C@@H](C)NCC2=C[C@H]1CCC2 2356357861 VGLJIRRXURVOGW-XAPIKDTHSA-N 701.005 5.933 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCCC(O)(O)C2)C[C@H]([C@](C)(O)[C@H]2CCN(CCCOC)[C@H](CC)C2)O3)O1 2356375925 MSBBLZDGBKDJQF-AOMHDNQYSA-N 901.063 5.161 50 1 KKGF CC(=O)O[C@]1(C)C(=O)O[C@H]2C[C@H]1C[C@@H]2[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@H](OO)C1=C(CC3)C(C)(C)OC(=O)C=C1 2356489002 GOYJHQBWJDXLDK-UDFHHVCNSA-N 554.680 5.613 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@H]3O)CC[C@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356508990 XRUJBDXOZFJXHA-AKXLKWIESA-N 875.074 9.491 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356558432 ACRMTHSZHIGDGF-MIYXWFHDSA-N 655.380 9.155 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]34C[C@@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356566777 UACUEVLXHNSVNW-DHYLYSJTSA-N 786.208 7.666 50 1 KKGF CCCC=C[C@@H]1OC(C)(C)O[C@H](C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356682536 NAANPMTYGDOOLH-CUMBJBRHSA-N 847.203 9.799 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@@H](O)C5 2356727707 PGBGECXYHSPSPK-KFKYJXLMSA-N 878.251 8.169 50 1 KKGF CCC=CCC=CC=CC=CC=C[C@@H]1OC(=O)CC[C@H](Cl)C=C[C@H](O)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O[C@@H]2C[C@H](C)[C@H](O[C@@H]3CC[C@H](C)[C@H](O)O3)[C@@H](C)O2)[C@@H](C)O1 2356791084 GJUOJLYCKBKRHR-IWXSFOKYSA-N 765.381 6.311 50 1 KKGF C[C@H](CC=Cc1ccccc1CCCNC1CCCC1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356831553 JQGHHYOFBOSHOK-IBISMEHISA-N 997.202 6.374 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@H]1[C@H]3[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNC2=CC(=CCN2)[C@H]1CN1C(=O)C=CC1=O 2356874720 YYPGCROZKYDYLW-IBUUFYLNSA-N 713.922 5.968 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OC[C@H](O)CO)c3ccccc43)[nH]c2c(OC)c1OC 26501929 OVPDUDJBKVJTPN-FYYLOGMGSA-N 735.146 5.719 50 1 KKGF COc1cc(/C=C(C#N)/C(O)=N/c2nnc(-c3ccccc3)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 36243064 CKZLGKCFMHKADP-YBFXNURJSA-N 604.532 8.025 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1CCCCC1)OCc1ccccc1 84635575 KFMLRAIAFITFPN-DEOSSOPVSA-N 515.745 6.516 50 1 KKGF C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NNCc1ccccc1 95614839 WIUCCGNSSPQKMC-XUADYOSJSA-N 790.962 6.080 50 1 KKGF CCCCCCCCCCCCOC(=O)CCSSCCC(=O)OCCCCCCCCCCCC 95619942 OHCIBJNNZNPROG-UHFFFAOYSA-N 546.924 10.076 50 1 KKGF endogenous,in-man O=C(N/N=c1\scc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 103297008 UQOUTCVHFOAYJH-GNVQSUKOSA-N 507.402 6.413 50 1 KKGF CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C 169366391 LCJOSIBQVUSWIH-WJDCIDSGSA-N 534.693 7.064 50 1 KKGF in-vitro FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCNc3ccc(Br)cc3)nc2c1 586995253 ICSOERCJWHDSNE-UHFFFAOYSA-N 521.147 7.400 50 1 KKGF FC(F)(F)c1nn(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C2CC2)c1Cl 587117512 SYCYSWKUCIVWNS-UHFFFAOYSA-N 559.708 7.972 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(C34CC5CC(CC(C5)C3)C4)c2c1 587617175 BQJWCQYWSZDSDX-UHFFFAOYSA-N 530.046 6.092 50 1 KKGF COC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@@H](O[Si](c5ccccc5)(c5ccccc5)C(C)(C)C)C4)O1)[C@@H](C3)C2 621485881 RIMOIIMPNYKBSZ-XSAGLHOKSA-N 576.806 5.876 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962571675 NWTCHPNOKKQHFW-FFUXEPPCSA-N 703.198 8.148 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc(Cl)cc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632088 RCYZJQWFQMYNID-HEHLMWRFSA-N 597.495 6.279 50 1 KKGF Fc1cc(Br)c(Cl)cc1[C@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963117035 CBVZNXUMQRPRRR-MRXNPFEDSA-N 502.436 6.333 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229345 VCMHKQQAESUWHA-IJVFHPRESA-N 745.144 8.174 50 1 KKGF COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](OC(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)O[C@H](OC(=O)[C@@H](N)C(C)C)C(C)C)C(C)(C)C 1857538654 YOHNRXJNQMSDBT-RGGJFFAYSA-N 920.118 5.881 50 1 KKGF CC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2ccc(COC(=O)CCC(=O)N[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc12 1857542446 VOUYGYYKFPVIPF-BCZWWMMMSA-N 711.187 6.255 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccccc3C#N)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857553406 VHJPNHJKNFHQIT-ILLCYOTFSA-N 607.479 5.274 50 1 KKGF COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N/N=c2/scc(-c3ccccc3)n2-c2ccccc2)cc1 1857556600 QDDGMCGMGPXMGW-NWBJSICCSA-N 543.652 6.313 50 1 KKGF COc1ccc2[nH]c(C)c([C@H]3C(C#N)=C(N)Oc4c3cc(/C=C/C(=O)c3ccc(C)cc3)cc4C(C)(C)C)c2c1 1857644030 UTOPYZYGVYACKZ-JLBZDQGGSA-N 531.656 7.205 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)CC2CCCCC2)[C@H](Cc2ccccc2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356309211 MNYWYBWYNWXDNL-RLGHTJSMSA-N 637.996 9.103 50 1 KKGF CCCCCC[C@H](Cl)CCCCCc1c(O)cc(CCCCCC[C@H](Cl)CCCC)cc1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 2356334818 NYUHMGANIQYFOK-BOWQYRSUSA-N 633.738 8.181 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356351152 RDKHWRZFYDQRQQ-MPVKWCMYSA-N 773.068 5.290 50 1 KKGF 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Cc1cccc([C@@]2(CCCCCCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963227634 DCODFLKMKAIFBE-WOGQQFDQSA-N 700.144 7.820 50 1 KKGF O=C(NO)c1ccc(OCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1772596776 RAOBXLGIBWVQQY-UHFFFAOYSA-O 570.690 7.005 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccccc4Sc4cc(/C=N/NC(=O)c5cccnc5)ccc43)nn2)cc1 1857608261 BAKVDKPUKWZBCL-MHDJOFBISA-N 542.628 5.160 50 1 KKGF CCOC(=O)c1cc2ccc(OCCCCCn3cc(CNC(=O)CCCC[C@H]4CCSS4)nn3)cc2oc1=O 1857744547 HDMAYLYHDNPDSV-QHCPKHFHSA-N 588.752 5.141 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C)CSS[C@H]3C=Cc4c(ccnc4N3)C2)CCCC1 2356292156 MQEJZJSSWXKNBZ-CJWINGCFSA-N 654.898 8.691 50 1 KKGF CC(C)=CC[C@@]12C[C@@H]3C[C@@H](C(C)(C)OO)OO[C@]3(C)C[C@@](CC=C(C)C)(C1=O)C(O)=C(C(=O)c1ccccc1)C2=O 2356332433 DWXZAOPXBPXHQB-GKJRSGPOSA-N 566.691 6.676 50 1 KKGF 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CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNC3=CC(=CCN3)C2)CCCC1 2356837832 LNNLRSZKMBUXHB-UCVIKQAPSA-N 674.929 7.306 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356837981 LPBXOWKVOYZSER-VSCHEDFWSA-N 826.094 7.627 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356871462 YBGMGVBVSRDZFV-VZVNJHCJSA-N 768.014 7.138 50 1 KKGF COC(=O)c1cc2c3c(cc(O)c2[nH]1)N(C(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1)C[C@H]3CCl 49114317 JUSPCYOMPZWDIT-LLVKDONJSA-N 507.852 5.023 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)N[C@@H](Cc5c[nH]cn5)C(=O)NN)CC[C@]4(C)[C@H]3CC[C@@]21C 58503332 HEIMOAMQOSNFRJ-RLJQWGKPSA-N 581.846 6.447 50 1 KKGF 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COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]3CCC[C@@H](C3)SS2)c1O 2356422421 BZHSFORLXUKRHU-CRPSCDQTSA-N 795.029 8.149 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 2356430628 XIVXPMQGWQOMTQ-XHPOPLMVSA-N 964.260 8.021 50 1 KKGF COc1cc(C2C(C(=O)O[Si](C)(C)C)C(c3ccc(O[Si](C)(C)C)c(OC)c3)C2C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C 2356658396 QWBLGDARZQUVPF-UHFFFAOYSA-N 677.104 8.001 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@H]1SS[C@H]3C=CC[C@@H](CC[C@H]4Cc5c(c(OC)cc6c5[C@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 2356753952 QZYOKYZZNZSPPP-DPGSIHJTSA-N 670.849 7.447 50 1 KKGF C[C@@H]1CC=C[C@@]2(C[C@H]3CC#Cc4c(O)cc5cc4C[C@H]4C[C@H]6C[C@@]2(C=C[C@@H]6SSC[C@@H](C)NCc2ccccc2C5)[C@H]4C3)C1 2356768405 NRMLGLTWKIRDSV-PWBUKTPJSA-N 621.956 9.104 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356775565 NGMZJWKQBGPKHP-KBKLZFELSA-N 937.362 11.120 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356823614 GFUXVTNHSPSFTC-OJQOYZPQSA-N 816.079 5.959 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@]12O)[C@@]3(C)[C@@]12C[C@@H]3Cc5cccc(c5)N[C@H]([C@H](C)O)CSSC[C@@H]3[C@@H]1CC[C@H]4C2 2356856283 RZJVIQQDROCCFS-PEOJTKCSSA-N 597.887 5.835 50 1 KKGF CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCI)C/C(=C\CCCC(=O)O)C[C@H]12 3920361 DJIYXYQVQHFZSA-VQMKEPILSA-N 552.493 5.130 50 1 KKGF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 26577322 RFNUTMXSNZMOSL-MAYUVXGISA-N 718.795 5.656 50 1 KKGF C=C(CC[C@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 28256931 ZAFALSYXVNIPJK-ONGCRIIZSA-N 587.636 5.989 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)N[C@@H](Cc5c[nH]cn5)C(=O)NN)CC[C@]4(C)[C@@H]3CC[C@]12C 43569819 HEIMOAMQOSNFRJ-HAYGZAFTSA-N 581.846 6.447 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49780585 UIJXIMWJIHBWIT-NJMSHUOMSA-N 639.875 6.149 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(Br)o2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 49813670 UXDUVXYQKPADPT-WZLIHNRFSA-N 642.370 6.203 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(/N=C/c3cccc(Br)c3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84654514 JDBLIMANPBEAPQ-GBBLVPQKSA-N 622.526 5.684 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 84710677 JJQGOUALJFARBW-VYQCYPOCSA-N 539.883 6.116 50 1 KKGF COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(C(Cl)Cl)c2)cc1 96271947 ZGCCZHRBZWGSJI-HSZRJFAPSA-N 516.421 6.007 50 1 KKGF CCCC[C@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@@H](CCCCCl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 140639690 ADIDLTWFZOYUMC-OECKDMSPSA-N 603.284 9.958 50 1 KKGF COc1cccc(Nc2cc(-c3ccccc3)nc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)c1 169352898 MAAARGJOCYFUOS-UHFFFAOYSA-N 600.550 8.582 50 1 KKGF C=CCO/N=C(\C[C@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169615567 WGDOECSYODBCCA-FPKOWGLOSA-N 631.807 6.436 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2cccc3cc[nH]c23)c1=O 221580878 USAGWBBUYZOBDV-GUSZLPELSA-N 733.049 5.251 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]43C)[C@@H]1CCC(=O)N2 254076651 JMZJBCNHUJOLER-ZIILYPGYSA-N 563.610 6.336 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[Si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c1cnc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 587191102 OUIMUUTVBNQVOW-VUGLTOMASA-N 576.782 6.298 50 1 KKGF C[C@H](Br)[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322536 NDTJQDWDGWZPLU-PWJBXEHMSA-N 520.192 6.332 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1Cc1ccc(F)cc1 587333614 KVKSCEOAVSWPSY-LMSSTIIKSA-N 507.964 6.630 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)[C@@H](C2)C3=O 587411084 BMKIEVAXPNHPDV-AVRWGWEMSA-N 557.784 5.281 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(-c3sccc3Br)cc1)CC2=O 587493023 PRJARTOSQCIXHY-QHCPKHFHSA-N 536.285 7.091 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587506162 MRKHTRDXYSZLLJ-DKLHSDCFSA-N 651.215 7.415 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587670325 KCUIAMWWWCYOKE-LIBAHTEVSA-N 506.051 5.912 50 1 KKGF CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587682828 DSXFEDGVCCJDAF-CBVFIEGHSA-N 681.039 6.679 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587685709 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O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CBr)(c2ccc(I)c(F)c2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963044781 VRXVTRJOVLWAKU-NLGDKJDOSA-N 827.229 8.370 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 963157288 KJIQQPDMJCKZOP-IAKNFJPBSA-N 693.247 7.457 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963191813 ZHMJASIFFBSBAS-URXFXBBRSA-N 649.234 6.277 50 1 KKGF Cc1cc([C@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(C)c1C 963192369 UCETYLOTJHUXLD-NHZFLZHXSA-N 570.085 7.256 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCc1cn(CCCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nn1 1857635394 IYENTSQAACIYSS-RUZDIDTESA-N 564.733 5.851 50 1 KKGF C/C(=C\CO[P@](=O)(N[C@@H](C)C(=O)OCc1ccccc1)Oc1ccccc1)CO[Si](C)(C)C(C)(C)C 1857752172 OAOYKSGPQULCDH-YYTUFLGYSA-N 533.678 6.880 50 1 KKGF CCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1 2356326506 XYNWKOXRMZVNTQ-GHFIFYCASA-N 661.792 8.962 50 1 KKGF CCCCCCCC(Cl)(Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1 2356334711 LWFZKXMCJDHBNJ-IYIFHHPVSA-N 696.237 9.528 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SS[C@H]7C=Cc8c(ccnc8N7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356360909 REQNWSXGCMVWRL-QNJVABNGSA-N 848.100 9.036 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]4O)[C@@]65C 2356372587 IHYWQHQHORQMJZ-RNCWPNNFSA-N 896.222 5.925 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c4c2OC[C@@H](CO)CCc2cc5[nH]ccc5cc2[C@H]2CC(=C4C(C=O)=C(C(=O)OCC)O3)C[C@@H](CO)C2=O)O1 2356382804 OKWIZRAXJQELQU-HRFWNECOSA-N 771.904 5.536 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@]5(CO)C=C[C@@H]6CC[C@H](O)[C@]67CN(C(=O)[C@@]357)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356537554 WSPDSDQYYDWCTM-CIOAFOIMSA-N 988.319 6.009 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356687396 OQLBRBVZRBZVJY-RUERSWGLSA-N 781.098 7.487 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@H](CO)C2=CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 2356752610 CJCWTBBBFFKQTA-NXEAHZLASA-N 603.635 5.166 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](NC[C@@H](C)O)C[C@@H]([C@H](C)Cc4ccccc4)C#C[C@@H]3C=C12 2356851694 QIRCMVNKDYLZRE-YEDRANPGSA-N 967.352 6.753 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](C[n+]2cc[nH]c2)(SSC1)[C@@H](CCc1ccccc1)CN3 85596439 NIVFXGFITXJOND-LZLVUQCASA-O 697.947 7.315 50 1 KKGF biogenic,in-vitro CN[C@@H](Cc1ccc(O)cc1)O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 85597378 MNPXSFPKZGLJOM-BHZGVWCHSA-N 663.858 6.734 50 1 KKGF biogenic,in-vitro CO/N=C(\Cc1c[nH]c2ccc(Br)cc12)C(=O)NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/OC 95578125 XKQWPNUVXVJSKO-DKKRNIPZSA-N 738.528 5.578 50 1 KKGF CC(=O)N[C@@H](Cc1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95612826 ZPMFWKTYEZCACZ-JVLWVATNSA-N 789.267 6.858 50 1 KKGF C[C@H](Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21)NC(=O)/C(C#N)=C/C(C)(C)C 149465488 FRMUZCKAJXQYQC-CLEQQJOVSA-N 513.577 5.008 50 1 KKGF C[C@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@]1(C)CC[C@H]2SSC1 150360348 PVQUNZQBGXLOBG-RMBAUFSPSA-N 642.031 10.517 50 1 KKGF biogenic,in-vitro C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)c2)cc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c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(O)cc1)C(=O)Nc1ccc(C)cc1-2 253639787 RBOSNQFLLDWGNU-QGZVFWFLSA-N 523.253 6.575 50 1 KKGF C[C@@H]1[C@H](C[C@@H](C[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254133804 CRSJHIRCVZDTHB-NZGZIBHYSA-N 832.066 7.556 50 1 KKGF COCC1=C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C(=O)C(COC)=C(c2ccc(O[Si](C)(C)C(C)(C)C)cc2)C1=O 299832541 JEGCYWXVSSZBLB-UHFFFAOYSA-N 608.924 8.107 50 1 KKGF COc1ccc(-c2nnc(-c3ccc4nc(/C(C#N)=C/c5cc(C)n(-c6cccc(Cl)c6Cl)c5C)[nH]c4c3)o2)cc1 587056578 PMXZIVWSANZFCB-HYARGMPZSA-N 581.463 8.067 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(NC(=O)OCc3ccccc3)cc1)CC2=O 587455557 CRWVXMFJBZWRTB-HHHXNRCGSA-N 524.411 6.349 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C(=O)OC)s1)(C(Br)Br)CC2=O 587495725 RYQZVPSJOQMMBV-LJQANCHMSA-N 518.223 5.169 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587497960 DTKAYPCPZOBOAD-WSURVYCYSA-N 541.570 7.046 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567202 BZYCKEOGBHAIJA-LEAFIULHSA-N 611.819 6.325 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl 587687992 JLEBCRARRHKTPP-DAOPMYJZSA-N 530.696 7.319 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587688769 OAIKRTZEOFNVEL-TWKFVSLJSA-N 501.827 5.980 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 587714830 BSMMDJZGNXYPSD-CQLKUDPESA-N 500.008 6.207 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674118 MYKZNIYADWGYJQ-VPTFNQTCSA-N 587.038 6.201 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCCl)(c1ccc(Br)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682970 VZLJBYZPOFXZGQ-HHHXNRCGSA-N 596.871 7.446 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962953497 IUWZHADRODFHCR-LMSSTIIKSA-N 560.012 6.108 50 1 KKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963103155 YWFWTRIKQSNIIZ-VHYZKNOSSA-N 646.625 8.416 50 1 KKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c1 963282840 YOTFVGPWNSJNRP-QGZVFWFLSA-N 603.027 6.145 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2coc3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367178 NFIWURMRHYIANQ-MFACQUFMSA-N 638.514 7.126 50 1 KKGF O=C(Nc1cccnc1)[C@@H](Cl)[C@@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963830929 FEZSPOHTIBKXTD-GRKNLSHJSA-N 523.036 5.777 50 1 KKGF Cn1cc2c(nc(=NC(=O)Nc3ccc(CC(=O)NCCOOCCCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)cc3)n3nc(-c4ccco4)nc23)[nH]1 1772651590 YZODOEYKVKCETQ-UHFFFAOYSA-N 951.979 5.993 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857596100 ZYYSAUJZDKVSSU-MRXNPFEDSA-N 513.428 5.526 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356292328 OPAOLUXJRSYOEO-NTCIHBHMSA-N 875.215 7.871 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)CCCCO)O3)O1 2356367844 JCKXELRGRPODGL-NESNIVEGSA-N 629.706 5.093 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC2(CCCC2)C[C@@H]2CN(CCCOC)CC[C@H]21)C4 2356541460 DEONHPKFBGSZHQ-HDOVVKTGSA-N 923.113 5.874 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCCC2)c1O 2356670778 BKKSWFKHTZCPGF-OVUOCUBBSA-N 678.913 8.913 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356721822 PHFMYXDGPGNDPE-QXPFROAYSA-N 831.148 5.698 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@H](C[C@@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)CC[C@]34C)[C@@H]2CN2C[C@H]3CC[C@H](CC4(c5ccccc5)CCCC4)c4ccccc4CSSC[C@@H](C3)[C@@H]21 2356853494 RGVQUBBKMWKJNM-GYCUCTCMSA-N 784.229 10.245 50 1 KKGF C[C@H](Cc1ccccc1)[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@H](O)[C@@H](CCC1)CC2 2356866651 VODPTHHXOVBINQ-DXMNXCKWSA-N 866.203 7.241 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](C2=CN=C6CN(C=C26)[C@@H](O4)[C@@H](C#C[C@@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@@H](O)C1 2356875683 ZSSUFHSHDSMKGG-XMQAYRMCSA-N 941.229 7.482 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 85627237 OMELYABDBXQMBU-BFKQPEFWSA-N 833.174 8.453 50 1 KKGF biogenic,in-vitro CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)/C(=C/CCc1ccccc1)CC(=O)NNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 95616034 LCLWTUJSVDCASO-JLSHBGBKSA-N 742.696 5.330 50 1 KKGF C[C@H]1C=C/C(=C\C[C@@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@]3(C=O)OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 150343992 BLSYISDVNGGMCI-MZCUFPJFSA-O 880.030 6.530 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3[C@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCCC4)c(=O)oc3cc1O2 150345897 OIBVTPRLRHZONI-NXUAEKLWSA-N 859.124 6.003 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(COC(=O)CCC(=O)O)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169289960 LKGRAXYPFZAARJ-QWXNSNOLSA-N 722.869 5.407 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@@H](C)CC[C@H]([C@@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169615514 CRSJHIRCVZDTHB-ROZBVPTOSA-N 832.066 7.556 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 195167622 SBWFAIGFKMBQFX-WWWHGSLSSA-N 798.421 5.306 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 299815722 RKLDGEIKBMOFAU-PBMUFMDZSA-N 563.474 5.440 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191672 UTPXTXYDLIGBAU-UATTUGJOSA-N 596.212 7.248 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191798 XWEVKZSBVFIULO-YEXLVFSCSA-N 664.209 8.267 50 1 KKGF O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587325347 XQXSTQRIZKPCLI-IXCJQBJRSA-N 584.825 6.045 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 587326992 NTDCVIZZYMUTJQ-XCZPVHLTSA-N 520.944 6.340 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1 587671507 SMLUESUVVJFZQB-ZYNUUPFYSA-N 517.236 6.012 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cc(Br)cnc3Br)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587939078 BGTFNQIALDBHAH-PVKRHBOESA-N 600.304 5.690 50 1 KKGF COc1ccc2c(c1)[C@H](c1ccc(N3CC[C@H](CO[Si](C)(C)C(C)(C)C)C3)nc1F)N(C(C)C)CC2 962094068 VUCWDMPXKTUNES-IDISGSTGSA-N 513.774 6.433 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCCCCCl)(c1cccc(C)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962628007 MCKZQSDAGZQRRO-ABYGYWHVSA-N 514.062 6.487 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)[C@H]1CC=C[C@@]21c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963006770 BSZDFXFLDLOBJS-MBRZALOZSA-N 807.420 8.571 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CCl)CCc1ccccc1 963067668 RBCXVYLAJMFOER-UXWDXCIHSA-N 513.034 5.232 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@]2(c3ccccc3OC[C@H]2Br)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089077 QCFVRQKZHUGDGP-KOLSLRSOSA-N 616.555 7.390 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1 963159756 RKFBYGJZWMNYGW-YIQDYSAESA-N 663.140 5.954 50 1 KKGF COc1cc(NC(=O)CCCl)c2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 1772638278 NQSJLEFJVKQEIT-ACHIHNKUSA-N 728.286 7.730 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOC(=O)CCCC[C@H]4CCSS4)c4ccccc34)[C@@H]21 1857636667 NVFGTRLNVBVSMG-KCWXNJEJSA-N 549.762 6.436 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356292700 UOZJLUXYEQXKJX-VEFKEQPTSA-N 916.175 8.189 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356294871 RTCUQKJLIZGMBT-WVWNRJNMSA-N 849.177 7.471 50 1 KKGF NCC[C@@H]1CC[C@H](CC=CCCC2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356310694 CWIGBLWUGFSPLI-NYVURYMASA-N 652.023 9.625 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c1 2356317934 BGCNYURORKRGBT-RAJDFLIMSA-N 936.206 7.458 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356371295 IXHJJXCTGOXCNY-QJKOTLKGSA-N 951.299 6.841 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2CSS[C@H]5O)C1=O 2356609808 NLMZLTIPCIPBAX-USYWAODRSA-N 840.158 6.317 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)C1(CC=C(C)C)CCCC1 2356620452 STTUJEJVPBLZIR-IMIVWBPSSA-N 614.864 5.518 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356620937 JPECSVDXVJQYSJ-QXPFROAYSA-N 830.164 5.535 50 1 KKGF C[C@H]1C[C@]2(C[C@@H](C)C(=O)O2)O[C@H]2C[C@]3(C)[C@@H]4CC[C@@H]5[C@H]6C[C@@]4(CC[C@]3(C)[C@H]12)OO[C@H]6CC(=O)OC5(C)C 2356678991 AVQUXXDBAIYVRE-ZTWGTFFESA-N 516.675 5.344 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(C[C@@]53CCC[C@@H]3O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356769265 ZXWWYIQDBFVEBW-MNKFZBNQSA-N 994.323 5.205 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@@H]2C=CC[C@@H]3O 2356775382 KTHGSNJOJUQWJF-CIIXJLIJSA-N 936.295 5.862 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCNC7=CC(=CCN7)[C@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356865329 WBJDMNHTJDKGAD-XHXSQPSYSA-N 690.972 7.596 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 42921876 BBZGJXMNNWYKRB-IFTKMGOHSA-N 568.718 5.600 50 1 KKGF Cc1ccc(-c2nc(CC(=O)N/N=C/c3ccccc3OCc3csc(-c4ccc(Br)cc4)n3)cs2)cc1 66080499 HGMNFVZMVHSGFB-IBBHUPRXSA-N 603.567 7.276 50 1 KKGF C=C(/C=C/C=C(/CO)[C@]12CC[C@@]34/C(=C(/C)C=O)[C@H](C=C[C@H]3CCO)C[C@@](C)(O)[C@@]4(CC1)[C@@H]2O)CCC=C(C)C 103574802 RNKLDKHUYHVLLN-NMYKCXMOSA-N 536.753 5.526 50 1 KKGF biogenic,in-vitro CCCCCCC[C@@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC[C@H](Cl)COS(=O)(=O)O 169621827 WAZWQAUPFQVNCE-NLCRGRMESA-N 703.015 8.292 50 1 KKGF COCO[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C)[C@@H](CNC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2 170121660 FUNHZIMGEJKDET-MNPDLOSFSA-N 583.795 5.555 50 1 KKGF COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3oc2=O)cc(OC)c1OC 299841339 ZHXRYHYCMWAPLA-VWLOTQADSA-N 542.588 5.245 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H]5CC[C@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]12C 299847155 XRRHDGKBIMJRKD-BYSVTYNVSA-N 546.384 6.503 50 1 KKGF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586933628 UGBMYOLLTWSPIP-UHFFFAOYSA-N 639.422 6.727 50 1 KKGF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c1 587138991 YVYPCNTWGKLKKF-UHFFFAOYSA-N 555.269 8.293 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191767 XFVUCYKHPKNLNW-HTYYOISLSA-N 724.659 8.256 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C1CCCC1 587225394 KKIYVHVFNNYRHW-CQSZACIVSA-N 520.362 7.739 50 1 KKGF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]2CCCO[C@H]2C1(C)C 587239391 JZWBVTDFBKTLKJ-FFUDGTDTSA-N 576.426 7.538 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)[C@H]1c1ccc(F)cc1 587319529 BZFFRNXPWBPDNI-UKILVPOCSA-N 528.761 6.489 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 587325879 HJSJQTQHTRZKDW-UCGGBYDDSA-N 601.034 5.074 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)(c1cc(C)n(NC(=O)c3sc4ccccc4c3Cl)c1C)O2 587413001 LCQDYMVTRAAOQT-SANMLTNESA-N 528.461 6.347 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587496981 HAGBPOIAXJQZJD-WNNBVUDTSA-N 520.412 6.238 50 1 KKGF O=C1C[C@](c2ccccc2)([C@@H](Br)[C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 587498379 GTKJXGMWYGGUPS-URORMMCBSA-N 540.295 7.326 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 587674072 SLVBILONBKORQG-OZAJXLCCSA-N 601.141 7.055 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587686307 CGLBNNDEEWMVTQ-MDZDMXMASA-N 528.893 7.090 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 587687288 ZPKMIZJOAOPXSB-OZAJXLCCSA-N 567.242 6.153 50 1 KKGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F 587712154 OATOKKQEURQSSU-YPMLDQLKSA-N 511.151 5.788 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 587712281 KJVCUXJXEHIQTM-ZLOXQWCVSA-N 529.803 7.031 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 587764205 CEYPLXDEIKWNIV-ULIHRKGRSA-N 510.495 6.961 50 1 KKGF CC(C)c1cc([C@]2(C(F)(F)F)Nc3cc(-c4ccc(Cl)cc4)nn3C(N)=C2C#N)cc(C(C)C)c1N 621477620 DPMSVNKDXYIBNS-VWLOTQADSA-N 514.983 6.567 50 1 KKGF CC[C@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)C/C=C/C(C)(C)OO)C2=O 653688564 VLNODZLUDIWYDA-LUACQDBVSA-N 598.821 7.948 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c(C)n1-c1ccc(C(C)C)cc1 962642026 TTWOWLOLTVMKJL-AOYPEHQESA-N 520.979 6.197 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CBr)c3ccc(Br)c(F)c3)c(O)c2C(=O)O1 962932045 CVEFNAREQOTERO-NDEUEHCPSA-N 681.736 5.839 50 1 KKGF Cc1cc([C@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)cc1 962953585 JKOSBPANPWMDQE-AREMUKBSSA-N 523.426 6.900 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@]23c2[nH]c4ccccc4c2C[C@H](C(=O)O)N3C(=O)c2ccc(Cl)cc2)c1 963011672 OBPOKFVSBAZXSP-XVODIUIHSA-N 702.978 6.995 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2)([C@H](Br)c2ccccc2)N1C(=O)c1ccc(Cl)cc1 963014780 JVUJNFHWLOUFCG-FISMMAAMSA-N 613.939 7.547 50 1 KKGF Cc1cc(C)c2cc(/C=C(/C#N)[C@@]3(C(C)(C)C)c4[nH]c5ccccc5c4C[C@@H]([C@@H](O)CC(=O)O)N3C(=O)OC(C)(C)C)c(=O)oc2c1 963068678 SBBFSFSONIJQTR-XVFCLRJWSA-N 639.749 6.737 50 1 KKGF COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)CN(C)C(=O)[C@H](Cc1ccccc1)N(C)C)C(C)(C)C 1857586870 PJUMSHFXDSXSQB-SQQNXTARSA-N 951.179 5.394 50 1 KKGF Cn1cc(CCOc2nc(-c3ccc(Cl)c(Cl)c3)n(-c3ccc(NC(=O)CCl)cc3)n2)c2ccccc21 1857752033 XYLQSXWSAOFUMZ-UHFFFAOYSA-N 554.865 6.532 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O6)C4)C1)C2 2356300009 JPVODEHOYIZATK-LKLBXGNXSA-N 884.133 8.792 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356301056 QUNNISIZTVWMIP-NOTMFAOPSA-N 755.959 7.080 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356705459 OTNOHAQWJNAIKA-KMLNNSEESA-N 894.206 5.701 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@@H](Cc2ccc(O)c3c2CSSC[C@@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 2356713403 HSSDCDUQXSGFCF-RZSJIWOLSA-N 920.207 8.486 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@@H](CC)C1)C4 2356769690 LFPJUMCZUPGENK-JHOAEGBOSA-N 871.037 5.093 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@]2(O1)O[C@H]([C@]1(C)CC[C@H](Br)C(C)(C)O1)CC[C@]2(C)O 2356799491 UMYRCGIBKPWTMV-ASDQGZQNSA-N 603.635 5.309 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@@H](C)CSSCNC2=CC(=CCN2)C1 2356805611 ADFHSANPPJGULX-ZDPDWKTFSA-N 578.800 6.427 50 1 KKGF CC(C)(C)[Si](C)(C)Oc1cc(O[Si](C)(C)C(C)(C)C)c2c(ccn2S(=O)(=O)c2ccccc2)c1 205359093 WHAURHTTYOLWCJ-UHFFFAOYSA-N 517.840 7.646 50 3 KKGF O=[S@@]1c2ccc(Cl)cc2C[C@H](SS[C@H]2Cc3cc(Cl)ccc3[S@](=O)c3ccccc32)c2ccccc21 1630928 HDJWIAKCZPDXOF-BJRLVXNYSA-N 587.640 8.603 50 1 KKGF COc1ccc([C@@H](NS(=O)(=O)c2ccc(C)cc2)c2c([C@H](CBr)OC)c3ccccc3n2S(=O)(=O)c2ccccc2)cc1OC 82182242 RUKPFISHIWBLSI-XDFJSJKPSA-N 713.672 6.354 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CCCCCC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 95607534 WGVWKOGGAZAROY-NMDIXTHPSA-N 618.764 6.104 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@H]2C(C)=CCC(C)=C2Cc2cc(ccc2O)C(=O)O1 138630671 RBCKUQFYJTZYAI-CIMCOABOSA-N 503.477 6.407 50 1 KKGF COc1cc(/C=C/C(=O)N(/N=N/c2ccc([N+](=O)[O-])cc2Cl)c2ccc([N+](=O)[O-])cc2Cl)ccc1OC(C)=O 169312061 MVGGSHOCCDHMLT-JKNCFJNVSA-N 574.333 6.489 50 1 KKGF COc1ccc(COCC[C@H](C)O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 195516981 KEMFXFONLNFIMG-PEDMNLFHSA-N 819.990 7.761 50 1 KKGF CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCC1 223571519 CUHOEUVRFGXWRM-STLXWTDXSA-N 580.668 5.105 50 1 KKGF C=C1C(=O)O[C@H](/C=C(\C)CC/C=C(/C=O)C/C(C)=C/[C@H]2OC(=O)C(=C)[C@@H]2CCC(C)=O)[C@H]1CCC(C)=O 238788927 LNBUXSXUGOZNBS-XKNWAVNHSA-N 510.627 5.109 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 586937056 PYLBYFZBGSYSMC-SFHVURJKSA-N 684.555 6.485 50 1 KKGF COc1ccccc1NS(=O)(=O)c1ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587055654 JNCJMERFAQRJSH-XSFVSMFZSA-N 592.508 7.151 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3c(Br)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055733 MGIDGURBMMSITQ-NTUHNPAUSA-N 521.633 7.152 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1Cc1c2nc2cccc3c2c1-c1ccccc1C3=O 587102816 ZAEKBWUAVJRULA-QNZJYTTJSA-N 552.512 7.365 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 587687467 GVEGHDDBYHWZQM-WZQKQDCOSA-N 501.871 6.501 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c13 587713495 DGOIJXKONXJIAA-AUXWNJNRSA-N 693.069 7.464 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 587764197 CEYPLXDEIKWNIV-BRMWGESHSA-N 510.495 6.961 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587847780 HIJFDJYNPHDZSO-DFXYEROKSA-N 532.437 6.587 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1 653703950 OFVZTTGXSWHBMY-LALXJTNGSA-N 639.650 7.604 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1c[nH]c3ccccc13)([C@@H](Cl)c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682003 TZXCEDRJWJINSM-WEZIJMHWSA-N 605.056 8.126 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2cccc3c2OC(F)(F)C(F)(F)O3)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962701703 BYPUQDKGEYEIHO-WHMAPKLYSA-N 790.555 7.399 50 1 KKGF Cc1c(F)cc([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1I 963007965 COKIGUWIQIPODB-KCWPFWIISA-N 681.727 6.664 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1C(=O)OCC1c2ccccc2-c2ccccc21 963187104 LNUIIXNCTBUPHC-OMGNGIFRSA-N 682.570 9.076 50 1 KKGF Cc1ccc2[nH]c3c(c2c1)CC[C@]1([C@H]2c4ccccc4-c4nc5cc(C)c(C)cc5nc42)NC(=O)C(C#N)=C31 1857754207 UWEUPRPYHLOPKF-VCTRWQRLSA-N 507.597 5.941 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCC4(C[C@H](O)CO)CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356301092 QZIVLNAUSJVSOP-JVAOHDBASA-N 918.235 9.099 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@@H](CCC3(O)CCCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356417211 UOMOKZRODUDDTI-LIZRBQFGSA-N 971.292 9.686 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC2(CCCC2)C[C@@H]2CN(CCCOC)CC[C@@H]21)C4 2356541456 DEONHPKFBGSZHQ-DHIYFHRKSA-N 923.113 5.874 50 1 KKGF C=C1CCC(C)=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@](C)(O)[C@@H](Br)CC[C@H]12 2356704231 LWYZNBXETNJHDW-PHYRLJMMSA-N 521.492 5.602 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356728962 YRCVCRIVUZAGHJ-XANCKBAQSA-N 575.885 5.584 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H]3NCC[C@@](Cn4ccnc4)(SSC1)C3=C2 2356814306 BZXJQLRBPBXODC-PSSSKITMSA-N 620.841 5.760 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356823615 GFUXVTNHSPSFTC-ZYSBVEFBSA-N 816.079 5.959 50 1 KKGF CC[C@@H]1C2=CC3=NC2=CN1c1c2c(cc4c(=O)cc(C)oc14)C[C@H](OOC[C@](O)(Cc1ccc(O)c4ccc(O)cc14)[C@H](O)[C@H](O)[C@H](O)CO)[C@@]1(CC=C[C@@H](C1)[C@@H]1CNC(=O)[C@@]14CCC[C@@H](CCC3)C4)O2 2356825442 HSEYSWJSBTWTCW-NNLRJUBZSA-N 974.117 5.599 50 1 KKGF N[C@@H]1NC[C@@]23CC[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCCC8)C[C@@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@@H](O)c2ccc1c3c24 2356830268 JGCXIZLWUGBDFE-JJMQKUINSA-N 955.256 7.873 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@@H](O)c2ccc1c3c24 2356852011 QMEUDKCCGQCQLC-MSYVLFPWSA-N 939.213 7.258 50 1 KKGF COc1cc(CNCCCCCCNCCSSCCNCCCCCCNCc2cc(OC)c(OC)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1OC 29398066 MUCCOXOWANDBKD-UHFFFAOYSA-N 740.990 6.098 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53226768 HOSSTDYQJSAZTA-VXKWHMMOSA-N 523.843 6.152 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 84711502 RKLDGEIKBMOFAU-WPCPPOHTSA-N 563.474 5.440 50 1 KKGF C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cccc23)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 95606835 MVUVLVTUOPWASS-IVHMZPQUSA-N 780.958 11.450 50 1 KKGF N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96907826 VTJXVSPMJGLTTL-GDLZYMKVSA-N 612.011 7.876 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H]([C@@H]3CC[C@@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)cc(OC)c1O 150342949 AFKANJMTEOXQHA-YKLBEAIISA-N 636.832 7.598 50 1 KKGF biogenic,in-vitro COc1ccc(Nc2nc(NCCNCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nc(Nc3ccccc3)n2)cc1 150524663 RQQCVOGYCBUTGW-QHLQCRJFSA-N 661.804 5.594 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COP(=O)(Oc3ccc(Cl)cc3)Oc3ccc(Cl)cc3)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169299772 RRUFBQZQKFJIRU-JENIPXHISA-N 907.862 11.473 50 1 KKGF C=CCO/N=C(/C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]42OO3 169615352 WGDOECSYODBCCA-JVEPZQPXSA-N 631.807 6.436 50 1 KKGF CC1(C)O[C@@H]1[C@@H](Cl)C[C@@](C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 255225443 LAGSZTCWDHVZKN-AMUPKOLXSA-N 622.081 6.447 50 1 KKGF CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC1=O 299822829 CALHFQHOBJNLIX-RSBYQUQBSA-N 772.050 5.030 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299841554 BVRIJFRDMCDGFG-ATUVPMONSA-N 937.049 5.464 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4cn(Cc5ccccc5)c5ccccc45)sc3c2)CC1 299857926 FUGOQZZEWTXZIK-KCSSXMTESA-N 536.705 6.687 50 1 KKGF O=C(Cc1cc(Br)cc(Br)c1OC(=O)CCCN=C=S)Nc1ccccc1[N+](=O)[O-] 299862174 MOXOJKYUBADPTP-UHFFFAOYSA-N 557.220 5.089 50 1 KKGF Cc1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879331 OIYGEYYOAGVFCF-UHFFFAOYSA-N 533.316 8.323 50 1 KKGF O=[S@@](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(c1ccccc1)c1ccccc1 586961621 WKXNANBVYBVEGQ-HKBQPEDESA-N 551.400 8.021 50 1 KKGF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 587118240 KVXZXGVZUPKGBT-UHFFFAOYSA-N 511.236 7.124 50 1 KKGF O=S(=O)(N[C@@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1 587171373 XTWMZTWRZILJJH-IBGZPJMESA-N 507.481 6.427 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)O2 587415350 RJSPVGXBRKIQBS-INZIPBBXSA-N 551.152 7.147 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 587672830 IJHOMVJPLNAVDU-QZXCRCNTSA-N 537.270 7.658 50 1 KKGF COc1cc(/C=C(\C#N)[C@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O 587738416 ODNLXWFTWJWSGX-YSPYEYKZSA-N 651.270 5.703 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Sc2ccc(NC(=O)CCl)cc2)cc1 587896394 MISAHKKSUBUACX-UHFFFAOYSA-N 517.865 6.032 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)O[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)c2ncccc2c1 621430811 OXASSEYSFHTAIZ-BYPNOZTDSA-N 565.711 6.320 50 1 KKGF O=C(O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 621430837 YIGIDZHXWUYKIG-UVIGARCHSA-N 684.674 8.067 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@]2(c3cc(Br)ccc3C[C@@H]2Br)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963088414 CEYIUVHEKGJJAT-YSJNHPSYSA-N 679.452 8.316 50 1 KKGF CCCCOc1ccc([C@@]2(CBr)c3c(ccc(OC)c3OC)CCN2C(=O)C(=O)c2c[nH]c3ccccc23)cc1 963797034 VZKNUIKMESVEGT-YTTGMZPUSA-N 605.529 6.270 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccc(F)cc3)cc(-c3ccc(F)c(F)c3)nc12 1857548109 DGFRGJSADOQCKK-UHFFFAOYSA-N 535.505 7.626 50 1 KKGF CC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2ccc(COC(=O)CCCCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc12 1857564721 REJDDZDMIGAJKU-UHYIFUBKSA-N 740.225 7.462 50 1 KKGF COc1cc(-c2ccc(OCCBr)cc2)c(OC)c(OCCBr)c1-c1ccc(O)cc1 1857762286 IWKQLQIIVSIEAC-UHFFFAOYSA-N 552.259 6.291 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](Cc1ccccc1)c1cc2cnc1N 2356320089 FNVOANJAEGPMRV-JYOVQBEMSA-N 600.806 7.475 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)CN[C@@H](C)Cc1ccccc1 2356356015 JVDXWLWUNKJCTG-OZASXUEGSA-N 686.978 5.783 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356356673 BYLABABQYQAXRR-DNUCMFOSSA-N 948.342 8.189 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@H](O)[C@@H](c1cc(OC3CCCCC3)c(O)c(OC)c1O)O2)C4 2356365836 SOXOJLAXRKJUGG-OKHTUENXSA-N 694.912 8.618 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](c3cc[nH]c3)[C@H](C[C@@H]3C=CC=C[C@H]3C)[C@H](OC(C)=O)CC(=O)C2)cc(O)c1O 2356373763 HNKFBPJOSIKFOX-JPCVRQHMSA-N 571.761 6.363 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5[C@H](C[C@@]67CCC[C@@H]6[C@@H]5CC[C@@H]7[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356600234 FLXDJURQBXYETA-DILZYWGHSA-N 998.321 8.562 50 1 KKGF CC1=C[C@H](C)CC[C@H](C(Cl)(Cl)Cl)OC(=O)C[C@H]([C@@H]2C[C@@H]2Cl)OC(=O)C=C[C@@H]2[C@H]1CC=C1C(=O)NC[C@@]12C 2356729721 DVSMDAZIABCDQH-DFQHHQKBSA-N 593.375 5.829 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5C[C@H](O)C(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356823186 GJPNRCQZCZVKFP-FKSJHICFSA-N 899.186 10.753 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SS[C@H]7C=CC8=C(NCC=C8[C@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356840464 MREJDUBPMRJHRI-QADHSCJOSA-N 781.997 6.375 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6cc(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O7)C4)N[C@H](N)C=C5)C1)C2 2356841009 NDSKBNQGXGSPGV-PPLQASSNSA-N 886.149 8.482 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356849787 PXXQPLHWHIWAMX-ZUJXNOHYSA-N 957.361 9.099 50 1 KKGF COc1ccc(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2ccccc12 44430307 QDWSDJKNTGFACN-UHFFFAOYSA-N 575.496 8.035 50 1 KKGF C[C@@H]1C[C@@]2(N=C(N)CS2)[C@@]2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO[Si](C)(C)C)C[C@H]3O[C@@H]2O1 261176178 UWNBDYPUCHQNFS-IAIYKDBOSA-N 761.143 6.406 50 1 KKGF CC(C)(C)OC(=O)Cn1cc(C=NNC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c2ccccc21 299815598 PEORWHANOJRIJZ-UHFFFAOYSA-N 553.688 5.775 50 1 KKGF N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 299837273 PTFATIJCQXMHNP-KGENOOAVSA-N 525.634 6.518 50 1 KKGF NNC(=O)c1ccc2nc(-c3cc(/C=C/c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 587124468 YBEACRUBRYCXCQ-LZCJLJQNSA-N 568.353 6.213 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)CC2=O 587481304 BEKUCOQCUVHVMH-XTEPFMGCSA-N 528.070 5.186 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Cl)c(C(F)(F)F)c1 587549058 PNFYLCBLBNAGOE-GHTZIAJQSA-N 513.693 6.316 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 587672244 FGXUFMOQVYSPNK-CFMSYZGJSA-N 549.065 6.723 50 1 KKGF COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587681770 ANNWEUNHVWVDNT-RXAIFQJESA-N 557.847 5.491 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 587683602 UYNIHJCGMTZFEZ-NPMABZOXSA-N 540.702 6.775 50 1 KKGF O=C(Nc1cc(Cl)ccc1Cl)O[C@H]1C[C@@H](OC(=O)Nc2cc(Cl)ccc2Cl)C[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621443149 OXHWAYOCIFPNIT-DTMSBSAJSA-N 672.389 8.846 50 1 KKGF COc1cc([C@@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-] 963092596 VSYUYOHXPFPGHC-JUKUECOXSA-N 663.568 7.545 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 963140253 JLNPFSNBDAONHK-CJFMBICVSA-N 530.002 5.447 50 1 KKGF O=C(NCc1cccs1)c1ccc2cccc(SSc3cccc4ccc(C(=O)NCc5cccs5)nc34)c2n1 1772610814 XURPGAIREHZURV-UHFFFAOYSA-N 598.800 7.565 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1ccc(Cl)cc1)c1ccccc12 1772618647 QFCJBEGDMHYKAX-PSXMRANNSA-N 633.071 6.089 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H](C(=O)OCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857534590 YTSFJQGDJPNLBO-MCYGFGCQSA-N 704.195 8.175 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]12O 2356407873 NODWWAPGCKGBPS-LVDOFXSHSA-N 984.471 9.946 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](O)(CCCCO)C1CCN(CCCOC)CC1)C4 2356415599 PQJDIFBGBBPNJP-DSXBFBDZSA-N 871.037 5.238 50 1 KKGF C[C@@]1(C2CCCCC2)CC[C@H](O)[C@]23[C@@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CCCC[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@@]3(O)CCC1=CC(=O)OC1 2356654642 FQPRORZTAZHAIA-ZYYLEZSESA-N 873.275 10.184 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356729994 ZBCVXGURYIBQHX-QKIMYAEYSA-N 893.313 10.262 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@@H]3CC[C@]2(C)[C@@H](Br)CC1 2356774863 FAZRQMPAZJJPQF-OQKKBSBFSA-N 584.389 7.245 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CCC7(CCCC7)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4C)c1 2356835626 KTNDEVIYJUKVFU-AYUYWUJSSA-N 764.107 8.744 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C3C#CCC4CCC5(CC4)C(=O)NC[C@H]5[C@H]3C1)O2 2356873658 YHPFIMDISIXRFV-HAOGIRNZSA-N 970.085 5.206 50 1 KKGF CCCCCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(C)cc2)cc1 101408928 XOZHIYYJYQARSV-AJBULDERSA-N 543.693 6.063 50 3 KKGF CCOc1ccc2nc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3nc4ccc(OCC)cc4s3)sc2c1 29469691 VXSRZYPNFZZCEY-UHFFFAOYSA-N 658.852 9.007 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CCCCCC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 95607535 WGVWKOGGAZAROY-WUMJVKIWSA-N 618.764 6.104 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)[C@@H](c1cc2cc(NC(=O)c4cc5c(OC)c(OC)c(OC)cc5nn4)ccc2[nH]1)N3C=O 95611904 DUZQPPIBZFDTQF-ADKRDUOOSA-N 753.090 6.422 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccccc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 102952543 FQUWBDIMZNBBMA-AYUQJXNNSA-N 505.430 6.580 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@@H](CC1)C[C@H]1[C@@H]2CC[C@@]4(C5=C2[C@@H](CN2C(=O)C=CC2=O)c2ccnc(c2)NCSSC[C@H](C)C/C=C/4OC5=O)[C@@H]31 150344218 DJMZQIIYOJBLOA-VGVFOEGGSA-N 711.906 6.982 50 1 KKGF biogenic,in-vitro O=C(CBr)Nc1ccc(Cn2c3c(c4ccccc42)C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@]2(CCN4CC2CC2)[C@H]3O6)cc1 150542184 BQROMVZIEGHMFK-JQGOHGDASA-N 640.578 5.428 50 1 KKGF Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 169373026 JJQCYQOHEUISNH-GVASJAIVSA-N 729.617 5.907 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C)[C@H](CC(C[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169615553 CRSJHIRCVZDTHB-DZALSBIWSA-N 832.066 7.556 50 1 KKGF COC(=O)C[C@H]1[C@H](Sc2ccccc2)C(=O)O[C@@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195161940 FDECYZBAGHCNJT-QVKOCQLISA-N 562.804 5.609 50 1 KKGF C[Si](C)(O[Si](C)(C)c1coc2ccc(C(=O)N3CCC(c4cccc(CN)c4)CC3)cc12)c1coc2ccc(C(=O)N3CCC(c4cccc(CN)c4)CC3)cc12 231558052 QZWGPXDECIOSGU-UHFFFAOYSA-N 799.133 7.677 50 1 KKGF in-vitro COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccccc4)cc3F)ccnc2cc1OCCCN1CCOCC1 299830488 WYYQCNCNUUTYNA-GMEAVFFOSA-N 586.664 5.359 50 1 KKGF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587147704 YEAZPXPUZLYDQH-UHFFFAOYSA-N 567.305 8.163 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)[C@@H]1c1ccc(F)cc1 587332928 TXPJEGFRXGRTJH-KNQAVFIVSA-N 564.156 7.506 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(C(Br)Br)CC2=O 587449568 BSEIIWLWMFMPFR-IBGZPJMESA-N 533.054 6.084 50 1 KKGF CCCc1c(O)ccc2c1O[C@@]1(CC[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(CI)[C@H]4CC[C@@]31C)CC2=O 587469555 AODBRDJSDQZMSW-UDUBSCDPSA-N 632.579 7.358 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587537590 IISWBWCDDDAYFZ-HYBUGGRVSA-N 514.328 5.123 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587712522 BCEHPRWPULOFTN-WLXJRMPVSA-N 681.058 6.865 50 1 KKGF COc1cc(Br)c([C@@]2(CBr)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)cc1OC 961774478 GWRUULKNXSCNIG-AREMUKBSSA-N 596.360 6.256 50 1 KKGF CC[C@H](Cl)CCn1cc([C@]2(C3C(C)(C)C3(C)C)c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N2C(C)=O)c2ccccc21 961956016 XJEROVXOZUYIAK-WXZMRCMSSA-N 697.320 6.666 50 1 KKGF C[C@]1(c2ccc(Cl)cc2Cl)OC[C@@H](COc2ccc(N3CCN(C(=O)N/N=C/c4ccc(O)cc4)CC3)cc2)O1 1857566394 KISRVKUMFUGBFA-LVVPFNMCSA-N 585.488 5.232 50 1 KKGF CN[C@H]1[C@@H](O)[C@H]2C=C[C@H]1SSC[C@](C)(O)CC[C@@H]([C@H](C[C@H](OC(=O)[C@]13CCCC[C@@H]1CCC(=O)N3)C1(Cc3ccc(O)c4c3CCCO4)CCNCC1)OC(C)=O)C2 2356359496 MAPCJYKUWIMPOT-AYPYRDSNSA-N 844.150 5.138 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@H](OC)c2nc(C(C)=O)cs2)[C@H]1C 2356508623 KVAGQEMNZHLCBY-XLUQQNPXSA-N 674.342 7.163 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6cc(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O7)C4)N[C@H](N)C=C5)C1)C2 2356841011 NDSKBNQGXGSPGV-QOSZVEGASA-N 886.149 8.482 50 1 KKGF C[C@@H](CCCCl)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@@]21C 2356848471 PFDPEDJNJSTNLH-IZYRSYQFSA-N 557.171 5.286 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356866865 WIDHAVZVUUXTTA-CPFSGSAXSA-N 597.887 6.122 50 1 KKGF CCN(CC)C(=O)SC[C@@H](CN1CCCCC1)SS[C@@H](CSC(=O)N(CC)CC)CN1CCCCC1 28872973 QRUAKIDPCNHCSQ-DNQXCXABSA-N 578.980 6.467 50 1 KKGF C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C\c2ccccc2)[C@H]1SSc1nc2ccccc2s1 29252313 ZZUGEOYQRIBSPY-MQCKAEGKSA-N 510.706 6.575 50 1 KKGF C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(CCCCC6)OO5)cc4)cccc23)cc1)[C@H]1COC2(CCCCC2)OO1 49841080 IHMPLZKVXWPVQC-LQDDJWCHSA-N 676.806 10.466 50 1 KKGF CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 51091122 XRPKKOWZHZOYHW-FCHUYYIVSA-N 597.717 6.745 50 1 KKGF CC(=O)O[C@@H]1C[C@@H]2CC3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)O)[C@@H]21)OOC1(CCCCC1)OO3 58534291 CYAJLFNAKGQGJO-IJRAKXEISA-N 562.744 6.955 50 1 KKGF COC(=O)NN(C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(-c4ccc5nc([C@@H]6CCCN6C(=O)N(NC(=O)OC)c6ccccc6)[nH]c5c4)cc3)ccc2[nH]1)c1ccccc1 95627790 FEWAXGQSRIOZBK-ZAQUEYBZSA-N 832.922 8.842 50 1 KKGF COC(=O)c1ccc([C@H]2Nc3ccc(/C(C)=N/NC(=O)[C@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@H]23)cc1 169305023 BKAIZLBGUQUUEI-QIUOKSTDSA-N 509.606 5.528 50 1 KKGF CO[C@@H](C[C@H](O)[C@@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/C#N)O2)C(C)(C)[C@H]1OP(=O)(O)O 169687708 YGZQQXOPNYIONQ-RZPMAVSCSA-N 706.814 5.159 50 1 KKGF CC(C)[Si](Oc1ccc(C[C@@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](CCc3ccccc3)C[C@]2(C)C=O)cc1)(C(C)C)C(C)C 195777801 PFPUPXYWDOJOFU-XIWYQXSXSA-N 628.886 8.813 50 1 KKGF C[C@@H]1C[C@@]2(N=C(N)CS2)[C@]2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO[Si](C)(C)C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 253737986 PEKNBERLJCCVET-ZVVIJJPLSA-N 763.159 6.200 50 1 KKGF CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 299871125 XUZGGFXWWABXAF-GVAUOCQISA-N 511.578 5.990 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)([C@@H]2C1)N(C(C)(C)C)C3=O 473120486 DEADOBRLBYFKMV-HPBMOEDASA-N 544.780 6.969 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=Cc5nc6ccc(O)c7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O 586984683 OKAPKDRBIVNTQL-BSOGPILASA-N 568.511 7.276 50 1 KKGF Fc1ccc(Oc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cn2)c(Br)c1 587161055 LMPKIJQDBMMYDO-UHFFFAOYSA-N 589.153 8.739 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)[C@H]1c1ccc(F)cc1 587321089 ICSGQMOXDUSXSY-ZCYQVOJMSA-N 563.206 7.142 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 587326801 NCENZUWGDDCGBV-IXCJQBJRSA-N 510.392 7.085 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587373323 IKHCHNDBLPHXGT-AVRDEDQJSA-N 570.230 5.750 50 1 KKGF COc1cc2c3c(c1)O[C@]1([C@@H](Br)C[C@H]4[C@@H]5CC[C@H]6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587411064 BJWSVEOXGHTVPD-VDYRAAEESA-N 529.515 5.958 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587542442 HEVYKXNPQIMZPH-ALDRFCEESA-N 560.389 6.061 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CBr)(c2cccnc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963044426 WOSRBGIPWKZMSH-MXBOTTGLSA-N 605.435 6.259 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963098103 PCZAVSWDNRRXFF-HWOCYUIWSA-N 685.975 7.736 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc21 963176326 HLRUKYOEJQCVBH-AMGIVPHBSA-N 547.404 7.082 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCBr)(c2ccc3c(c2)CCC3)N1C(C)=O 963315559 CPPRVPRHDRNUEG-PMJNZQNSSA-N 806.732 6.007 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](c2ccc(OCC(=O)O)cc2)([C@@H](C)Br)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947115 KVNFYLOTBZZMBA-FBLTUHDZSA-N 746.746 5.314 50 1 KKGF COc1cc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2cc1NC(=O)C[C@H]1CCSS1 1857580391 FAGAHRRIHCAACY-HXUWFJFHSA-N 533.679 6.668 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)OCCCCBr)[C@@H]5CC[C@]43C)[C@@H]12 1857635227 GPBRRKCJJSEJJZ-MUNPRVTNSA-N 591.715 8.723 50 1 KKGF CS(=O)(=O)c1cccc(CNC(=O)c2cc(S(F)(F)(F)(F)F)ccc2Oc2ccccc2)c1 1857766243 BXGKNNGCQQJTOK-UHFFFAOYSA-N 507.502 6.470 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](c3cc[nH]c3)[C@H](C[C@@H]3C=CC=C[C@H]3C)[C@@H](OC(C)=O)CC(=O)C2)cc(O)c1O 2356373761 HNKFBPJOSIKFOX-CWTQHVKUSA-N 571.761 6.363 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356374276 ROGSHOOSHSNFDO-YZKKTHSGSA-N 861.136 8.497 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@](C)(O)CCCC(C)(C)OO)CC[C@]23C)C1(C)C 2356448119 PCHIVLNSEKZZQK-YVYMBURUSA-N 520.795 7.793 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12CC[C@@H](C(=CC=CC(C)=CCC=C(C)C)COC(C)=O)[C@H]2O 2356611144 LMEBPARQXLCYCI-POJKDAIOSA-N 682.983 9.233 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(CO)=C2OC)[C@H]5C)c1 2356806091 AEUVQXWHNYHEBP-PAMYEIDLSA-N 802.156 9.328 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@@H](C2(c3ccccc3)CCCCC2)SSC1 2356817669 DMIVCGWIPGDEJO-ZGEQKSCTSA-N 646.919 7.655 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@H](O)C2CCCCC2)C1 2356875076 ZZABLJOOFAZANW-NMELJEAESA-N 945.346 6.844 50 1 KKGF CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCBr)C/C(=C\CCCC(=O)O)C[C@H]12 13890285 JBOMKSHMNRADSH-WGHLKPBWSA-N 505.493 5.090 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCC(N4CCCCC4)CC3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145558 RRHYIINQXNVNQU-GYIOMDSXSA-N 641.941 7.683 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2)nc2cc3c(cc12)OCO3 49757249 JGVOJZKNUDBEQI-UHFFFAOYSA-N 523.420 6.559 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CNCC1CCCCC1 85544421 NBOYRKMILJEXDZ-GOKAMREISA-N 640.950 5.710 50 1 KKGF biogenic,in-vitro CNC1=NCC[C@@H]2SSC[C@H]([C@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)Cc3ccc(O)c(c3)O[C@@H]3CCC[C@@]2(C3)N1 85597173 FDLSNJROBWZSFO-BELDFKFQSA-N 778.994 6.223 50 1 KKGF biogenic,in-vitro COc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)N/N=C\c3ccccc3Cl)cn4C3CC3)CC2)cc1 98082762 AAWCKNPEBAQLKD-HQDYHJHZSA-N 574.056 5.228 50 1 KKGF COc1ccc([C@H](CC2CC2)NC(=O)/C(C#N)=C/c2cccc(/C=C(\C#N)C(=O)N[C@H](CC3CC3)c3ccc(OC)cc3)c2)cc1 103262718 WVGPJYVNGQBNFQ-QZXUYLOWSA-N 614.746 6.833 50 1 KKGF CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c2c(c(O)c(CNC5CCC(=O)CC5)c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@H]1C=C2 150343142 IQJAIWZNXPAHAL-XNBKUFGMSA-N 1025.300 8.883 50 1 KKGF biogenic,in-vitro C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO[Si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c1ccc(C(=O)NN=C2[C@H]3CCC[C@H]2[C@H](c2ccc(Br)cc2)N[C@H]3c2ccc(Br)cc2)cc1 299847715 NWWOQXMAUFQTIH-QORCZRPOSA-N 582.340 6.382 50 1 KKGF CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C 586919854 JFWLRGJMMNRZAS-VILRQFLJSA-N 840.731 11.706 50 1 KKGF COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144461 ZEHKRLTUGUKGCQ-UHFFFAOYSA-N 567.305 8.163 50 1 KKGF CC(C)COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br 587191054 ONBUUTPEZDKKCM-OKHBASSRSA-N 712.770 8.392 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587331837 KEJOMNCVRTYYGP-PORUBVKGSA-N 707.210 7.775 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Oc3ccccc3)cc2)([C@@H](C)Br)N1 587670184 IOGYAMCWQPOPII-DQIAKBPPSA-N 519.252 6.942 50 1 KKGF COc1cccc(C(=O)[C@H](Br)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587671855 VCSXDVUZSCBZMK-BXUPLMHSSA-N 577.288 6.030 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 587711180 WHOQSIWAAXRHMA-XUSGNXJCSA-N 519.764 5.052 50 1 KKGF O=C1OC[C@]2(O)Nc3c(c4cccnc4c4ncccc34)[C@@H](c3cccc(S(F)(F)(F)(F)F)c3)[C@@H]12 653687576 KDBMMZBNUHNRBO-WLENULPWSA-N 509.456 5.859 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677629 QSZYSEBUFPBICN-RBISFHTESA-N 583.047 6.255 50 1 KKGF C[C@H](Cl)[C@@]1(c2ccc3c(c2)NC(=O)CO3)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963013026 HXNGSAMNTGMKTC-KNUBVGNGSA-N 564.425 5.175 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2)C2=C(CC(C)(C)C[C@]23N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc23)N1 963172540 DBJHACNXXXZBEP-SNUWEPMUSA-N 542.001 6.412 50 1 KKGF CC(=O)N1CCc2ccc(C(=O)[C@@H](C)Cl)cc2[C@]1(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)NCCc2ccccn2)c1 963549009 IKHZESHABXXKBZ-CGKQSPDFSA-N 623.075 5.908 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]34CC[C@@H](C)C[C@H]4Br)nc(Cl)nc21 963916506 SWZLUBSAZINHES-CGROQTEOSA-N 504.860 5.608 50 1 KKGF COc1c(Cl)c(C(Cl)Cl)cc2ccc3c(c12)C(=O)c1c(O)c2c(c(O)c1C3=O)[C@@](C)(OC)OC2=O 2356328347 SWCJMEFTOZERMB-DEOSSOPVSA-N 537.735 5.154 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c(CCCCC[C@H](Cl)CCCCCC)c(O)c1[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 2356352360 RVFXECPBKXNNPT-FLYUAQGKSA-N 835.988 8.284 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(C[C@H](NC[C@H](C)O)C[C@@H]5CC(C)C)C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356370544 BUXRLMIVRPHVIY-IPQDKNBXSA-N 854.138 5.205 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)C=C[C@@H](C)C(C)C)CC[C@H]4[C@]34CC[C@@]2(C1)OO4 2356388530 JBMMUQVRNSPMJR-NPVWRYPOSA-N 697.142 13.510 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSSC[C@@H](C3)C[C@H]12 2356585308 LMUGFHQOWDKHKQ-BGVMEQQWSA-N 700.111 10.373 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356745138 GWZSXWABUWZXBB-DEIWWDIGSA-N 703.021 6.587 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356778027 KKFCKVHXFPWSKN-OTWHBWGHSA-N 803.138 6.438 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356828064 IRWPIYKCKOBIQT-VSUDHBCLSA-N 941.270 7.604 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cnc4ccccc4c3)ccc2[nH]1 29226242 PWMPHXPEXDVXIW-GOSISDBHSA-N 662.024 6.944 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1-2 43523848 UQVDZBYEFISGNU-LCINFKEOSA-N 552.251 6.778 50 1 KKGF CC(C)[P+](Cc1ccc(Cc2ccc(C[P+](c3ccccc3)(c3ccccc3)C(C)C)cc2)cc1)(c1ccccc1)c1ccccc1 84730079 RYYBZIIGPTZALR-UHFFFAOYSA-N 650.827 10.431 50 1 KKGF CC(=O)Nn1c(Cc2c(NC(=O)CCl)sc3c2CCCC3)nnc1SCSc1nnc(Cc2c(NC(=O)CCl)sc3c2CCCC3)n1NC(C)=O 95615626 FIMQVQVVIKFGOF-UHFFFAOYSA-N 811.869 5.308 50 1 KKGF O=C1N(CCCCC[C@@H](O)Br)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCC[C@@H](O)Br 96126606 JHBZEJFCXWXNHI-PUNYWJAESA-N 684.510 5.216 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1CCC2 103950661 DHLOGCWREVORLD-LJQANCHMSA-N 509.387 6.185 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2cc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 149472828 SZZCEUUSTCQTDR-NNVROAHOSA-N 522.584 5.635 50 1 KKGF CCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCCCCCO[Si](C)(C)C)O[Si](C)(C)C 238733949 HBNCJFAXTOPHAP-NSOVKSMOSA-N 533.075 10.150 50 1 KKGF Cc1ccc2c3c(cc(-c4ccc(NC(=O)CI)cc4)nc13)-c1ccccc1C2=O 586996036 LZCGNWOQOWKWGY-UHFFFAOYSA-N 504.327 5.795 50 1 KKGF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587141762 BOLHMQKYYGXDIQ-SGTLLEGYSA-N 636.840 8.905 50 1 KKGF O=C(N[C@@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 587217771 FROIAZKPWDWUEG-SFHVURJKSA-N 532.332 7.502 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587497956 DTKAYPCPZOBOAD-BXTAMZSSSA-N 541.570 7.046 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)c(F)c(F)c(F)c1F 587556300 NYYCJQORKUTIGV-LRTDBIEQSA-N 501.201 5.340 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 587673836 QRFNNSRIGGBJAV-MQNRADLISA-N 529.247 7.055 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 587674082 SLVBILONBKORQG-YEBMWUKDSA-N 601.141 7.055 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 587684473 KPGDJMHAEDXKAN-YMXBGEKHSA-N 513.794 5.136 50 1 KKGF CC1=C([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 587713484 DCUYIRPSTDOMCL-JYWYXVDQSA-N 606.979 6.854 50 1 KKGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F 587716429 ZYWRZOZQBDTJFH-YPMLDQLKSA-N 511.151 5.788 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 587727324 NXSPOWVGFXJOGK-RZFZLAGVSA-N 540.235 6.384 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3ccc(-c4sccc4Br)cc3)N12 962647955 VOIAOWRSAQGFBF-IZZNHLLZSA-N 586.349 6.463 50 1 KKGF Cc1cc(C)c([C@]2(CBr)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c(C)c1 963064993 HYOGHNSWIGGYPD-SBZVUBOMSA-N 571.512 5.729 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](/C(C#N)=C/c2cc(OC)c(OC)cc2[N+](=O)[O-])(C(C)(C)C)N1 963162062 MVQIQAPFBANGQX-FQHRSSEGSA-N 737.857 7.741 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c1N[C@H](c1ccc(C(F)(F)F)cc1)C[C@@H]2c1ccccc1 1857762753 PNWNLPBPOFJUBW-JSOSNVBQSA-N 553.564 8.034 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@H]5O)C1(C#CO2)CCCC1 2356366418 HWHPXBFDJJMEAV-HIWWFMPGSA-N 805.079 8.090 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C2CCCC2)Cc2cccc(c2)C1 2356367943 GQYRGOQYDXHIHE-WFKGQNBRSA-N 753.081 6.735 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CC[C@]5(CCCC56CCCC6)C4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356437653 ANLZXHMNNZCQLF-ZJTMDEGOSA-N 897.125 6.736 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2(c3ccccc3)CCCCC2)SSC1 2356463015 LUTZEMGCOHRSRV-YQPGIBNTSA-N 644.903 8.655 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](CN2C=CNC2)SSC1 2356810729 BAXOEYXEVQMVQJ-UPULCKDPSA-N 594.803 5.792 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356836872 LEOPHMYTMTZZMW-LAZJWOSSSA-N 639.968 7.292 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNC7=CC(=CCN7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356837831 LNNLRSZKMBUXHB-LZIMLHETSA-N 674.929 7.306 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356841516 NJPUDJCMEOMTCY-TUBIRUFXSA-N 847.113 5.015 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCC4CCC(CC4)[C@@H](CC1)[C@H](O)C2)CC3=O 2356859813 TYUQHHJHZZUNDW-ISASYIRHSA-N 983.399 9.347 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC(C)(C)OO3 49889469 MFFLTSFHHILDEN-VZDSLEPXSA-N 580.715 5.572 50 1 KKGF O=C(N[C@]1(C(=O)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1)c1ccccc1 82181629 SDPCVQJBHCOAHU-JXKGKHKJSA-N 706.810 7.483 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 101837539 RJGALAVALLVPKP-FCVNTBDSSA-N 522.482 6.436 50 1 KKGF CC[C@H](C)[C@@H](NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)c(C)o1)C(C)C 150608053 ZVGPASHTIWXOAA-KITINDFRSA-N 941.903 6.381 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](Br)[C@@]4(Br)C[C@@H](OC(=O)CCCCCCCC[C@@H](Br)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C 169302551 DDGNEKXRGYCDNR-YSZRCPINSA-N 872.544 13.190 50 1 KKGF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@@H](CCCc1ccccc1)C[P@@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 169370815 JPTZDOYPNCQOTF-SBGCIEJWSA-N 816.679 6.588 50 1 KKGF CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 253689831 REXRRVDGTFBNLC-NNTASTNUSA-N 632.791 6.494 50 1 KKGF O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)[C@H]1[C@@H](c1ccc(O)cc1)O3 587282448 MQSCSHXPDBBBKZ-ZWQRWEADSA-N 760.417 5.041 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)[C@H]1c1ccc(F)cc1 587323952 UWNPGNOFRQDTQV-UGKGYDQZSA-N 551.162 5.810 50 1 KKGF O=C(Nc1ccccc1)[C@H](Cl)[C@]1(c2ccc([N+](=O)[O-])cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587545928 SZXWRLGETWRRPH-RXWNPYQGSA-N 530.920 5.404 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587674476 WYKFQNLDXQXDFE-YYSFKGJASA-N 512.044 6.076 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](Cl)c1ccccc1 587880295 WAELAEDOUVIENF-XMMPIXPASA-N 530.795 5.531 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3ccc(O)c(-c4ccccc4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587926765 NNOHZZBVKWTCMQ-TXGXKAIYSA-N 533.621 6.142 50 1 KKGF COc1ccc([C@]2(CCCCCCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 962401977 JKKOVDBFLSNTGM-PRDAIKMNSA-N 641.164 7.402 50 1 KKGF Cc1cc([C@@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C)n1NC(=O)c1ccccc1 962949457 FQAVBOAWLJOUMG-HHHXNRCGSA-N 532.006 5.641 50 1 KKGF FC(F)(F)c1cccc2c1[C@@](CI)(c1c[nH]c3ccccc13)NCC21CCOCC1 962954411 JFWUIFLMDDRQGG-JOCHJYFZSA-N 526.340 5.517 50 1 KKGF Cc1ccccc1[C@@]1(CCCCCCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963021819 ROHRGJBBLLLERF-DHIFEGFHSA-N 549.498 7.324 50 1 KKGF Cc1ccccc1[C@@]1(CCCCl)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963582958 PLOMZWOSIQLSCE-PMERELPUSA-N 566.023 6.929 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@]23c2cc(Br)ccc2OCC[C@@H]3Br)c1 963584046 SAQCSDOTCYOTEK-LITSAYRRSA-N 689.326 6.910 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc(F)cc1F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963805357 CVUQFCYJZHFOQC-NDEPHWFRSA-N 569.402 5.369 50 1 KKGF N[P@](=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl 1772631514 AXVWVFHQMYQWLK-SJARJILFSA-N 684.920 7.294 50 1 KKGF CCCSC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857742280 BSYFOZJMVYISHK-LVMJEYPOSA-N 547.802 6.221 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@H]1C#CCc5c(cc(OC6CCCC6)c(O)c5OC)[C@@H](O2)[C@H](O)[C@H]31)C4 2356353006 GBZYPCOFHCQPPY-QDJFXZCLSA-N 700.919 8.451 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCCC[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356355764 GYAYCKCNUPDZHZ-ZNTRGDBZSA-N 864.180 6.483 50 1 KKGF CCCCC[C@@H]1CC[C@]2(CC[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OCO)c3)[C@H](O)C[C@@H](OCO)CC4)C2)C1 2356356934 OSEVPXPRIUAFDL-TXRTYQJBSA-N 795.070 6.790 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356375550 GWJBEOPSMZHVMQ-XEFRIKGMSA-N 779.082 7.350 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356389681 DITHSGNSWNYCTL-WPZSOONWSA-N 803.141 7.739 50 1 KKGF C[C@@H]1N[C@H](CCCCCCCCCCCC=C(C=O)CCCCCCCCCC[C@@H]2CC[C@H](O)[C@@H](C)N2)CC[C@@H]1O 2356478201 VQQFMYFBGVBDNZ-GTSMDSOPSA-N 576.951 8.307 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356673040 GBRNLMZUGJLBJN-HDOMREKFSA-N 931.227 8.593 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2)N1 2356754949 WESNDGOXVMPKAH-CKKGKFQNSA-N 797.097 7.295 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)C[C@H](Cc3cccc(O)c3)CC3(CCCC3)C1)CC[C@@H](O)CC(=O)CC2 2356770063 WBLWOSLSSMWSRB-ZFEQQGTGSA-N 991.330 7.962 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H]2NC[C@@H](c3cccc(c3)C1)[C@H](C)N2 2356779058 KKTLSSHWAXMJBQ-MAPHZHEZSA-N 701.993 5.013 50 1 KKGF CC1(C)[C@@H](Cl)C[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)c(Br)c(Br)c14 2356800404 QAJAEFHWLZNVNF-YLBOFOOLSA-N 619.539 5.231 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@H](O)[C@@H]3C[C@@H]1CC[C@H](C3)C2 2356823874 GPRGZRZKDVPHSP-JYFURVRZSA-N 828.154 6.335 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNC1=CC2=C(CC[C@@H]4CCC[C@]24C[C@]2(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]2O)CN1 2356843894 NQQQWBDMWPYREV-GYSUEZPDSA-N 943.194 5.832 50 1 KKGF O=C(CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3c2CCCC3)n1NC(=O)c1ccc(Cl)cc1)NNC(=O)c1ccccc1 72174421 IVVIGIZSDTXDPN-UHFFFAOYSA-N 700.246 5.652 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C1(C/C=C(\C)CNCC)CCCC1 85544455 XBWXSIVPEMEOMI-YLXBLZJPSA-N 626.923 5.320 50 1 KKGF biogenic,in-vitro CCCOP(=O)(OCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 103210677 PUQBNDUKABMZJY-ZZIWUOEGSA-N 501.589 5.736 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@H]1SS[C@@H]3C=CC[C@H](CC[C@H]4Cc5c(c(OC)cc6c5[C@@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 150342936 QZYOKYZZNZSPPP-NFKUIGADSA-N 670.849 7.447 50 1 KKGF biogenic,in-vitro N#C/C(=C\C1CC1)C(=O)NC1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 205069985 RXYPTXYIFZSDPR-LTGZKZEYSA-N 519.609 5.328 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC[C@@H](Cl)COS(=O)(=O)O 231928841 WAZWQAUPFQVNCE-ZYODCECPSA-N 703.015 8.292 50 1 KKGF COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=NN(C)C(=O)OC(C)(C)C)Cc3ccccc3)oc12 253685518 YDVAWXQBPUJZSO-ZEQRLZLVSA-N 564.683 5.166 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299818531 SBWFAIGFKMBQFX-MBAFDQMJSA-N 798.421 5.306 50 1 KKGF COc1cc(NC(=O)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc(OC)c1OC 299826551 MTMGTRCLVJNDEV-UHFFFAOYSA-N 530.625 5.195 50 1 KKGF CCO[Si](OCC)(OCC)O[C@@H](C(=O)C[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[C@H]1OC[C@]13OC(C)=O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 299846698 CTHNEDBXNMAQIV-KJSHSVQTSA-N 968.179 5.493 50 1 KKGF O=C1c2ccccc2[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 587053545 DATDWUNUNCRURT-DQEYMECFSA-N 602.456 9.799 50 1 KKGF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587195259 FQBUVUDUYFVJOZ-UHFFFAOYSA-N 542.368 8.330 50 1 KKGF C[C@@H](c1ccccc1)N(Cc1nc2ccc(C(=O)NN)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587200604 KMUWNJVKDFKLML-FQEVSTJZSA-N 531.616 5.679 50 1 KKGF CCC(=O)O[C@]1([C@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587381934 ISYRRKJNSQCDMD-RJIIRPAHSA-N 614.154 5.829 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@](C)(CC)NC(=O)c1cc(Cl)c(C)c(Cl)c1)CC2=O 587458874 LUOLQMDTTZJPRN-LOSJGSFVSA-N 512.861 6.501 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674473 WYKFQNLDXQXDFE-DYBLOJMWSA-N 512.044 6.076 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C2/NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 587694574 MFJDDSMUCCZZHL-XZJFFZTQSA-N 572.265 6.263 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 587710974 IITVOCACBYKTFU-HUTHGQBESA-N 549.122 6.799 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(I)I)(C(F)(F)F)N1 587740555 YHWXYPDAVAKQOQ-GCXOYZPQSA-N 577.923 5.076 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 961750895 PYLYGLQTISFZBC-SSEXGKCCSA-N 602.400 8.332 50 1 KKGF Cc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(C)cc3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962566996 BQIQYUITPAXRFY-YPQQXIHJSA-N 701.617 7.849 50 1 KKGF FC(F)(F)c1ccc([C@@]2(CCCCCCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962962483 VUHMKHNAVAQPLD-XMMPIXPASA-N 519.957 7.418 50 1 KKGF Cc1cc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1cc(F)cc(F)c1 963072360 YWGKZHYIVAHDMB-KWHBQZNLSA-N 614.089 6.333 50 1 KKGF BrCC[C@@]1(c2ccc3c(c2)CCC3)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963817190 LIJCBJDETFNZCC-LJAQVGFWSA-N 501.468 6.410 50 1 KKGF Cc1cccc2c1[C@](C)([C@@H]1C=C[C@H](c3ccccc3)[C@@H]3C(=O)OC(=O)[C@H]31)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963918028 XKCBHUASULCFRR-GNIRUOHESA-N 545.632 5.132 50 1 KKGF COc1ccc([C@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccc(Cl)c(Cl)c3)O2)cc1O 1772587948 FJGPMGJVMWPGNS-MHZLTWQESA-N 528.388 6.332 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@@H]2CCN2C(=O)[C@@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911571039 GZIINNYQRQLFNL-WNCULLNHSA-N 643.551 5.102 50 1 KKGF C[C@H](O)CCC[C@@H]1[C@H]2C=C[C@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356358119 XCWPIXUKSOQAFN-QMLWTLALSA-N 914.203 8.484 50 1 KKGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCC=CCC=CCC=CCC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356637840 HTDLEWJHDXOCTB-PQJFIKKBSA-N 638.842 7.381 50 1 KKGF CC(C=O)=C[C@H](C)CC=C[C@@H]1[C@@H]2O[C@]2(C)[C@H](C)[C@@H]2[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]12c1ccc[nH]1 2356718391 UXYUXCFJWUXAND-AECQCSLDSA-N 511.666 5.242 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NC3)N[C@H]3CC5=C[C@@H]2[C@]41C[C@@]1(O)[C@H](O)[C@H](CO)O[C@@H](Oc2cccc4c2C(=O)[C@@]2(C(O)=CC(Cc5cccc(CO)c5)=C[C@@H]2C4=O)[C@H](CCCO)SS3)[C@@H]1O 2356817723 DMWUXONYXRVJTH-DXAOGQKXSA-N 993.210 5.033 50 1 KKGF O=C1N(Cc2cccc(CO)c2)[C@H]([C@@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1 14943314 YZNMWSWYDOVEJX-YLWZKEKXSA-N 629.595 5.456 50 1 KKGF Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)CCCC[C@H]4CCSS4)ccc3n(C)c12 26277572 UUKKBMIXYQVPEY-NRFANRHFSA-N 564.777 6.099 50 1 KKGF C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 42835201 QUBOVNLOOLVJRA-CZFRINIUSA-N 592.729 7.576 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(Cl)c1)C(=O)Nc1ccc(C)cc1-2 44052495 IGBYQXCLGWWTBS-HWKJUCOASA-N 541.699 7.523 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)[C@@]1(C)N=C=O 44093834 RLUJGLOOFQNTGM-QFPULOKLSA-N 509.731 6.843 50 1 KKGF COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(Cl)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84706600 WRMUAKMXTSXXMQ-DEOSSOPVSA-N 534.447 6.314 50 1 KKGF C=C(/C=C/C=C(/COCC)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CN[C@H](C)CCOC 85544261 KMSAOIKHLIDXRK-WVMLHJEJSA-N 658.965 5.599 50 1 KKGF biogenic,in-vitro CCC[C@H](NC(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)N[C@@H](CCC)c2ccccc2)n1)c1ccccc1 103262706 FIEQNHGKZFYXOZ-LMFDWAAASA-N 531.660 6.211 50 1 KKGF CC1(C)CC(OCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC(C)(C)N1[O] 139923801 JUEDERDJGKKPLH-UHFFFAOYSA-N 573.802 8.485 50 1 KKGF in-vivo CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@](C)(O)[C@@H]4CCCNC4)[C@@H]3CC[C@@H]2C1 169851869 CCSNJCXSNTXCPB-OJJCUIFBSA-N 517.915 7.786 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c3c(N)ncnc32)C1 217011327 SWIRSNSMOPSSRJ-QRYXZWMLSA-N 541.562 5.169 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](C)c3ccc(CBr)cc3)[nH]c21 586974276 USFHLUBNHOEWSM-HSZRJFAPSA-N 679.659 8.870 50 1 KKGF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587108607 FLNQSYUKRVSEAV-UHFFFAOYSA-N 511.188 7.367 50 1 KKGF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)CC1 587172703 KYBDTXWNSMVYSK-UHFFFAOYSA-N 636.460 7.581 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587325888 HKFFKFRIUYPZHH-OFSOJUDTSA-N 562.380 6.209 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)(c1cc(C)n(NC(=O)c3sc4ccccc4c3Cl)c1C)O2 587413000 LCQDYMVTRAAOQT-AREMUKBSSA-N 528.461 6.347 50 1 KKGF CCCc1c(O)ccc2c1O[C@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(Cl)C5=CC(=O)C[C@H](CCl)[C@]5(C)[C@H]4CC[C@@]31C)CC2=O 587462155 WPFZKPTZPWNARU-SMYISXBZSA-N 629.621 7.710 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 587685291 PJOGVUMRGRTZTE-VDBVYFBLSA-N 548.239 5.789 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587689524 TZKLNPQWZGZNJE-PGGUUEOZSA-N 577.878 5.586 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(Cl)ccc(Br)c2F)N1 587720993 UYBVANFEJVCQEG-RBHXEPJQSA-N 544.459 6.316 50 1 KKGF C=CCN/C(SCC(C)=O)=C(/C#N)[C@@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)c2ccsc2CCN1Cc1ccco1 962703391 GWGZIUWJCDSBOH-RVZPTRKRSA-N 657.865 7.427 50 1 KKGF CN1C(=O)C[C@@H]2CN[C@]3(c4cccc1c42)[C@H]1C[C@H]2[C@@H]3[C@@]3(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]2[C@]3(Cl)C4(Cl)Cl 963025068 JIYNFZOUAWYOKX-GPWYQZMVSA-N 553.144 5.188 50 1 KKGF NC1=C(C=O)[C@@]2(c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c2cc(Cl)ccc2O1 963041018 PXWDCYBQIQHISH-ANHUGMMASA-N 629.015 5.884 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)NCCc1c(C)ccnc15 963070040 DZLBXWXLHUGXJD-QRJYBLILSA-N 597.171 5.877 50 1 KKGF C[C@H](Br)[C@@]1(C2CCOCC2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963188011 MNOPNXMYCFHCLV-UWCUXIGMSA-N 580.475 5.945 50 1 KKGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963929385 VHKZFJLRCLKFDP-JYRCXFKTSA-N 553.494 5.508 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](C)(c2cc3c(cc2NC(=O)[C@@H](C)Cl)OCO3)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938804 QPWLQLFFUPFBLX-CQMKXFDUSA-N 729.321 5.382 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@@]12O 2356353439 OCOAVSLDWWRZCV-SEISBJMLSA-N 952.426 8.969 50 1 KKGF CC[C@@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@@H](CSSC1)C[C@H]([C@]1(C)C=CC[C@H](C)C1)C2 2356376722 WFDNBKYCWFAFGP-GYZZEHAISA-N 548.902 9.904 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCCC3)c2)ccc(O)c1OC 2356521600 FCVYNIPQSGAOFH-RGLFBMQPSA-N 988.326 10.145 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@](O)(CO)C[C@]35C 2356645107 FWIOHTNJJIBGEH-JUHQGGEJSA-N 966.313 5.887 50 1 KKGF CO[C@H]1[C@@H](C)[C@@H](CC(=O)OO)O[C@@H]([C@@H](C)[C@H]2O[C@@]3(CC[C@](C)([C@@H]4CC[C@](C)([C@@H]5O[C@H]([C@@H]6O[C@](C)(O)[C@H](C)[C@H](OC)[C@@H]6C)[C@H](OC)[C@@H]5C)O4)O3)C[C@@H](OC)[C@H]2C)[C@H]1C 2356703998 DHYSCHSUXDLLKZ-ZTRAZARCSA-N 815.051 5.540 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@@H](C)CCSS3)[C@H]2O)c1O 2356739028 VKONUJCOSYXSTI-GWPQHTNKSA-N 738.965 8.083 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NCC[C@](Cc4ccccc4)(SSC1)C3=C2 2356837356 LJOADYKEOBTNEM-OAYMFJJQSA-N 604.838 6.401 50 1 KKGF Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 28826820 HPZPQXBIIPRIRD-HCWVWQPCSA-N 681.963 7.261 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)ccc4cn3)ccc2[nH]1 29241473 LCSJYDYQPWIEAI-GOSISDBHSA-N 692.050 6.952 50 1 KKGF O=C(Cn1c(CSc2ccccc2)nc2ccccc21)N/N=C\c1cn(Cc2ccccc2)c2ccccc12 84619106 UBVSJPYQWSTXIQ-APTWKGOFSA-N 529.669 6.482 50 1 KKGF C/C(=C/C[C@@]12OC(C)(C)[C@@H]3C[C@@H](C=C4C(=O)c5c(O)c6c(c(C/C=C(\C)CO)c5O[C@]431)O[C@](C)(CC/C=C(\C)C=O)C=C6)C2=O)C(=O)O 96903042 XRBAWHATHDIBFU-XOSCNRPVSA-N 658.744 5.391 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(C(=O)/C=C/c4ccc(Cl)cc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102863466 QGHHIYFJVOKDDW-DBPLJUOASA-N 569.094 6.840 50 1 KKGF CC(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 149475807 FXEUQEMBQKIUER-UMSHPIDHSA-N 525.588 5.276 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 299825551 MQTYXBYTHJGYMD-GKVNEZTPSA-N 588.655 6.262 50 1 KKGF COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=NNC(=O)c3ccccc3)CCc3ccccc3)oc12 299855778 GEBAXZVVTWYJAA-SVBPBHIXSA-N 568.674 5.119 50 1 KKGF COc1ccc(OC(=O)[C@H](CCCCN2C[C@@H](Cl)CC(C)(C)C2)N2C[C@@H](Cl)CC(C)(C)C2)c2ccccc12 299861016 HLJCZINRAJJEGO-FXSPECFOSA-N 563.610 6.971 50 1 KKGF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587040703 AGRZCSRKVDLPBM-MRXNPFEDSA-N 558.392 7.269 50 1 KKGF O=C(Nc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1)c1ccc(F)cc1 587164246 ZGBNTHITCYJQKG-UHFFFAOYSA-N 536.295 8.041 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4ccccc4)[nH]c3cc21 587187828 LSBFBEBQYIYMOT-XIEYBQDHSA-N 609.730 7.887 50 1 KKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537430 FKXJYYVTBULQBL-LYECHGDVSA-N 522.233 5.689 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl 587608146 PGZRDDUWCPEJDG-MBSDFSHPSA-N 572.260 5.745 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 587672816 IGIRFVKHTPOOJA-WNSKOXEYSA-N 505.225 6.553 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 587674087 SREGIMYNPPRZRR-OZAJXLCCSA-N 515.220 5.854 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 587688297 KXUYJFLCHZLYSS-NTQRDKFWSA-N 610.565 8.470 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587689708 VCWUVFVOGDTXLP-ODCWNRFASA-N 505.859 6.411 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(Cl)c1 587719751 QNYGOZQOXYZOBB-SPSFWMDKSA-N 514.241 6.805 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CCCl)(c2ccc(F)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962575386 VZCKYKSOBZHLIA-QLWXXVCSSA-N 575.011 6.493 50 1 KKGF COc1ccc([C@@]2(C(Br)Br)NCCc3cc(-c4ccccc4)ccc32)cc1OC 962664228 FXRPQASBZWBEFK-XMMPIXPASA-N 517.261 5.876 50 1 KKGF COc1ccc([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1F 963421049 YFIMHCWQYZZJCL-CUNXSJBXSA-N 537.385 5.106 50 1 KKGF N#CSC[C@]1(c2sccc2Cl)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963583826 RGAFEQMVBNWQFH-AREMUKBSSA-N 587.048 6.531 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937148 CQZXAIYNUVETNK-FTNBNKICSA-N 920.584 8.239 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356295028 XMXSOSPFFYSUEX-LUWYUZSYSA-N 797.101 6.077 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(C)O)[C@@H]1O)CCC=C(C)C 2356349651 LAAZINDHBVPJPR-JSTPNIRBSA-N 556.784 5.377 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)CN[C@@H](C)CCOC 2356360708 MCLJQJFGZWVVNY-GUAKHPALSA-N 701.046 6.503 50 1 KKGF CNCCOc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@H]1CCO 2356366694 OPOPURQPHRKYOI-GKBUHOGASA-N 639.792 5.610 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSCC2(CCCC[C@@H](O)C1)CCCC2 2356367464 DOMGIDUOQAYYCW-LHOOQRRISA-N 969.412 11.484 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@H]2C=CC[C@@H]3O 2356554672 VINHIYDMZWIQQJ-CGKZLTOZSA-N 986.355 6.113 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@](CC)(C#C[C@@H]3C=C12)C1(CCCC1)C4 2356809957 AUNFOMAWVKQADD-WPTQLRCUSA-N 884.262 7.895 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@@H]3[C@H]1OC4=O 2356814860 CLVUQFYVVGXHNJ-BFCCOTMESA-N 806.967 6.312 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356827770 IPHYYBAICKGLSP-FJHXUUHISA-N 924.151 7.654 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc3c(c1)Cc1cc(NC(=O)CCCC[C@@H]4CCSS4)ccc1-3)O2 27430519 AUHZRRXAPAUGID-URNDWHGUSA-N 616.849 8.264 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 36269539 HAPDXTZSXLSDOY-URLMMPGGSA-N 631.537 6.706 50 1 KKGF Cc1ccc(N)cc1Nc1c2ccccc2nc2c(OCCCCN(CCCl)CCCl)cccc12 44053084 PSXSJJASGORJIU-UHFFFAOYSA-N 511.497 6.961 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@@H](C/C=C\CCC2CCCCC2)CC[C@@H]1CCN 85505483 BKMFVVWBAITYIA-JUIVWBCUSA-N 696.076 9.231 50 1 KKGF biogenic,in-vitro O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 95539241 ACUFDVOLVXEBHR-YDMWRCMNSA-N 764.928 9.279 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348696 GFDLEAMWTLXELE-CSJIUKLKSA-N 967.396 11.230 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2ccc(O)nc2=O)O[C@H]1CNP(=O)(Oc1ccccc1)Oc1ccccc1 299806056 DXEQJDVNWKMZDS-GIFXNVAJSA-N 573.659 5.483 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(Cl)c(C(F)(F)F)c3)c1C)CC2=O 587460933 LEFXIIYRYYHIIR-VWLOTQADSA-N 526.382 7.524 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 587672790 HWSOLLQRZRSDID-VOIUYBSRSA-N 519.252 6.340 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)c2ccc(F)cc2)N1 587729457 GZLYNNZCNGXZFO-SHAMJUJCSA-N 508.765 6.135 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 587844116 MHKQRKPKROCUQN-GTJPDFRWSA-N 574.151 7.252 50 1 KKGF Cc1onc(-c2ccc(F)cc2)c1[C@]1(CBr)NC2(CC2)Cc2ccc(Br)cc21 961329780 ZMDYZVKGVLYCRZ-JOCHJYFZSA-N 506.213 5.868 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@]2(CCC3)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1 962632667 LLDOUXLVRAVDQV-UEHGQBMFSA-N 564.733 7.383 50 1 KKGF Cc1cccc(Br)c1[C@@]1(CBr)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962648000 VZCJBHFFCFBRMK-XZOQPEGZSA-N 518.249 5.043 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc(Cl)ccc2Cl)N1C(=O)c1ccc(Cl)cc1 963026826 WRVZGXNZSOEOID-GJZUVCINSA-N 548.253 6.762 50 1 KKGF Cc1cc([C@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 963092560 KNRWQASHZVHZHU-HCQHVFLSSA-N 747.339 8.678 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@@]2(c3ccc(OC)cc3)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963135804 CPRYHCMUCYTMGM-ZFEZZJPFSA-N 645.550 5.892 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C1 963149204 SQTSKWWHBFOOSY-JRZYIBAFSA-N 597.851 5.864 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCCl)(c2ccc(F)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381140 QCYBAOOBUZBVPV-AFPLUKJUSA-N 604.049 6.892 50 1 KKGF CCc1cccc(-n2c(C)cc([C@]3(CCl)c4[nH]c5ccccc5c4C[C@@H](C(=O)O)N3C(=O)c3ccccc3)c2C)c1 963421546 ZMZRFRILGQPFIP-BFGHFXMOSA-N 566.101 6.772 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cn([C@@H]4C[C@@H](OC(=O)c5ccc(Cl)cc5)[C@H](COC(=O)c5ccc(Cl)cc5)O4)nn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772602461 GWWFUNUACAYKKD-MRTYMYKUSA-N 755.652 6.149 50 1 KKGF CC1=C(CO[Si](C)(c2ccccc2)c2ccccc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857556230 RMFFHDFIUSTQLI-GCCZHMTBSA-N 666.931 5.767 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3cc([N+](=O)[O-])ccc3F)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857566723 YKQXZLKYELLNDI-KPEXSBQHSA-N 645.456 5.450 50 1 KKGF COC(=O)c1coc(Cn2cc(C[C@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](CCc4ccccc4)C3)nn2)n1 1857579546 HNUZCBONGBFTRB-CUYJMHBOSA-N 538.765 6.083 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@@H](O)C3CCC(O)CC3)C2)[C@H]1CC(=O)O 2356321510 VAAPPBOJWYZWOU-LFWJPGLDSA-N 724.042 6.559 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@](C4)([C@@]36C)[C@]21O 2356350848 KPKKTPFPKAKNDS-LCGOONTRSA-N 621.909 6.771 50 1 KKGF C=C1C[C@]2(CC[C@H]([C@@H]3CC[C@@H]4CC[C@H](O)C[C@]4(O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@H](c3cccc4cocc34)CNC(=N)N2)C1 2356360303 CRULUGJYGFUFIZ-GFXYCMJLSA-N 906.356 11.962 50 1 KKGF CCCCCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356364488 VEZOGQFECMNUIM-GLAJNCOLSA-N 668.026 7.083 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(C4=NC(=CC5=NC(=C2)C(C)=C5C)[C@H](C)[C@@H]4CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@](O)(C(=O)OC)C(=O)C3=C1C 2356422132 GLAOJBLMSMCECB-JOZOUGOTSA-N 887.175 10.731 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C[C@@H](NC(=N)N)CSSC4)O[C@@H]21 2356444949 PEERDASTVYCOSA-OZBCUBQQSA-N 706.887 5.721 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@H]2CN(CCCOC)CC[C@@H]21)C4 2356493546 WPQVFLINZAFPEF-GZAFFPNCSA-N 836.979 5.262 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356625346 JVPRJGVDJLHHPG-KMKNWIINSA-N 672.945 7.985 50 1 KKGF COc1ccc(OCC[C@@H]2C[C@H](C(=O)[C@@H]3C[C@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)OC(C)(C)O3)OC(C)(C)O2)cc1 2356709266 VSTLSDQPKNLANE-XNILUJEESA-N 690.950 6.820 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356741203 UXOKFKROLQSZEM-BTJUIPFNSA-N 761.101 6.994 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)CCCC(C)C 2356767876 IAQZLKZEXSJXOE-PLPQEOEDSA-N 623.919 6.388 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356768005 IOIGSXZZBSUSIN-JVYVYQESSA-N 930.335 7.112 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@H](NC[C@@H](C)O)C2)Cc2cccc(c2)C1 2356768381 NQXCHVHSIRKMST-MYRCQDOZSA-N 998.400 6.393 50 1 KKGF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)CI 43511502 PQFPUMUNFLHBGN-RASRKNKNSA-N 569.568 7.461 50 1 KKGF N#CC1=C(NC(=O)c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 102824694 FCWCHBXRGDAYBL-SANMLTNESA-N 593.492 5.417 50 1 KKGF CC(C)(C)[C@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 103278976 ZDWHUBGUAWRJFR-SCSAIBSYSA-N 546.200 5.846 50 1 KKGF CCN(CC)Cc1cc(N[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@]2(C)Br)[C@]53OO4)ccc1O 103295478 FECQSDBUOODKIM-RZQPRDIWSA-N 539.511 5.371 50 1 KKGF CC1(C)O[C@@](C)([C@@H]2CC[C@@]3(C)O[C@@H]([C@@](C)(O)CC[C@@H](O)[C@@]4(C)CC[C@H](C(C)(C)O)O4)CC[C@@H]3O2)CC[C@@H]1Br 140283123 IFHPYSVGNHWKDY-WTXLOAESSA-N 605.651 5.184 50 1 KKGF CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@](C(=O)c3ccccc3)(C2=O)C1(C)C 197431411 QSBKSFLMMQOILO-QHNOFHTGSA-N 534.693 7.064 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@]5(C)[C@H]([C@H](C)CCC(N)=O)CC[C@H]5[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 299847384 OWQBFKFZINYBFL-QKLJHVQXSA-N 647.850 6.533 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C(/CCc3ccc(Cl)cc3)c3ccccc3)nc2c1 587069575 KZCHFSXUKSSBCJ-ATVHPVEESA-N 563.817 9.810 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc4c(c3[nH]2)CCCC4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190710 NWEGFBJCFGHRMP-VRGZYXOBSA-N 615.859 7.474 50 1 KKGF COc1ccc(NS(=O)(=O)c2ccc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3c2)cc1 587190882 UHXVOLIXWBZKCT-LLYZYBLHSA-N 746.971 7.404 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 587325199 CQMKDAGMDNFQRJ-PQHLKRTFSA-N 504.001 6.686 50 1 KKGF O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc1C2 587325477 FYZGQLSPQPEEIY-IGYGKHONSA-N 547.409 7.017 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587328513 JHNNBBYUUJTIIP-XTEPFMGCSA-N 578.389 8.104 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)[C@H]1c1ccc(F)cc1 587332934 TXPJEGFRXGRTJH-UGKGYDQZSA-N 564.156 7.506 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(Br)c2)[C@H]1c1ccc(F)cc1 587338557 XNLSMOAQPHQDRN-RBBKRZOGSA-N 524.155 6.082 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@]2(C)CC[C@H]4[C@@H](CC=C5C[C@@H](OC(C)=O)CC[C@@]54CI)[C@@H]2C3)c1 587361158 XCWRXYINFYEZNA-YAKDODJGSA-N 687.618 8.980 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)CC2=O 587466539 OLCCJWYQXHPONM-IBGZPJMESA-N 541.038 6.767 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(C#N)=C2Oc3cc(N(CC)CC)ccc3N=C2c2ccccc21 587468120 IBBFIVVMDTVHCY-YTTGMZPUSA-N 519.601 6.356 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 587539271 VDAXNDSYHDSBEM-GRKNLSHJSA-N 535.393 7.542 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@H](Br)CC(=O)O)N1 587669533 DVXCKHUBZLICBG-CYKIYJRWSA-N 505.609 5.258 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 587685893 UMKDPJVDIKMWJC-LDLUVENISA-N 534.856 7.460 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587689540 UEBYEGXOBJLYIV-QFDBLCPBSA-N 562.266 6.178 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(I)cc1CBr 587895771 VPZKBKUNSMKEJZ-UHFFFAOYSA-N 537.022 5.203 50 1 KKGF COc1ccc2c([C@@]3(CCl)c4ccncc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c[nH]c2c1 962470347 BKQMGZYZDHSABE-QIKUIUABSA-N 594.067 6.314 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3ccc(I)c(C(F)(F)F)c3)N12 962658210 CMTVBOPBGOANTG-FCHUYYIVSA-N 619.219 5.595 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@]1(C)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177573 OEMCMSAXFUNXGR-AKCVMQLJSA-N 774.371 7.848 50 1 KKGF CC(=O)Oc1ccccc1[C@]1(CCCCCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963450378 TUOKNCCUCIPWAD-SUYBVONHSA-N 545.035 5.898 50 1 KKGF COc1ccc([C@]2(CBr)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)c(OC)c1 963915146 LVKGMDAJHVRAHY-AREMUKBSSA-N 572.891 5.485 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857578704 QDLRLYPWXMVZLU-UZJBXJGHSA-N 577.501 5.830 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857590286 UGNINGPMZFVBMM-INIZCTEOSA-N 513.428 5.526 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356292300 NXFPZSHTFVSHMR-JWRSAOCGSA-N 933.339 9.558 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1c(CNC)c(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 2356315379 STMCPQMAHPFADU-MIMNIAIVSA-N 955.256 9.074 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@@]4([C@@]21O)[C@@]36C 2356353502 PTVIWOACYRHCGM-QADHQEDDSA-N 621.909 6.771 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@]31CC[C@H]([C@H](O)[C@H](O)C4)[C@@]15C 2356357238 QXOHGBWUEARJIL-XLERXEJRSA-N 850.197 7.389 50 1 KKGF CCCCC=CCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356476867 RHGTXJLTQOSXCQ-PSEPKWPASA-N 711.125 12.420 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@]4(C)C[C@H](Cl)[C@](O)(C(C)(C)O)O4)CC[C@]23C)C1(C)C 2356588078 HVGFSQLIBCTJOV-CWHGOZPCSA-N 553.224 6.849 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)[C@H](CCCO)CC[C@@H]2[C@H](CC)N(CCCOC)CC[C@@H]21)C4 2356773237 UHFGKTBTSOTHFS-RIEZMYNPSA-N 955.155 5.481 50 1 KKGF CN[C@@H]1CSSC[C@H]2C[C@@H]3CC[C@@H]4CC[C@@]5([C@H](O)[C@H]1C[C@@H]1[C@@H]6CC[C@H](O)[C@]7(O)O[C@H](C(=O)Oc8c(CO)[nH]c9ccc%10cc%11ccccc%11cc%10c89)[C@H](O[C@H]15)[C@@]67O)[C@@]34c1ccc(O)cc12 2356773809 JIAJSTRUGRLNPQ-GOQZQKHMSA-N 921.147 6.146 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC[C@@H]1CC[C@H](CO)OC)CC[C@H](O)CC(=O)CC2 2356774851 DRSPIPLHTDUNAS-JSVWPVRXSA-N 933.247 5.631 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2O)C1 2356775008 HGXQCQDANOJDPX-SIVULPQUSA-N 813.140 7.832 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCC3CCC(CC3)[C@@H](CC1)[C@H](O)C2 2356779470 SKPGJXQIZQITBK-WCTNMECISA-N 991.418 11.431 50 1 KKGF CC(=O)OO[C@@H]1C[C@H]2[C@](C)([C@@H](OC(C)=O)C[C@H]3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]32C)[C@H](C=O)[C@@H]1C(C)=O 2356799656 URSGLXUHWJPRFU-KYLDBXRHSA-N 518.691 5.481 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc(NC(=O)OCc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC 5822409 YWYPFRDDRJYERQ-GOSISDBHSA-N 595.008 5.833 50 1 KKGF COc1cc(C(=O)NCCCCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC 14953174 NHKLRYYDKGDLDA-UHFFFAOYSA-N 562.711 5.743 50 1 KKGF O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NCc2ccc(C(=O)O)cc2)[nH]c2ccccc12)NCc1ccc(C(=O)O)cc1 27654096 WFDPOLGETIKDCU-UHFFFAOYSA-N 706.846 7.343 50 1 KKGF CC(=O)N[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(=O)c5ccc(C)c(N(CCCl)CCCl)c5)CC[C@]4(C)[C@H]3CC[C@]12C 42835095 SWOVZIKOZJHGJI-WAYVDWJSSA-N 603.631 6.451 50 1 KKGF CC(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(Cc3ccc(-c4ccccn4)cc3)NC(=O)[C@@H]3CN(c4cccc(C(C)=O)c4)C(=O)O3)OC2=O)c1 95544819 BEQKYIIVCGSEAQ-SOFKUOBMSA-N 824.891 5.126 50 1 KKGF CNC[C@@H]1CC[C@@]23O[C@@H]2CCc2cc(N)nc(c2)-c2cc(C[N+]4=CC5=CC=NC5=C4)nc(N)c2CSSCC[C@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@H](C1)[C@H]2OC3=O 150345617 FPRXORMVWDGXIU-IOIBNDMJSA-O 863.055 6.099 50 1 KKGF biogenic,in-vitro CNCc1cc(O)cc([C@@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 150349820 USPVSCRLUFBQMK-ZJMSEPCPSA-N 891.145 7.709 50 1 KKGF biogenic,in-vitro CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 150588042 MBARHZREGNNHPN-GIWKVKTRSA-N 773.946 9.551 50 1 KKGF O=C(CCN1CCCCC1)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 215609370 VOOISXHJKODODH-UHFFFAOYSA-N 506.478 5.429 50 1 KKGF CCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 253795414 ZYVYKCLKFGRXRO-ONZNNFHMSA-N 604.737 5.714 50 1 KKGF Cc1ccc(N(C)S(=O)(=O)c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 586930472 FGERQRRHXFDTMR-UHFFFAOYSA-N 582.414 7.783 50 1 KKGF O=C(Cc1ccsc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 587025554 HMCNATXBEAGDDX-XWIAVFTESA-N 570.447 8.119 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538017 MHEXPIYLGLICEV-AYFBPBTKSA-N 581.547 6.870 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c3ccccc3C1=N2 587573678 UGFPKWHZIBFRGF-ZBWWXOROSA-N 555.590 6.400 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 587673117 KLFIFEUDIRZERS-SBPDLHOHSA-N 579.392 7.223 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 587687513 HBJMRCQXHUMEEY-PWECECGKSA-N 519.842 5.784 50 1 KKGF COc1ccc(/C=C(\C#N)[C@@]2(C(C)(C)C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587729973 DNUBWHCFLWFEAU-IUGULFJTSA-N 517.439 5.997 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587855097 FSULGPSJWFTCPG-RXAIFQJESA-N 577.947 6.541 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](c1c[nH]c3ccccc13)([C@H](C)Cl)N2C(=O)OC(C)(C)C 962707826 KYVRCDPPSPMXKU-JMUVHQMNSA-N 513.009 5.829 50 1 KKGF CN(/N=C/c1ccc(-c2cccs2)s1)C(=O)c1nn(-c2ccccc2)c(=O)c2c1cnn2-c1ccccc1 1772606073 PBLNSQAGUMQHMC-STBIYBPSSA-N 536.642 5.468 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(C(=S)SCc4ccccc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857534849 HWLJWJZRKMYIEV-YKIRSKRLSA-N 518.745 5.030 50 1 KKGF Cc1ccc([C@H]2C(C#N)=C(NC(=O)C(F)(F)F)OC(c3ccccn3)=C2[S@@](=O)c2ccc(C)cc2)cc1 1857640627 OFWJLUQLWCADAZ-QSSUKDSPSA-N 523.536 5.403 50 1 KKGF C[C@H](N)C(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(OC(=O)N(CCCl)CCCl)ccc4[C@@H]3CC[C@]12C 2356336817 NRUFLTXGIPFVSH-JZOUHUPASA-N 511.490 5.080 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)[C@@H]7CCCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356353343 MMWJCJJXPCPHGR-YQDHDJOBSA-N 992.398 7.375 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC 2356415710 SZWLTTKBTHUVFJ-GQJXANSNSA-N 974.255 8.374 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@H]1CC[C@@](c5cc(OCCC(C)C)c(O)c(OC)c5O)(O2)[C@H](O)[C@H]31)C4 2356436115 BAJBXSGMUXLKLI-COLOCMDESA-N 708.939 8.648 50 1 KKGF CCCCCCCCCCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1 2356562988 LZMVCENJBDTSPS-QLNAACAYSA-N 627.347 8.744 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(CCCC(C)C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N[C@H](C)O 2356722289 BZCNQRGBAJRTJC-DDUIGITDSA-N 995.495 8.415 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356816001 MRPYBWQVQHMPLO-QVEYIJIPSA-N 674.865 5.565 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](N=NN)[C@H](C)C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC 2356820264 CSHSIRBPBCUSNC-IQSNUIOVSA-N 788.273 9.800 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356826859 HKUMPBZKBNEBMN-USFBIAFOSA-N 900.041 5.471 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)O[C@H](C(N)=O)C(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@@H]2C2=CCN=C2)c2ccccc21 2356844271 NTDHAHQMXPDKAH-HLNNOCMSSA-N 968.184 5.632 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)CC5=CN[C](N)C=C5[C@@H]2[C@@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]43 2356865101 FJSBGUVFNGCHTL-YKURQVDLSA-N 670.833 5.093 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 2356869111 XIASLSSGVLJQBR-QTBRASQNSA-N 869.122 6.383 50 1 KKGF CC1(C)C(=O)/C=C\C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)[C@@H](Br)[C@@H](Br)C(=O)C(C)(C)c2ccc1o2 5813234 WBIQJYVZFHNLRN-KVOZQXGASA-N 624.366 6.056 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@H]1CCSS1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C(=O)NC(C)(C)C 28529233 NZWGLNHCOXHUDM-ZRBLBEILSA-N 628.699 5.205 50 1 KKGF COc1ccc(-c2cc(C(=O)N/N=C(\C)c3cc(Cl)ccc3O)n(Cc3ccc(C(C)(C)C)cc3)n2)cc1 40915295 IZVMIYWBCMTQLV-BIZUNTBRSA-N 531.056 6.418 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3c([N+](=O)[O-])cccc43)[nH]c2c(OC)c1OC 49792718 WXZOMBNPDJUSJP-CYBMUJFWSA-N 540.916 5.146 50 1 KKGF CNC[C@H]1C[C@@]2(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSSC[C@H](C4)C[C@H]3[C@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 85543442 RVXSNDIXXZOGLL-PWRQMRSWSA-N 713.154 10.600 50 1 KKGF biogenic,in-vitro COC1=C[C@H]2C(CC(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)=C(C)N(C(=O)c3ccc(Cl)cc3)[C@H]2C=C1 96914017 BIWCDGGVOXODAP-GOQTXQTGSA-N 618.557 7.769 50 1 KKGF COc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)cc1 103185679 NYWDKZXYLQRHES-RPWUZVMVSA-N 582.838 5.654 50 1 KKGF C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)c2)cc1)[C@@H]1COC2(CCCCC2)OO1 150557313 PRFCTVHQZMWKLO-HTZDTEJJSA-N 901.062 13.125 50 1 KKGF COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@@](C)(O)[C@@H](Cl)CC[C@@]3(C)O[C@@H]3CC/C(C)=C\[C@H]12 169360831 JLHAOQMKTFIUTM-DOAMFMNOSA-N 719.400 7.492 50 1 KKGF C=CCO/N=C(/C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169615524 WGDOECSYODBCCA-PUUWCQIZSA-N 631.807 6.436 50 1 KKGF CC(C)(/C=C/C[C@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@]2(C)CC[C@H]1Br)OO 205748978 PHHNLIYTQGXJRF-QUIUFYHMSA-N 537.491 6.004 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3c(F)cccc3F)cc2F)c2c(N)ncnc21 211018720 WBPYSPBQYMHIEC-ZKTNYTPDSA-N 559.552 5.136 50 1 KKGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 253633544 IGVIVGSXJUDQEG-SKNVEAJWSA-N 521.050 5.068 50 1 KKGF CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 587321803 KSCLFMREOBVOKD-RRFXTLBOSA-N 534.422 5.671 50 1 KKGF O=C(Nc1ccccc1)[C@H](Cl)[C@@]1(c2ccc([N+](=O)[O-])cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323490 KONWRNMMIAOQJX-RWPDHJIBSA-N 546.938 5.940 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2C(C(Br)Br)(C(Br)Br)N1 587669273 CLZDWLRGDBUSMD-YFKPBYRVSA-N 587.745 5.550 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 587682564 CTXYFDNQYSDFKR-ZJWNCGCPSA-N 513.794 5.136 50 1 KKGF CCCC[C@@H](CC)COc1cc(CBr)c(OC)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587875664 ZASMODAZLUZINZ-HXUWFJFHSA-N 583.394 7.397 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@H](c2ccc(C(=O)Cl)cc2)N1 963175942 SKSCBZOGRPRVGG-ACHIHNKUSA-N 588.107 6.435 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1ccc(C(F)(F)F)c(I)c1 963199998 ZQULCLICSAUHIC-RPWUZVMVSA-N 611.243 7.071 50 1 KKGF COOCNc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772571573 WIDUWVDHOUPQPC-QHCPKHFHSA-N 543.464 5.610 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc2ccsc12 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CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](C2(N3C=CNC3)CCCCC2)SSC1 2356837625 LLLKZBXJCHXJBV-TULAIVBGSA-N 662.922 7.495 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@H](OCCO)[C@@H](CCC1)CC2 2356865814 VLHVCCQRDFMSDE-QXIXQREOSA-N 820.131 5.789 50 1 KKGF CC[C@@H]1CC[C@]2(C3=CCN=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@@H]2C1 2356867899 WXGURZZHGAKCDU-UDPMEZPFSA-N 531.740 5.984 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@H]3C[C@@H]2O1 263591626 LYTCVQQGCSNFJU-FHDMRULHSA-N 895.096 5.472 50 3 KKGF COc1ccccc1CNCCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCCNCc1ccccc1OC 29549496 YFTXPIYVMZCCNP-UHFFFAOYSA-N 759.268 10.946 50 1 KKGF C[C@H](NC(=O)c1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938293 LERQMDBSXNYVEM-OLIKKACWSA-N 705.145 7.391 50 1 KKGF O=C(c1ccccc1SSc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 95539860 SYMZMTAEKGNNON-UHFFFAOYSA-N 775.056 9.581 50 1 KKGF CO[C@H]1O[C@@]2(C)CC[C@H]3CCC[C@@H](CCOP(=O)(Oc4ccccc4)Oc4ccccc4)[C@]13OO2 102234044 ZXZAJJJYOSBQGV-WYMBGIKYSA-N 504.516 6.275 50 1 KKGF Cc1cc(C2=CC[C@@H](OC(F)(F)[C@H](F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103201949 LXCQBIARLMLKIK-ASSNKEHSSA-N 564.830 7.547 50 1 KKGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 150612680 BXPUGHBOILFUQH-AEXCRBKWSA-N 696.605 6.871 50 1 KKGF C[C@H]1CC[C@H]2[C@H](CSCCCSC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169324827 WQOWZDQPDRPHPB-KOUUTULTSA-N 668.871 5.620 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 169361842 BQZGIZZCEBSBQH-ZIHPOEQYSA-N 870.484 5.539 50 1 KKGF CC[Si](CC)(CC)O[C@H]1CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]2[C@]12CO2)C3(C)C 195352468 FQUUEVQWEWPIDX-WDQLWULVSA-N 606.829 5.303 50 1 KKGF CC(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cc(F)ccc3F)cc2)c2c(N)ncnc21 211008872 GZOPCCOHXKUGIP-PRWBYUBPSA-N 543.578 5.243 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 253685762 HVQCHMISIPQSDU-FCQBREAJSA-N 557.873 6.064 50 1 KKGF CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255225582 LCMFMYLKULZBHF-DZJJNXJBSA-N 865.591 13.286 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299886826 XVMMCUIYMJRLTO-VVKGOQPKSA-N 745.058 9.138 50 1 KKGF COCCNc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587262602 YUNPZFLEBFRRHU-UHFFFAOYSA-N 517.274 6.616 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 587320490 AOECVCVBWPPSEY-XTEPFMGCSA-N 554.843 7.195 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)CC(=O)c2cc(C)cc(N)c2O1 587374112 GLIUNFMQXCFNFJ-ZSNIWYTRSA-N 602.555 5.462 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2cccs2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 587375519 MRNGDWAHCXPONR-XLIONFOSSA-N 512.194 5.963 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CC[C@@H](C)C4)[C@@H](C2)C3=O 587452530 NVVIYNGURNHATN-DKUZKCHPSA-N 564.147 7.048 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587687728 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CC1(C)CC[C@]2(C(=O)n3cccn3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145589 YYXHRJLIOGMXCT-FMIDTUQUSA-N 541.736 6.743 50 1 KKGF O=[N+]([O-])c1ccc(SCCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)cc1 43362177 PVIKMPNQIMEGON-UHFFFAOYSA-N 527.238 5.371 50 1 KKGF COc1ccc(Nc2c3ccccc3nc3c(OCCCCN(CCCl)CCCl)cccc23)cc1N 43531609 KYKAHNAMPYLKGR-UHFFFAOYSA-N 527.496 6.661 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl 82181784 DNHUTNVBMVSVOB-DHIUTWEWSA-N 705.639 7.310 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169354545 YCOIJPSIDUQDNN-MTFXKWINSA-N 812.448 5.694 50 1 KKGF NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4ccc(S(N)(=O)=O)cc4)cc3)cc2)cc1 169373353 RXRKSDZVYGJNSN-UHFFFAOYSA-N 925.108 5.887 50 1 KKGF CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 253861552 CLNSNWKRDSPCEI-YZVOEDEMSA-N 980.040 6.533 50 1 KKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(/C)C=O 255209677 FPLASDSFNINBIY-SAHBTPQSSA-N 548.855 11.893 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccc(Br)o2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 299810367 UXDUVXYQKPADPT-BUUDLJBFSA-N 642.370 6.203 50 1 KKGF COc1ccc2cc(-c3cnnn3[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3CO[Si](C(C)C)(C(C)C)C(C)C)ccc2c1 473136486 RXDCFOIJLSGCNF-GNSPLJBXSA-N 605.812 6.399 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(F)(F)(F)(F)F)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O 586906237 CYYLKJHVIBJAEW-PJLWJDDNSA-N 662.718 6.618 50 1 KKGF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H](C)O)cc1 586938222 OXWNDAHSMLSDQR-BJOHPYRUSA-N 566.368 5.392 50 1 KKGF CC(C)(C)OC(=O)N[C@H](Cc1ccc(Br)cc1)Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586997983 XHKGDNQEELGXHE-CQSZACIVSA-N 635.291 8.424 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)nc2c1 587074830 DBZSQHSMNUPECI-RVDMUPIBSA-N 612.849 10.338 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322171 LMZSWPMBZFPSOV-GCBWADARSA-N 597.565 7.406 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)([C@H](Br)[C@H](Br)c1ccc(F)cc1)[C@@H](C2)C3=O 587428723 OSEAHGMDSGXWAH-MCWSDJLFSA-N 564.220 6.516 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 587686441 VHVAOEFRPVKNTB-SHACYNPGSA-N 522.245 6.245 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587722080 YEONFIIEWBCBKD-OIRASMEMSA-N 562.257 7.267 50 1 KKGF Cc1ccc(-c2noc(C)c2[C@@]2(CBr)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962566218 DWZZHORKSNMCLL-GERKYKROSA-N 664.556 7.252 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@H]([C@H]1CCN(C(=O)OC(C)(C)C)[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C1)N2C(=O)OC(C)(C)C 962711967 RAQDMASGIHVKBM-WVWCVQRSSA-N 787.058 8.110 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)c1ccccc1C[C@@H](C(=O)O)N5C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962931364 BEYBDEHFEFUXPC-TYKJRCCNSA-N 852.780 7.042 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(F)c(CBr)c(I)c2)N1 963180368 PWVYEOWAHWBTJJ-BBRMVZONSA-N 592.552 5.686 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963194255 XWUHJNLYERELSS-NHZFLZHXSA-N 693.616 6.209 50 1 KKGF COc1cc(/C=C(\C#N)[C@]2(C(C)(C)C)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c([N+](=O)[O-])cc1OC 963196503 XAKBTPYBVNOVNU-GPIOCKLASA-N 536.632 6.584 50 1 KKGF Cc1ccc(OC[C@@H]2CN(C(=S)SSC(=S)N3CCCO[C@@H](COc4ccc(C)cc4)C3)CCCO2)cc1 1772656683 PSMXFZDSXZLTJD-WMPKNSHKSA-N 592.874 5.894 50 1 KKGF CCSC(Cl)=C(NC(=O)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857618053 QKSDFMWKYJGUNM-UHFFFAOYSA-O 503.027 6.529 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(/C=C\CO[P@@](=O)(OC/C=C/[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)Oc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857650649 PWXZDCAVIYYGPI-QBGTVMBJSA-N 758.842 8.328 50 1 KKGF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](n3cc(CO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)nn3)C[C@@H]12 1857773576 MZEQKIKEPRVCDK-HUCYOWFBSA-N 647.813 6.288 50 1 KKGF CC[C@H](Cl)CC=C[C@H](O)[C@@H]1O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@H](OC)c2nc(C(C)=O)cs2)[C@H]1C 2356323240 AUXCARRWWRCVMM-FYXWPGMSSA-N 619.435 5.715 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c2c(c(O)c(CNCCCO)c1CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@@H]1C=C2 2356327912 LFWGYIQEJPMDFM-NBUXZWMMSA-N 987.254 7.584 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5Cc6c(c(OC)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O 2356360599 JNYWHADAMPJTLY-VJBKQNAGSA-N 636.832 7.527 50 1 KKGF C[C@H]1CSSC[C@@H]2C[C@H]3[C@H](CC4(CCCC4)C[C@@]34C=CC[C@@H](C)C4)[C@@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)C2 2356373841 IZXMNCMTZQGOLO-LZWBYUDNSA-N 615.993 9.984 50 1 KKGF COCCC[C@@H]1CCC2(CCCC2)C[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC4 2356475802 QCXYAINKZKXOLG-NFUKZWKYSA-N 957.313 7.441 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@]54C)[C@@]21O 2356554957 CWXNADRPYONZMS-LSDZBBLRSA-N 869.291 9.677 50 1 KKGF CC(C)(C=CC[C@@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@@]2(C)CC[C@H]1Br)OO 2356565108 PHHNLIYTQGXJRF-OGZANOHWSA-N 537.491 6.004 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@]14C=C[C@H]5c6c(ccc(c61)[C@H](N)NC4)[C@H](O)C#C[C@@H]([C@@H](O3)n1cc3[nH]cc5c3c1)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@H]1O 2356582833 YKQLYNPTLYSHIR-QZOVZNPCSA-N 955.256 8.860 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356703465 DPWKQRXQDOHLOW-ZYNFHQNVSA-N 899.178 7.793 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356806867 AIGXWSFXZCOXQJ-AARCELDWSA-N 957.361 8.918 50 1 KKGF Cc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)cc1 27632987 SKFADOIPYSPOBI-QHCPKHFHSA-N 583.866 5.508 50 1 KKGF O=C(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)N/N=C/c1cccc(OCc2csc(-c3ccc(Br)cc3)n2)c1 72122106 GIJRTEBVHAEQQU-IZYHBKOJSA-N 666.553 7.454 50 1 KKGF COc1cccc(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)c1 96283537 IUHAEFPABBOBKT-HPNXWYHWSA-N 601.679 6.594 50 1 KKGF O=C(C[C@H]1CSC(N2N=C(c3ccccc3)C[C@H]2c2c(F)cccc2F)=N1)N/N=C/c1c(F)cccc1F 98082044 HJHBUNDZDUJRDR-NTZAJABGSA-N 539.558 5.406 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccccc2OC)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293425 ASUIAOXTTMVMMG-UHFFFAOYSA-N 506.668 6.815 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@]14[C@H]5C[C@H](C[C@H]1C3=O)C(=O)[C@@]4(C/C=C(\C)C=O)OC5(C)C)C=CC(C)(C)O2 136083673 ORNMPVMTDJIPQS-NMNSXXCHSA-N 546.660 5.707 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@@H](C)C/C=C\5OC6=O)[C@@H]32)CCCC1 150344188 CDIVCRXMRMAMGC-BFZQOGOZSA-N 703.971 7.592 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)C/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2 150348605 JZOLJCGNCRDGQY-VRCRYKCFSA-N 941.358 10.494 50 1 KKGF biogenic,in-vitro C/C1=C(\CCOC(=O)[C@@H](N)C(C)C)SS/C(CCOC(=O)[C@@H](N)C(C)C)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O 169290819 PUEGQPIRIJKOTE-BKIBJZDJSA-N 685.010 6.495 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169354474 YCOIJPSIDUQDNN-ZQWXAUNZSA-N 812.448 5.694 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 169361606 YCOIJPSIDUQDNN-FIRARTFRSA-N 812.448 5.694 50 1 KKGF C[C@]12CO[C@@]3(P(=O)(c4ccccc4)c4ccccc4)C[C@@H]1CC[C@@]23CP(=O)(c1ccccc1)c1ccccc1 169715559 UIBHSDQMFKDEOB-OCMXBQLYSA-N 552.591 6.548 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@@H]2O)C(C)(C)CCC1 195300284 VELGIFPPAIOHCC-NBXBKJQQSA-N 792.183 9.511 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 587538292 OVUBNDCWXKRQRZ-RPLLCQBOSA-N 556.239 7.499 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 587672613 GPVKVVWUXBLPJJ-MQNRADLISA-N 523.328 7.110 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 587723417 WRVUMZPEVNCECK-XYZCENFISA-N 515.114 5.799 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)C(=O)[C@]21c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963037232 KKRBQZNYDNEHMP-VDPWFJKFSA-N 650.516 6.821 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CCCCl)c1ccc(Cl)c(Cl)c1 963903670 DEKNPHIATZCERO-NIYFSFCBSA-N 526.888 7.201 50 1 KKGF CC(=O)N[C@H](C)c1ccc([C@@]2(CCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963929386 VHKZFJLRCLKFDP-UULLZXFKSA-N 553.494 5.508 50 1 KKGF CC(C)(O)C=CC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 2356328899 LNPHICKKKGHENP-BHJAJIICSA-N 587.636 5.989 50 1 KKGF CCCCCCCCCCCCCCCCOO[C@@H]1C(C)=C[C@@]23C[C@H](C)C[C@@H]4[C@H]([C@@H](C=C(CO)[C@@H](O)[C@@]12O)C3=O)C4(C)C 2356353559 QOKNELXJVFYQBT-IBMLKGRKSA-N 602.897 7.643 50 1 KKGF C[C@H]1CSS[C@H]2C=C[C@@]34C[C@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)[C@H]3CC1(CCCC1)C[C@@]41C=CC[C@@H](C)C1 2356356985 PJYPVJDDTCAMNC-OBRHBIGBSA-N 640.015 10.293 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356365374 LFJKTDQYIGCMFY-GNGXLUNESA-N 666.006 8.307 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356366083 ZGLHXDSQOOGGIK-CNNXJJRASA-N 722.118 8.251 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356371927 UHOJZYSLSNJZPY-PINRNXOBSA-N 681.873 7.163 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC2CCCCC2)C[C@H](C(C)(C)O)O3)O1 2356487233 SZFINAONAOTLBP-ZOYWYXQUSA-N 639.745 6.653 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)cc(OC)c1O 2356516405 WTTMGKRANVEFIH-KCPNVJOLSA-N 696.884 6.638 50 1 KKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3[C@@](C)(COC(C)=O)[C@@H](OC(C)=O)CC[C@@]34C)[C@H]12 2356587107 YRXMJZHBWIPRHC-SNJUXYIOSA-N 540.785 7.318 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C[C@H](CO)CCCO)c(=O)oc5cc1O2)[C@H]43 2356698184 LPMZRDUHYGUTOV-RHZSDYPTSA-N 831.070 5.095 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1[C@@H]2C(=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]23C)[C@]2(O)[C@H]3CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]4CCC[C@H]1[C@@]2(CO)[C@H]4C3 2356710443 DRJLYXLYPGPZMT-LNHGHUFVSA-N 924.328 6.525 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356734387 KXANWWIOPIKGQM-BKJWWSQHSA-N 743.042 5.581 50 1 KKGF C[C@H]1CSS[C@@H]2C=C[C@@]34C[C@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)[C@H]3C[C@@]1(CC[C@]2(CCC3(CCCC3)C2)C1)C[C@@]41C=CC[C@@H](C)C1 2356734997 OVGTVCQCGNQTPW-NNSNHAOXSA-N 748.199 12.633 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356776915 KGCLYVWUGJQKCO-LJWMJXRYSA-N 755.060 7.097 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@]2(n3ccnc3)CCC3(CCCC3)C2)SSC1 2356811585 BPODPCJYUWYCOD-URQBOJBKSA-N 676.949 7.089 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNC1=CC(=CCN1)C1(CCCC1)C[C@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356811709 BQEHTGMZURRFMY-YCEURHPWSA-N 917.156 5.442 50 1 KKGF O=C[C@]12OCSSC[C@H](c3cc[nH]c3)[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)c(-c4ccc(O)cc4)coc3c1)O[C@@H](C(=O)O)[C@H]2O 2356828530 IHUWGYMZEOWRBA-HUJXOWCASA-N 893.049 6.520 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356843557 NNCIVVPOVFNIGV-XKJXQCKXSA-N 959.377 9.325 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](C3=CCN=C3)[C@H](C[C@@H]3C=CC=C[C@@H]3C)[C@H](OC(C)=O)CC(=O)C2)cc(O)c1O 2356851415 QHIORLJJHDEXRT-SHKHYXAKSA-N 571.761 5.878 50 1 KKGF CCCC(=O)N[C@@H](CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@H](CCc1ccccc1)NC(=O)CCC 36176484 DGAACZPYHKOXDE-NSOVKSMOSA-N 564.767 5.944 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@H]6COC[C@@](CCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O 85510938 QXZHAOLQVVEYKP-OFDVPRGRSA-N 847.058 5.938 50 1 KKGF biogenic,in-vitro CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H](C1([n+]3cc[nH]c3)CCCC1)c1cc2cnc1N 85596440 LPALTXIFEWVYAK-UIPCDFFRSA-O 645.871 6.817 50 1 KKGF biogenic,in-vitro CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCc4cn(CCC[P@](=O)(F)OC)nn4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 95539258 QNPXCGVLMMGITL-VCZQVZGSSA-O 777.858 5.379 50 1 KKGF Fc1ccc(C(O[C@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 100900593 NDQHYTPBWHOLRM-RLPLKTQASA-N 518.673 7.823 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cccc(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103104371 ULQRUHWJSOSQEJ-QUNBPGEXSA-N 616.721 6.752 50 1 KKGF COc1ccc(/C=C/C(=O)N(/N=N/c2ccc(Cl)cc2C(F)(F)F)c2ccc(Cl)cc2C(F)(F)F)c(OC)c1 169312074 ZPKFKKWFKYTQIB-VZKVSVTQSA-N 592.323 8.794 50 1 KKGF Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 169373027 JJQCYQOHEUISNH-FPWWURJNSA-N 729.617 5.907 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](CSCCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169373031 KMZJLUPIQIDZHL-NDPCSTNKSA-N 682.898 6.010 50 1 KKGF C=CCO/N=C(/C[C@@H]1O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]42OO3 169615356 WGDOECSYODBCCA-VXJDLYCJSA-N 631.807 6.436 50 1 KKGF C=CCO/N=C(/C[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616856 WGDOECSYODBCCA-CKQJSXGQSA-N 631.807 6.436 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]2(C)[C@]1(OC(=O)c1cccs1)C(=O)CO 253633970 PIWPKWRRHRILPF-CCVUQYLESA-N 537.505 5.338 50 1 KKGF O=C(N/N=C/c1ccc(O)c(Br)c1)Nc1ccc(-c2nc(NCCCN3CCOCC3)c3sccc3n2)cc1 299838839 WDUGPQQKKGINDT-OCSSWDANSA-N 610.538 5.116 50 1 KKGF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586919639 CWSQJFULDGAOHR-UHFFFAOYSA-N 522.271 5.865 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058519 ZPSQCTYAQHDHFW-VGOFMYFVSA-N 504.190 7.243 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587323549 RSIPYUJCLTWGBW-IXCJQBJRSA-N 509.415 7.228 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 587327568 QAKXKQVLWQIUTN-FIBWVYCGSA-N 533.983 6.219 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(CCCl)c2c1 587618846 WYZAFLAFBCRAOG-UHFFFAOYSA-N 564.845 6.096 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(CBr)cc2)N1 587674129 TUEWYUFIDOPYNQ-ADLMAVQZSA-N 506.051 5.656 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 962695912 COEYAXIZNKQVIZ-URXFXBBRSA-N 546.895 5.935 50 1 KKGF Cc1sc2c(c1C)CCN[C@]21C=C2[C@@](C)(CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)[C@]2(C)CC[C@@]3(C(=O)O)CCC(C)(C)C[C@@H]3[C@@H]12 963019671 IADZKSJISUQAPI-NDVRMCJQSA-N 628.923 8.441 50 1 KKGF Cc1onc(-c2ccc(F)cc2)c1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963028649 XTVUOTJQAOPNHJ-HLADLETHSA-N 622.878 6.714 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)C(=O)[C@@]21c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963037225 KKRBQZNYDNEHMP-QVMNQPGKSA-N 650.516 6.821 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CBr)(c2ccnc(C(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963043848 VGONZJMJKKTWCT-JOMNFKBKSA-N 673.432 7.278 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@@]1(CCl)c2cccc(Br)c2CCN1C 963281655 UKHRMWJURJQNAO-PRIADVHRSA-N 717.528 7.446 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C)n1-c1ccccc1 963583996 RXVXWUKQHITVJT-HUBRWUETSA-N 631.098 7.636 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccccc1OC)([C@@H](Br)C(=O)c1ccccc1OC)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963731322 OUQGZDPBAQWWLA-JSXFGMRASA-N 697.582 6.360 50 1 KKGF 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CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587544801 OXUDLCAJOJLYSS-WIRXVTQYSA-N 526.416 5.913 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587618400 OLQYOYCRRCQXMW-QCXFPGTISA-N 616.179 7.959 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587688308 KYZHLFVRDFTVQI-ZCDIYMNCSA-N 562.266 6.178 50 1 KKGF O=C(c1ccccc1)N1CCCc2cc([C@@]3(CCl)c4ccccc4C[C@@]4(C5CCC5)C(=O)NC(=O)N34)ccc21 962656435 AWTUJASQXVRAQR-ZWXJPIIXSA-N 540.063 5.409 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(C)[C@@H](Cl)c3ccc(F)cc3)c(O)c2C(=O)O1 962962865 CZLCDSKAQVHYQU-FMAKVNEUSA-N 572.416 5.633 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 963169217 FDISJILPSDRRRV-VZZHGAMSSA-N 772.143 8.246 50 1 KKGF C[C@@]1(c2ccc(CCBr)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963417035 POUHMMZAMGGNTE-RBJSKKJNSA-N 517.423 5.521 50 1 KKGF COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)c2c1 1857597754 QQLDXQWKOXEOLI-PJHIJEFCSA-N 661.884 6.400 50 1 KKGF COc1ccc([C@@H]2CC(c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)=NN2C(C)=O)cc1 1857767972 YHJADTWSDOURQS-IDPNKYLYSA-N 576.690 5.980 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@H](CC)C1)C3 2356363548 MWDKXEUZJMZTKP-RKEVMNEWSA-N 770.920 5.949 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@@](C)(O)C2CCNCC2)O3)O1 2356369398 WONCZZRXAVMZRG-YNTANDQNSA-N 738.878 6.125 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)c6cc[nH]c(=N)c6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@@H](OCCO)CCCC1 2356395140 MPEHMOXGUKZGAH-OSQRGJETSA-N 818.115 6.491 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSCC2(CCCC[C@H](O)C1)CCCC2 2356487891 PUSINBLSNZZADU-KJCQFTGBSA-N 993.434 11.965 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356714857 LQCLWOLRPPMCQL-WRPSPMIBSA-N 813.133 6.480 50 1 KKGF CCCc1cc(OC)cc(O)c1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)C=C[C@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356726018 VHFKNSGHCDZIJC-CKQLITTHSA-N 620.871 9.005 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)C[C@@H](Cc3cccc(O)c3)CC3(CCCC3)C1)CC[C@H](O)CC(=O)CC2 2356770061 WBLWOSLSSMWSRB-XMDUGHKSSA-N 991.330 7.962 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@@]1(n3ccnc3)CCC3(CCCC3)C1)C1=CC2=CN[C@H]1N 2356819101 DZBQVVXUYQTUQX-ICVXGXTHSA-N 700.971 7.569 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356827772 IPHYYBAICKGLSP-LJYOOBNRSA-N 924.151 7.654 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](C1(n3ccnc3)CCCCC1)C1=CC2=CN[C@@H]1N 2356867847 WWTAHCFPXHQMID-UWMZCTSFSA-N 660.906 6.789 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 26404458 ZCLOWBXNKUYDPI-NDPYXOJKSA-N 623.834 7.351 50 1 KKGF C1=C[C@H](CNCCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCCNC[C@H]2C=CC=N2)N=C1 29551231 MHWIJJORNBOFAH-XPSQVAKYSA-N 677.170 8.547 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653691 DLYNQDQUVHMCIM-GBXCKJPGSA-N 501.329 5.100 50 1 KKGF CC(=O)O[C@H]1[C@H](C)O[C@@H](Oc2cc3c(c4ccccc24)[C@H]([C@@H](C)Cl)CN3C(=O)c2cc3cc(OCCN(C)C)ccc3[nH]2)[C@H](OC(C)=O)[C@@H]1OC(C)=O 95543400 IWAAGHDQOGGXOS-SKKIGEHYSA-N 750.245 5.552 50 1 KKGF O=C1C(O)=C(c2ccc(OCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(=O)c2ccccc21 95561474 PICRQMUIVAPMDM-UHFFFAOYSA-O 569.617 6.798 50 1 KKGF COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCc2ccc(CBr)cc2)OCO4)cc(OC)c1OC 95577723 RKTJHXAVLGYOBF-VSGBNLITSA-N 595.442 5.423 50 1 KKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1ccc(N(c2ccccc2)c2ccccc2)cc1 95808255 BNPZCXCZXNRXBW-YQCHCMBFSA-N 534.660 7.291 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccc(N=C=S)cc4)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100725145 OXVIDGHUFWUYCY-LEGYJCIVSA-N 561.707 5.829 50 1 KKGF Cc1cc(C2=CC[C@@H](OC(F)(F)[C@@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103203322 YZLFXWZFWSWTFM-LRTDBIEQSA-N 520.379 7.391 50 1 KKGF CCN(CC)c1ccc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 150586849 FUMKSAWDQMOONL-KLESUSOLSA-N 817.999 10.037 50 1 KKGF CC(C)(C)[Si](Oc1ccc([C@H](NC(=O)c2ccccc2)C(=O)O)cc1I)(c1ccccc1)c1ccccc1 195224549 VYFPKISJECYQJA-NDEPHWFRSA-N 635.574 5.786 50 1 KKGF Cc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Cl 587191272 SBDAFHAJQPRICG-PBNKNIQMSA-N 610.239 7.557 50 1 KKGF CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 587202910 CEHOODWNAHMLGA-BLEBADBPSA-N 736.558 7.005 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(F)cc1 587331512 HNQAKZIKJHSVEH-JDXGNMNLSA-N 521.991 6.825 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587336624 UJMAJGOOPDRHLO-RQBCYIDASA-N 707.210 7.775 50 1 KKGF N#C[C@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371363 CEHORWOFERZUGL-GNMGOMLTSA-N 504.970 6.299 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)CC2=O 587456901 SOWAHCZVUWYRRT-MHZLTWQESA-N 503.477 6.901 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(F)c(Cl)c1 587713386 CBXXMXWAYVYIMN-SFDCACGMSA-N 514.241 6.805 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Br)c2F)N1 587724052 DMVFFICLOHNXGY-HUTHGQBESA-N 510.014 5.663 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 587728968 BMRIZMGBTLSBLA-LJGXGHBHSA-N 520.849 6.116 50 1 KKGF C[C@H](Cl)CCCn1cc([C@@]2(C3C(C)(C)C3(C)C)NCCc3cc(-c4ccccc4)ccc32)c2ccccc21 962666833 SLYAHIDYAPELNY-AOXBRHMESA-N 525.180 8.787 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C)cc1)([C@@H](Br)C(=O)c1ccc(C)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962706967 MVPVYQIRPKJYRS-TWJUONSBSA-N 666.534 7.928 50 1 KKGF C=CCS/C(NC)=C(/C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973464 WGONPJVBJFXXOT-UVXUNOGUSA-N 644.147 6.286 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)c3scnc3C[C@@H](C(=O)O)N5C(=O)OC(C)(C)C)[C@@H]2C1 963151579 XBXSLBGYMGZCKZ-BJVBZZIYSA-N 647.209 6.121 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2c(C(F)(F)F)ccc(Br)c2F)N1 963176001 HJGTUGYGOBRKNB-CXAGYDPISA-N 613.549 6.517 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1Cc1ccc2c(c1)OCO2 963176445 IEEXRNHEDYBAMU-CLOONOSVSA-N 555.380 5.635 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1coc3ccccc13)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795556 IYFYWOLVCSMNEK-PMERELPUSA-N 573.443 5.837 50 1 KKGF Cc1cccc2c1[C@@]1(C=C(CO)OC3=C1OC(N)=C(C#N)[C@@H]3c1ccccc1C(F)(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863044 MQZYHUQXCVZXRW-QAPKDYEQSA-N 639.627 5.472 50 1 KKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(OC)c(OC)c2)C1=O 1857769027 VGCSOLZXSNVKEV-QHCPKHFHSA-N 508.615 5.650 50 1 KKGF CC(C)(O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]23C)O1 1911573625 YNRAMTIJUFMVAT-ZEKTZPPZSA-N 591.006 8.741 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@@H]2CSSC[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356371928 UHOJZYSLSNJZPY-PYJVZPKDSA-N 681.873 7.163 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H]3CC[C@@H]4O[C@H]([C@]5(C)CC[C@@H](Br)C(C)(C)O5)CC[C@@]4(C)O3)O2)O1 2356641174 HDXGHOIIDFPNSF-OVHFFVAXSA-N 587.636 6.229 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@@H](O)C5 2356777190 OYMCAXQHSPBXMK-IBWLOEJOSA-N 854.185 6.217 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356833386 CAVLCPAIPVFYBR-HDBCQCSRSA-N 802.052 5.568 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356857017 SFQRQLHGRMRFJF-GVKZYBSLSA-N 675.873 5.403 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@H]([C@@H](C)Cc4ccccc4)CCCC[C@H]3O)C=C12 2356861994 UVVBSFOHJYQLDR-GFXWGZLKSA-N 894.257 7.804 50 1 KKGF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=NOc5ccc([N+](=O)[O-])cc5)[C@@H](Cl)C[C@]4(C)[C@H]3CC[C@]12C 2356864161 NNFGKFKPLQYECP-NJZYHZILSA-N 503.039 6.521 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@H]7[C@@H](C)C[C@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 253977509 MGVIMUPHKPHTKF-RFTCQCMDSA-N 867.086 5.951 50 3 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(C3(C)CCOCC3)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 36311275 XSLKCJFAEISGNN-UHFFFAOYSA-N 611.718 5.645 50 1 KKGF C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 49889462 PVRASDIDTPIMMD-SDEMIASISA-N 608.728 6.547 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)Oc3ccccc3)[C@H]12 73196201 KOWXKUDNHFDQSD-FCDRVQAMSA-N 558.759 7.644 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cccc(CN4CCN(c5ccc(Cl)cc5)CC4)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105359 CHLJJDAZBOSIQE-QUNBPGEXSA-N 583.169 6.387 50 1 KKGF CNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@H]1C)OO2 139120359 AADWWXGOTIQUPE-WRGQEQGZSA-N 647.850 6.404 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCC1(O)CCCCC1)CC(=O)CC2 150347708 VMLRIUPBSSBSJC-LVVSVFSYSA-N 987.335 10.125 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCC#Cc3ccc(C#CCCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)s3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309787 RUIZZHDETIGHKC-MDMAFYNFSA-N 752.967 7.681 50 1 KKGF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)[C@H]2c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1 169721430 RVZXDTKQBCOHBU-CKNGGUGBSA-N 646.609 5.142 50 1 KKGF COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccccc4[N+](=O)[O-])C[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c(Cl)c2c1 170114649 BVQARVWGGBGRSW-NBGIEHNGSA-N 630.243 7.392 50 1 KKGF CCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 253680240 BVDCSUCKQJSEMS-IFDFCLTHSA-N 618.764 6.104 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Br)C(C)(C)OC)[nH]c3cc21 586970588 CSOOYSFRTSYALG-PMERELPUSA-N 647.614 7.684 50 1 KKGF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)nc2n1 587114529 DJYNTDFVCYKOPC-UHFFFAOYSA-N 517.471 7.686 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)nc(C#N)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189938 GOSDEFPDJVNPOU-ZHRULWDUSA-N 622.210 6.515 50 1 KKGF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]2CCCO[C@H]2C1(C)C 587239392 JZWBVTDFBKTLKJ-LSWYUMSHSA-N 576.426 7.538 50 1 KKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)(F)F)cc1 587503664 IJTZHZQXECFGRU-SANMLTNESA-N 503.948 6.971 50 1 KKGF COc1ccc(Cl)cc1C#Cc1c2oc3c(Br)c(O)c(Br)cc3c(-c3ccc(N=C=S)cc3C(=O)O)c-2cc(Br)c1=O 587919222 VMOIHVSDGCZZGI-UHFFFAOYSA-N 790.667 9.052 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)c1c(Br)ccc(Cl)c1F 963135619 FBGSAEZECVUCFU-HXPMCKFVSA-N 584.689 5.583 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)c1ccccc1OC[C@@H]2Br 963157396 LHEMAXAZHXLONC-KIFRIVICSA-N 646.585 6.366 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(c2ccc(C(C)C)cc2)N1C(C)=O 963317418 PXYYKPIXOWFXSS-KIVZLOICSA-N 750.270 6.096 50 1 KKGF C[C@@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857563061 RUWGTEBIZMIYML-MRXNPFEDSA-N 526.427 6.753 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 2356350790 JSSZVIFQCKYAGS-PTKISWTBSA-N 953.322 8.669 50 1 KKGF C[C@@H]1CC=C[C@]2(CCC[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@]5(C)CC[C@@H](SSC5)[C@@H](C4)C[C@H]32)C1 2356357113 OWJFWYLNLZLJIG-NOISEPRJSA-N 587.939 9.346 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356358749 WDVBKYSAIBJKTM-MQUJPVKBSA-N 960.317 5.742 50 1 KKGF COc1cc2c(cc1OC(=O)OC(C)(C)C)CCN[C@@]21CS[C@H]2c3c(OC(=O)CCCl)c(C)c4c(c3[C@@H](COC1=O)N1[C@H]2[C@@H]2c3c(cc(C)c(OC)c3O)C[C@H]([C@H]1C#N)N2C)OCO4 2356590347 LDSCRYJYWATDQQ-MVVNVRGNSA-N 919.450 6.204 50 1 KKGF C[Si](C)(C)O[C@@H]1O[C@H](CC(=O)OCc2cn([Si](C)(C)C)c3ccccc23)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 2356683784 DIMILTCIDYCFLW-MSRGAWBBSA-N 698.243 7.994 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356857860 SNGYTSFSRIWPDR-SHWULQAXSA-N 881.038 6.854 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CC4(CCCC4)C[C@H]1C=Cc1cncn13)C1=CC2=CN[C@@H]1N 2356865280 WKJJXIWVVXJKTQ-STNOFVIISA-N 724.993 7.822 50 1 KKGF C[C@@H](C(=O)Nc1ccc2ccccc2c1)[C@H]1C[C@]1(C)[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8019271 GIHSTQCPKKOBBE-LGKUWMFZSA-N 558.662 7.701 50 1 KKGF aggregator O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccccc2)S3)s1 28823789 KHBUBILTILJRKY-KSEXSDGBSA-N 640.980 8.696 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(c3ccccc3)(C(F)(F)F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43888113 AVZUEUNLKJMZMA-OICPTDMBSA-N 510.471 6.231 50 1 KKGF Cc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2cccc(C)c2nc2c(C(=O)NCCN(C)C)cccc12 49841103 OZPXUVAZGOYWEZ-UHFFFAOYSA-N 686.688 7.968 50 1 KKGF O=C(CCNCCSSCCNCCC(=O)c1cc2ccccc2s1)c1cc2ccccc2s1 66258425 QEKIHQATVRXOGZ-UHFFFAOYSA-N 528.790 6.522 50 1 KKGF COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1cc2ccccc2s1)C(=O)OC)NCCC(=O)c1cc2ccccc2s1 72113952 SBPJLWYRYACUBK-DNQXCXABSA-N 672.916 6.386 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cc(Cl)ccc1Cl)SS/C(=N/c1cc(Cl)ccc1Cl)OCCN1C(=O)c2ccccc2C1=O 95540803 XSFWAGIYLDWQBX-CFTRLRGZSA-N 788.518 8.982 50 1 KKGF CCN(CC)c1ccc2c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)C[C@@H](c3cccc5ccccc35)C4)cc(=O)oc2c1 95558992 NAAHDXASTHKBTH-PLTNMMHCSA-N 531.612 6.001 50 1 KKGF C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 150557316 PRFCTVHQZMWKLO-JFDROPRKSA-N 901.062 13.125 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 169358125 ZMYCLKSPUUAQFN-UTQJWRGESA-N 945.072 7.011 50 1 KKGF COc1cccc(Cc2cc3c(OC)cc(CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)cc3oc2=O)c1 170168237 KOFFKTIBACXUQS-UHFFFAOYSA-N 564.754 6.478 50 1 KKGF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]45O[C@H]4[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C 255214441 HAAIKLIMLBUYHH-IPPCFKLTSA-N 627.303 5.278 50 1 KKGF CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C 299826028 PTYVCIVEJQEWFZ-WBSAUSLHSA-N 879.828 5.734 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586999239 WPVUFTIYYIEBFG-UPHRSURJSA-N 548.125 7.644 50 1 KKGF COc1cc2c(cc1OC)[C@]1(C(C#N)=COc3cc(Cl)ccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671012 HWJYPSAGKQAHCK-HHHXNRCGSA-N 540.925 6.118 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@H](c2ccc(OCc3ccccc3)c(B(O)O)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369869 YNBKHTKMAPXQRN-JSXFGMRASA-N 655.512 5.089 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C(=O)O)Cc1ccc(O)c(C)c15 963524205 JSBFBFKNTIBPTR-BZTRFMKMSA-N 656.191 5.641 50 1 KKGF CCOC(=O)[C@]1(CCCCCCCl)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963584982 UESKKMDKOJJHSP-LJAQVGFWSA-N 590.042 6.306 50 1 KKGF Fc1ccc([C@]2(CCCCCCCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1Cl 963817786 PXOWTHFHJHAVTI-PMERELPUSA-N 525.495 8.118 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(c3ccc4c(c3)cc(O)n4C)[C@@H](C)Br)nc(Cl)nc21 963928840 PDVVFNJIJRSYEY-WVDZOPJMSA-N 595.929 6.053 50 1 KKGF O=C(NCCc1nccs1)c1ccc2c(SSc3cccc4nc(C(=O)NCCc5nccs5)ccc34)cccc2n1 1772658221 ZZWWQLNFHHEYRR-UHFFFAOYSA-N 628.830 6.440 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(OCO)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@@H]3CO 2356292361 PXLYPPVDZHHBNF-UZSVNXIKSA-N 963.228 7.735 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)C[C@H](CCCO)[C@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356301579 WYRFCLAKMXVTBO-DLYARQKCSA-N 933.154 9.489 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)C7)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356350973 NMCPBFKPOSLMST-YFDOXMEJSA-N 934.318 7.376 50 1 KKGF CN[C@H](O[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC2([C@@H](C)O)CCCC2)c(CO)c1 2356364924 BSRKCMWHVSVPDX-GCJZTIHLSA-N 791.045 7.756 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@@H](O)C2CCCCC2)CC[C@@H]1CCN 2356401601 KDFFTWWWHDDJTR-BTCMHTBVSA-N 728.074 7.173 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@@]78CCC[C@@H]7C=C[C@@H](C8)C67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@@H]41 2356414355 JPMCNBDTTGKXAV-BFWANLCOSA-N 972.372 7.033 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356448078 OEZVCEWREBWGBB-UGGXVARPSA-N 993.434 11.612 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4[C@H](CNC(=N)N)[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@]34C)[C@@H](O)CC1=C1CCCC2(CCCC2)C1 2356476250 FTNWCJXOLUVFNE-JLRNJZPBSA-N 864.276 7.584 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OCCCO)C3)c2O)C12CCCC2 2356524276 XLBOVVXSJWIJAT-ZUQXMOIUSA-N 911.285 8.854 50 1 KKGF C[C@@H]1CC[C@H](O)[C@]23[C@H]4[C@]5(C[C@@](C)(C#CC[C@@]6(C[C@H](Cc7ccccc7)CC[C@@H]6CSSC[C@H](Cc6ccccc6)C1)C(=O)O5)[C@@]2(O)CCC1=CC(=O)OC1)NN[C@H]1CCC[C@H]1[C@@]4(C)CC[C@H]3O 2356575552 RROLLMKSHDNECO-QOQGZIFSSA-N 951.349 9.144 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)CSSCCC[C@@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 2356602603 GEFOEAVVPZSQDR-VHVPYYPQSA-N 854.191 9.649 50 1 KKGF COC(=O)CCCCCCC[C@@H](O[Si](C)(C)C)[C@@H](CC=CCCCCCO[Si](C)(C)C)O[Si](C)(C)C 2356661962 WIZYORSJSLAYHG-KAYWLYCHSA-N 561.041 8.689 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@H](c3ccccc3)CC[C@]43C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@H](O)C2)C4 2356741588 BXMKFVBMCYBUDH-DPDDHSGNSA-N 977.391 10.707 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCO)(CSSCO4)[C@@H]85)C[C@]4(CCCC45CCCC5)C[C@@H]7NN6)[C@H](O)[C@@H]3O)c2c1O 2356780000 ZYZNSDALSWQHRA-ZOODYGHCSA-N 929.164 5.317 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](NC[C@H](C)O)C[C@@H]([C@H](C)Cc4ccccc4)C#C[C@@H]3C=C12 2356851691 QIRCMVNKDYLZRE-FKSPOUKISA-N 967.352 6.753 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356876122 ZVKPSNJNGCNBCY-VTEKAHLTSA-N 816.055 6.209 50 1 KKGF O=C(CCCCCC(=O)N1C[C@H](CCl)c2ccc([N+](=O)[O-])cc21)N1C[C@H](CCl)c2ccc([N+](=O)[O-])cc21 1651279 ARBYAROFENWSID-IRXDYDNUSA-N 549.411 5.492 50 1 KKGF O=C1[C@H](Cl)[C@@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009700 ATBZTJLBWDORJQ-UEZDOGJKSA-N 551.049 5.173 50 1 KKGF COc1cc(CCN(C)C)c2c(c1O)SSc1c(CCN(C)C)cc(OC)c(O)c1SS2 35274629 SYDGARHBWHZCIW-UHFFFAOYSA-N 514.760 5.235 50 1 KKGF biogenic CCCCCCCC(=O)Nc1ccccc1SSc1ccccc1NC(=O)CCCCCCC 43860844 JELQFSUTLXDEPR-UHFFFAOYSA-N 500.774 9.084 50 1 KKGF CC(=O)N[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 44360752 SZGRPKUOURXHEQ-LZECRQBUSA-N 603.631 6.071 50 1 KKGF C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(OO4)C4CC6CC(C4)CC5C6)cc3)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 49898907 PQQYBUKYBWQPKG-VIXLWLKQSA-N 730.898 10.296 50 1 KKGF CNC(=N)N[C@]12CCC[C@H](C1)Oc1cc(ccc1O)C[C@@H]([C@H]1C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC21CCCCC1 85597177 MCRMZNCCXDVDOM-BWPVZRLBSA-N 821.075 7.732 50 1 KKGF biogenic,in-vitro COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)/C=N/NC(C)=O)CC[C@]43C)[C@@H]2C1 103148713 RKSKZAQALBNHLF-UZRYUHBLSA-N 551.772 6.382 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1CCC2 103950667 DHLOGCWREVORLD-IBGZPJMESA-N 509.387 6.185 50 1 KKGF C[C@H]1C[C@@H](S(=O)(=O)c2ccccc2)[C@@]2(OCCC[C@H]2C)O[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195241554 BPFJNROXCOHIHQ-HCZXOXEYSA-N 592.874 5.973 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O 195439673 VJSLAEHMOUSVLS-MWTXHCMUSA-N 506.756 5.563 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 299815723 RKLDGEIKBMOFAU-QMDZLBAXSA-N 563.474 5.440 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4cccc(Cl)c4)cc3O)sc2c1 299832393 VNNOSUOCWNNGNJ-UVHMKAGCSA-N 510.019 5.452 50 1 KKGF CC(C)(C)Oc1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NNC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1 299863970 QPWZFCKWJNLMKC-LHEWISCISA-N 749.868 6.462 50 1 KKGF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)nc1C(F)(F)F 587118017 ISZVXKVEAUAWBK-UHFFFAOYSA-N 513.370 7.059 50 1 KKGF O=S(=O)(Nc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cc(F)ccc1F 587140801 QWXMKDKLTCVCQW-UHFFFAOYSA-N 511.444 6.966 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 587673203 LJIYDZOVDSHDFE-LFPIHBKWSA-N 566.696 6.401 50 1 KKGF COc1cc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720819 UZEVLPSFYJRJOE-OVWNDWIMSA-N 509.160 5.371 50 1 KKGF C[C@@H](Br)[C@]1(c2ccc(Br)cc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962408165 VTZLQSYGJFRZJM-XKMOLYPPSA-N 662.378 7.132 50 1 KKGF CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@@H]([C@@H]2C1)[C@@]1(C=C2[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962657395 BQHLDFYMHQXAFL-FFRAXZPRSA-N 781.001 8.703 50 1 KKGF FC(F)(F)c1cccc2c1[C@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)NCC21CCOCC1 962955042 JZGYWKPEMDRMAY-QHCPKHFHSA-N 576.240 6.957 50 1 KKGF COc1ccc(C)cc1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963034075 YGSONWZWGFEKGM-FIPFOOKPSA-N 567.867 5.929 50 1 KKGF C(=C/c1ccc(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1 1857538298 PQRVKQPJBRFUIN-OCEACIFDSA-N 541.695 8.790 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857551026 LSHAPJSSPZYCNJ-INIZCTEOSA-N 529.427 5.406 50 1 KKGF COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2)c2ccc(Cl)cc2Cl)CC1 1857573394 RUGZUJWEVYDLKD-UHFFFAOYSA-N 542.511 5.435 50 1 KKGF COc1ccc(/C=N/NC(=O)c2ccc3[nH]cc(C(c4ccc(C)cc4)c4c[nH]c5ccc(C(=O)N/N=C/c6ccc(OC)c(O)c6I)cc45)c3c2)c(I)c1O 1857634072 YUFVAYLZNVXQMU-ILMCGJENSA-N 972.578 8.303 50 1 KKGF COc1cc(N[C@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(C)cc1 1857646657 LZDDBHUUFQMSBL-KPSQFWPKSA-N 641.853 8.338 50 1 KKGF CC(C)(C)OC(=O)N1CCC(CN(C(=O)CCl)c2cc(C(=O)Nc3cccnc3Cl)cc(C(F)(F)F)c2)CC1 1857767045 FDYQXRMYNHBEGV-UHFFFAOYSA-N 589.442 6.225 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C6CCCCC6)CSSCNc6cc(ccn6)[C@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356321355 ISUZQWDVJDGTAT-DOGYHDKSSA-N 753.987 8.152 50 1 KKGF CC[C@@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@@H](CSSC1)C[C@H]([C@]1(C)C=CC[C@@H](C)C1)C2 2356376729 WFDNBKYCWFAFGP-TYRQPRRDSA-N 548.902 9.904 50 1 KKGF CC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356440087 MXAWBPGQJSLERK-WNQXLSPZSA-N 558.800 7.753 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356498155 KRDDSXQIPROAQA-YEKIEMMOSA-N 909.262 7.233 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](O)[C@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H]1O 2356499839 LHICTIBASFRESH-IGKTYTQLSA-N 688.173 10.233 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356543209 IIXNSKYSPHYGGM-LNOOFJJKSA-N 901.239 5.838 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356595846 VMQGYWJVXZENSM-ACTAMRKTSA-N 948.298 6.872 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2C1 2356664075 GZXFTIBVEUGZSC-UGYCUUHDSA-N 601.077 10.386 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356696879 XWZFZHPAQIJHEA-URNCSKSMSA-N 877.135 7.280 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@@H]41 2356760402 HEHHAVLIZIEJLP-BJADTWONSA-N 894.258 5.840 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@]1(C)[C@H](Br)CCC(=CI)[C@@H]1Cc1cc(C(=O)O)ccc1O 2356788071 BVVBECHWVBGMKA-MUCNAZSHSA-N 820.182 9.430 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@]23CCC[C@H]2C=CC2=CNCN23)SSC1 2356829946 JCJUSKHELYBWKH-ZCUCOLRVSA-N 646.879 6.566 50 1 KKGF C[C@@H](CCCCl)[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)C[C@]4(C)[C@H]3CC[C@]12C 2356848472 PFDPEDJNJSTNLH-MZMCVSKISA-N 557.171 5.286 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356851731 QJAZLCXWDPDILR-KGVHVNIJSA-N 786.113 8.766 50 1 KKGF C[C@@H]1CC[C@@H]2N3C[C@H]4[C@@H]5[C@H](CC[C@@H]4[C@]2(O)[C@@H]2CCC[C@]4(CC[C@H](Cc6ccccc6)C4)C2)[C@@H]2C[C@H](O)[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]2[C@@H]5CSSC[C@H]13 2356859122 SRGWDJXDRXNQGS-IYMJAIIKSA-N 734.169 8.867 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3c(Cl)cccc3n2C)c(C(=O)Nc2ccccc2)c2c(Cl)cccc21 26150345 BLTLMFALRUNXKG-UHFFFAOYSA-N 631.610 9.281 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(F)cc2)cnc2c(C(F)(F)F)cccc12 49746294 VXTYZZLLWQOPHG-LQMNFFGNSA-N 597.638 6.208 50 1 KKGF C[C@H]1CC=C[C@](C)([C@@]23C=C[C@H]4SSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@@H](C[C@@H]4C2)C3)C1 85543512 KXDOYOLATPZWGK-GECBMHFFSA-N 559.885 8.732 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597339 IAHRYXGYGVKKCV-JEXREGNNSA-N 777.018 7.823 50 1 KKGF biogenic,in-vitro C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3ccc(C(=O)O)cc3)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 95602643 XFRVWECCGKARIU-IRLBYYFZSA-N 690.838 5.573 50 1 KKGF COc1cc(N[C@@H](C)CCCNC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 103250417 HZIBYXJSDOVTQH-DKQYUEFCSA-N 537.701 6.115 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc(ccn1)[C@@]1(CCC2(CCCC2)C1)C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 150344706 AYOWVKCQDWOWLU-WGEIVVFYSA-N 901.113 5.707 50 1 KKGF biogenic,in-vitro CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSS[C@H]1C=C[C@]3(Cc4c(cc5oc(C)cc(=O)c5c4O)O[C@@]3(C)C1)OC2=O 150345656 YTNDTXNDDWUBGY-WSRVYZNRSA-O 847.012 5.457 50 1 KKGF biogenic,in-vitro Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2cccc3cc[nH]c23)c1=O 170071038 USAGWBBUYZOBDV-XWVXKNCSSA-N 733.049 5.251 50 1 KKGF CCCNC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)NC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 195439324 QLEHRXRRZLUJEH-UMCMBGNQSA-N 637.931 5.392 50 1 KKGF CCCCC[C@@H]1CCC[C@H]2N[C@@H](CCCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@H]12 195759922 PBOVJYYHOUXFBG-GBWWDHKLSA-N 533.917 8.241 50 1 KKGF CC(=O)O[C@H]1C[C@@H]2[C@H]([C@@H]3CC[C@H]([C@@H](C)CCC(N)=O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@@]12C)OOC1(CCC(C)CC1)OO3 299814681 SFYMERLVGXDHSO-MZUOXSTESA-N 633.823 6.143 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccc(O)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 299824401 LCHQLVMHOJANLQ-ICUTVXMZSA-N 586.664 5.828 50 1 KKGF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587150801 SPVXJGZOECTCDU-SFHVURJKSA-N 522.312 8.323 50 1 KKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587536709 ZOFRHNCKQJRZSL-GDLZYMKVSA-N 553.511 7.335 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587616165 IYPKSXCEZZPYPH-BGFOOQBMSA-N 979.170 7.322 50 1 KKGF CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 587663176 WOOVBGDNCFRHDW-UHFFFAOYSA-N 549.716 5.537 50 1 KKGF COC(=O)CCCn1c(C)cc([C@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1C 963032099 CAVFRFVWRHYVAY-PZSMLTKBSA-N 677.144 7.079 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CCCCCCl)c1ccccc1F 963079929 SSQMDYDSEGIYDA-QRQMUESOSA-N 559.078 6.347 50 1 KKGF CCOc1cc([C@@H]2C(C#N)=C(C)NC3=C2[C@]2(CC(C)(C)C3)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 963199204 PPHYLTIYCYKLLS-ZGSHEJARSA-N 711.815 8.098 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCn3nncc3-c3cccc4ccccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772589609 ZVHZXKYLDMIQDS-DKSWTILYSA-N 505.615 5.323 50 1 KKGF CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1 1857552845 JQVCQRHMQDKKRO-OAHLLOKOSA-N 503.024 5.945 50 1 KKGF CC1=C(CO[Si](C)(c2ccccc2)c2ccccc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@H](O[Si](C)(c5ccccc5)c5ccccc5)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857599983 PFUGAHMHGPUHAR-SRTPUACVSA-N 863.256 8.181 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3cccnc3)nn2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857626435 HHFADQCPHNHRJF-OBUCONSFSA-N 647.817 5.270 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(C)cc1 1857647246 ZJZCMINEMYYUBO-AYIDOICISA-N 655.836 7.865 50 1 KKGF COc1cc(NC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccccc1 1857757374 WOXVYOKNQHYIIG-UHFFFAOYSA-N 556.659 6.798 50 1 KKGF COC(C)(C)CC/C=C(/C)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]3CC[C@]12C 1857765249 PMPRHALMOYWUHA-ZZYWQEIQSA-N 595.703 8.101 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@@H](O)SSCNc7cc(ccn7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356321945 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5.598 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356395515 QWGCJUCPEHGEJR-LAWLVMQPSA-N 793.017 6.794 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@@H](O)C1)[C@H]2CCC(C)C 2356741228 WMYXMRAGLZGPFE-DLNSUCAWSA-N 735.070 7.289 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@](O)(CO)[C@H](O)C[C@@]6(CSS[C@H](CO)[C@@H]7CCC[C@H](CO)[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@@]7(O)C3=CC6=O)[C@]54C 2356745154 HZMAAVNHGLDJKX-IQWGVHTLSA-N 964.297 5.497 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNc7cc(ccn7)[C@@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356773156 SBPACOZDSMBCNV-HYYYBXAMSA-N 704.955 7.928 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356776531 UPCALCNATWKCQI-PSKDQVMQSA-N 958.389 8.109 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(C[C@H](CO)CCCO)CC3)[C@H](O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356850212 QAMXPYXJLLRDQE-DSKODDMXSA-N 942.254 7.624 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(C)C(=O)O[C@H]1C3 2356851722 QIYMZJZSRYBWCN-YUKSOCODSA-N 780.929 5.607 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)CO)[C@]1(C)CC2 40538081 ZGPUQTWSPUOZQF-SCRCAURGSA-N 521.698 5.351 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CCC(C)CC1)OO5 49792000 LVFILGIKWPFTSI-KCYDCYFZSA-N 617.868 7.642 50 1 KKGF Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1S(C)(=O)=O 73224165 HATGMDBEGOXIBK-RQOTYCFOSA-N 592.185 5.323 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@H]6COC[C@@](CCCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O 85511017 WIKMESULTZTLLA-WJKRXGONSA-N 845.086 6.623 50 1 KKGF biogenic,in-vitro O=C(C[C@@H]1CSC(N2N=C(c3ccccc3)C[C@@H]2c2c(F)cccc2F)=N1)N/N=C/c1c(F)cccc1F 98082043 HJHBUNDZDUJRDR-YQMITWEZSA-N 539.558 5.406 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CCC3=C([C@@H](CCl)C[C@H]4[C@@]3(C)CC[C@@H]3[C@](C)(C(=O)O)[C@@H](O)[C@@H](O)C[C@@]34C)[C@H]2C1 138127431 CWHJIJJSDGEHNS-ZOXADPNDSA-N 537.137 5.488 50 1 KKGF CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1cccnc1 143340761 QWRKHIVLDAAWQV-WMMMYUQOSA-N 519.593 5.559 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSC2(CCCCC2)c2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 150345676 TZBRZAQFWAYTJE-PMKGPLEQSA-N 730.909 6.769 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348639 CKJJUMZUBXCGNK-SMCHTJJSSA-N 1009.440 10.379 50 1 KKGF biogenic,in-vitro CCCCC[C@@]1(C[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372850 BVDCSUCKQJSEMS-RIEXPGKMSA-N 618.764 6.104 50 1 KKGF COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3oc2=O)cc(OC)c1OC 299841338 ZHXRYHYCMWAPLA-RUZDIDTESA-N 542.588 5.245 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCCCBr)[nH]c3cc21 586972474 SVBJLBPIZLANDG-UHFFFAOYSA-N 617.588 7.541 50 1 KKGF Cc1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1Br 586979061 PNOLTFKOVFTQPH-UHFFFAOYSA-N 507.120 7.424 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](N)CCl)[nH]c21 587010416 KBDVWYGYOVLJEK-HSZRJFAPSA-N 560.098 6.062 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320057 DKAINHIPOZMDHU-YPUBOHSSSA-N 533.393 7.361 50 1 KKGF Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccc(Cl)cc12 587371701 FQBLPOYLMQLZNI-RCZVLFRGSA-N 531.830 7.357 50 1 KKGF CCC(=O)O[C@]1([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587712519 BCEHPRWPULOFTN-MSLSTJKFSA-N 681.058 6.865 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2F)N1 587714895 GKQAYCBUKNHGBF-HUTHGQBESA-N 510.014 5.663 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3CC[C@@H](c3ccc(F)cc3)c3ccco3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587945098 JHLSBEURBPIWJC-CXTKQHDTSA-N 567.654 6.735 50 1 KKGF COc1ccc(Cl)cc1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963021762 RHVHQTMOGSBIJO-CUNXSJBXSA-N 588.285 6.274 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772818 AJWWZFBNGZWNNW-ZQHDKMAOSA-N 580.106 5.021 50 1 KKGF CC(=O)N[C@@H](C)c1ccc([C@@]2(CCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963929384 VHKZFJLRCLKFDP-HPGBDJQBSA-N 553.494 5.508 50 1 KKGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@]12C(=O)N(Cc1cnnn1-c1cc(Cl)ccc1Cl)c1ccccc12 1772601336 QJQWVLYKTOOOOA-JGCGQSQUSA-N 632.471 5.172 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](SC#N)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 1857548716 KDMJMGWOUSRWOG-FQAHDBCKSA-N 511.772 7.490 50 1 KKGF O=C(CCC(=O)NCCOCCOCC(=O)Nc1ccc2nc(O)n(C3CCN(Cc4ccc(-c5nc6ccnc(O)c6cc5-c5ccccc5)cc4)CC3)c2c1)NCCOCCOCCCCCCCl 1857595534 CJJCOOHMJLRHTF-UHFFFAOYSA-N 993.603 7.379 50 1 KKGF N#CC1=C(N)OC(c2ccccc2)=C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 1857603786 FVYHTJOFZUDSPQ-LJAQVGFWSA-N 522.608 6.967 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356295045 XOIQKFSSUYRPGY-ZXYFEMALSA-N 703.883 5.120 50 1 KKGF CCCCCC[C@](C)(O)[C@H]1Cc2c(cc3c(c2OC)C(=C2CCC(=O)[C@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356360206 AARMQUTXOOJJAW-DPUGKZODSA-N 641.761 6.900 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)C[C@@H]3C=C[C@H]4[C@@H]5CC[C@@H](C(C)=O)Nc6c(CO)cc1c(c65)[C@H]3[C@H]4CO)CC(=O)CC2 2356362354 FLAZJTUKYYZSBK-SEPBZBEFSA-N 979.271 8.881 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1[C@@H]2C(=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]23C)[C@]2(O)[C@H]3CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]4CCC[C@@H]1[C@]2(C)[C@H]4C3 2356372300 BIEAIYVRUSCGOT-FICGBIITSA-N 908.329 7.553 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)C[C@@H](O)[C@@H]1CCN 2356380386 DBZVUZYQGKMFLI-AMWOHWFDSA-N 760.072 5.115 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@H]([C@](O)(CCCCO)C1CCN(CCCOC)CC1)C4 2356415597 PQJDIFBGBBPNJP-BMWIIIPASA-N 871.037 5.238 50 1 KKGF C[C@@]1(C2CCCC2)CC[C@H](O)[C@]23[C@@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CCCC[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@@]3(O)CCC1=CC(=O)OC1 2356532566 PFQMFAVWFGNZIH-LMUODQQMSA-N 859.248 9.794 50 1 KKGF CC(=CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356544272 JJTXYVOUNQSSNW-TWIBKELJSA-N 587.636 5.989 50 1 KKGF CN[C@@H]1CSSC[C@](C)(O)CC[C@H]([C@H](C[C@H](OC(=O)[C@]23CCCC[C@@H]2CCC(=O)N3)C2([C@@H]3CC[C@H]4CCOc5c(O)ccc3c54)CCNCC2)OC(C)=O)CC[C@H]1O 2356561213 UBSZCXOFLKNAPA-KLGAATJASA-N 846.166 5.850 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@H](CSSCc1cc(O)c(OCCNC5CCCC5)cc1[C@@H](O4)[C@@H]3COC(C)=O)C2 2356613855 ZUWPMNCRVDLOTJ-OYJUTUIDSA-N 649.831 7.000 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)[C@](C)(C=O)[C@@H]5CC[C@@]43C)[C@@H]2C1 2356650777 QTTFBBGYMYEHFO-PBUHODTASA-N 615.060 9.565 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356855702 RSKDJIUGLMQCGI-MNVXZFHUSA-N 571.849 5.589 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356874907 ZWOBEMJRBXEXFL-FCEISLOVSA-N 928.139 6.742 50 1 KKGF CCCC[C@H](CC)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@H](CC)CCCC 29468861 BSYRXGVHBHLECM-PSWAGMNNSA-N 528.828 8.378 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cc(F)ccc2O)cnc2ccc(F)cc12 49767242 VLAGVJZABQWLSW-PXKNGSOSSA-N 563.630 5.034 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCN3CCN(c4ccnc5cc(Cl)ccc45)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 71410487 NFGGZQKYKOLJFX-HMLYFKECSA-N 586.129 5.152 50 1 KKGF COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(C)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84724519 CCFXOMJZGINVSB-RUZDIDTESA-N 514.029 5.969 50 1 KKGF CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2[C@H]2C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]2(C)CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 95535864 JGBUMXBVCHFDTQ-FNEZXXHDSA-N 821.961 5.832 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 150348676 OPAOLUXJRSYOEO-VTHFEOOWSA-N 875.215 7.831 50 1 KKGF biogenic,in-vitro N[C@H]1NC[C@@]23C=C[C@@H]4C5=CN=C6C=[N+](C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@@H](C8CCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@@H]5C#C[C@H](O)c2ccc1c3c24 150348944 ZEEUMGIDTCWWFU-JVHALARLSA-O 938.205 7.040 50 1 KKGF biogenic,in-vitro CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(C4(NC)CCCC4)c2)[C@H](O)C[C@H]1CSS[C@H]3CO 150349710 CFECWONYAVMAFR-MDXCNIQFSA-N 1040.380 10.480 50 1 KKGF biogenic,in-vitro CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)N2C[C@H](Cl)CC(C)(C)C2)C1 473116714 XINQZTKNKBUFTN-FVXXUCQHSA-N 627.653 6.723 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Br)C(C)(C)OC)[nH]c3cc21 586970592 CSOOYSFRTSYALG-SSEXGKCCSA-N 647.614 7.684 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(Br)cnc3NCc3ccccc3)nc2c1 587000336 MDCDNVQBVNBJQO-UHFFFAOYSA-N 584.206 8.419 50 1 KKGF CCNC(=O)c1ccc(-c2ccc(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2)cc1F 587147911 UTJYVSULKXXIFX-UHFFFAOYSA-N 578.376 8.129 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(OCc4ccccc4)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191146 PPGKHRXVWBXHEO-FXRQVDAJSA-N 667.891 8.174 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(F)c(Cl)c1 587337031 UQLJYSKFWJZFPD-XTEPFMGCSA-N 528.382 7.225 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 587672814 IGIRFVKHTPOOJA-IQMFZBJNSA-N 505.225 6.553 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)N1 587719267 PVXWUPCVMKAJPI-JUBXSTORSA-N 669.047 6.652 50 1 KKGF CN(C(=O)NC(=O)c1ccccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 653907629 RMBAUSVSYCJOJE-IELPSJOKSA-N 629.436 6.089 50 1 KKGF COC1=COC(CCl)=C[C@]12c1ncccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962404128 MZWBBWWVJQDBDP-FYBSXPHGSA-N 544.991 5.178 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCCCCCCl)(c1cccc(C#N)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962625827 CZOQBWBYWBEORF-FREGXXQWSA-N 539.072 6.440 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955745 LVIANGUCWCWFST-AKGWNBJDSA-N 574.046 7.163 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C(=O)c1ccc(Cl)cc1 963029338 UNLSVMDPVXJUOA-MYVCOICNSA-N 628.943 8.257 50 1 KKGF CC(=O)O[C@H]([C@@H](O)[C@@H]1c2ccccc2CCN1[C@H](C#N)c1ccccc1)[C@H](OC(C)=O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 963209819 YALCIIIZZIDLRN-ROPWSFLRSA-N 720.939 5.012 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(Cc2cc(O)nc3ccccc23)N1C(=O)c1ccccc1 963446234 IPOIDJDUTPQBJE-SETSBSEESA-N 525.992 5.250 50 1 KKGF COC(=O)c1coc([C@H](Cc2ccccc2)n2cc(C[C@@H]3C[C@H](CCc4ccccc4)C[C@@H](O[Si](C)(C)C(C)(C)C)C3)nn2)n1 1857534636 OVCGHHIQPXUZIH-YUXCJTBFSA-N 628.890 7.867 50 1 KKGF Cc1ccc(Oc2ccc(Nc3c(C#N)cnc4ccc(NC(=O)C[C@H]5CCSS5)cc34)cc2C)cn1 1857604575 CQCLAZVGEAFCEC-HSZRJFAPSA-N 527.675 7.137 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCC[C@H]3CC[C@@](OC(C)=O)(CC2)C[C@@H]3O)CC1=O 2356383405 LTTFSUUUDZKCFH-DFKPGZNPSA-N 727.006 6.175 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1[C@@H](CCCO)C=C[C@H](C4=O)[C@@]512)CCNC(=N)N3 2356425765 ROHOJMVXUMLBPB-SDMZPLSTSA-N 613.934 5.996 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OC)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O 2356553199 RGVODVDAAJLWFE-IFNMTSGPSA-N 652.831 7.232 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](C2CCCCC2)Cc2cccc(c2)C1 2356563914 DUEACDWPNQVCIJ-SZJYKIBOSA-N 743.086 7.103 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356728808 VNCSOJHQVFAUMC-GIYLKNNZSA-N 904.297 6.939 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)C1(CC=C(C)C)CCCC1 2356756700 DUAGAVSEANEZKB-FNWCLBHESA-N 584.838 6.157 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356768671 RGBYPNPZOQFIBQ-CKGQHTKSSA-N 875.201 5.102 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356769190 YFVKETPDTZRPQT-IIIQRNMNSA-N 775.084 5.658 50 1 KKGF O=C[C@]12OCSSC[C@H](C3=CCN=C3)[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)CNC[C@]1(O)[C@H](Oc1ccc3c(c1)OCC(=C1C=CC(O)=C[CH-]1)C3=O)O[C@H](C(=O)O)[C@@H]2O 2356827695 IOMYCSSPZIWQSL-FXVHRWAVSA-N 918.079 6.125 50 1 KKGF CCCONc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4ccc(N(CCCl)CCCl)cc4)n(C)c3)n(C)c2)n(C)c1 27523211 KFIMPXUXZBLHMK-UHFFFAOYSA-N 657.603 5.497 50 1 KKGF O=C(/C=C/CCCCCCCCCCBr)C[C@H](O)CCCCCCCCCCBr 43523972 IJUVRYLJNJSEAF-DQJRMYJUSA-N 538.449 8.674 50 1 KKGF O=C(O)c1pc(P(Cl)Cl)c2ccc(O)c(N(N3C(=O)[C@@H](Cl)C3(C(=O)c3ccccc3)C(=O)c3ccccc3)[N+](=O)[O-])n12 49765583 DHMICDRIIJWSAE-QGZVFWFLSA-N 667.722 5.205 50 1 KKGF O=C(N/N=C/c1cccc2c(OCc3ccc(OC(F)(F)F)cc3)cccc12)c1ccc(O)c(Cl)c1 95117921 VEHKHQXOBRPGMA-XAZZYMPDSA-N 514.887 6.440 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1CCCC2 103950598 RQHKSYRZTUDWHP-HXUWFJFHSA-N 523.414 6.575 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)c3cccc(C(=O)OCC[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297191 BASIFMFAPRPHNK-KDQKNRJWSA-N 754.914 7.281 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(/C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C\C=C/C1=O)[S@@](=O)SC(=O)[C@]2(C)O 169306317 JFEMHRLBYMSHKB-KENZZSOASA-N 749.074 8.409 50 1 KKGF CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)O/C(=N\C2CCCCC2)NC2CCCCC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716319 ULMDAAQXWOWBII-RUFIJWJNSA-N 636.874 7.656 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O 254076443 IEYIWXBJAVNHQT-CDCQYTEESA-N 594.190 5.185 50 1 KKGF Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCCCC[PH](c1ccccc1)(c1ccccc1)c1ccccc1 263621212 XFZHUJRJLSACIB-UHFFFAOYSA-N 759.654 7.180 50 1 KKGF in-vitro O=S(=O)(NCc1cccs1)c1ccsc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586945063 CMPYSBNGJQPGTI-UHFFFAOYSA-N 501.549 6.489 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326092 JTLMFSHSNUQEIA-XRKRLSELSA-N 536.386 6.665 50 1 KKGF Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)sc2ccc(Cl)cc12 587371703 FQBLPOYLMQLZNI-RDGATRHJSA-N 531.830 7.357 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587539411 WINOPAVKEADISD-AOJNWGRGSA-N 510.384 5.627 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1OC 587614496 SSBUGZITUHDUKV-NKLHJNDUSA-N 549.004 5.779 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 587711249 JAFFJJQYVDVDJF-XYZCENFISA-N 515.570 6.433 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)N[C@H](C)Cc3cc(Br)c(F)cc31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587828926 BFKWUEXZEBOQOQ-AXMJMEGQSA-N 981.047 7.548 50 1 KKGF Cc1cc([C@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc(C)c1O 962473247 HWIDHKXNDRUSPC-CYTLCNBWSA-N 569.057 6.147 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(CNCc1ccco1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962684354 ZZSWHVNUPFCNCG-VWLOTQADSA-N 522.951 5.238 50 1 KKGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(Br)c(F)c2CBr)N1 962695997 FEERZEBPTNDMNO-ZBFHGGJFSA-N 529.097 5.329 50 1 KKGF Fc1c(Br)ccc(C(F)(F)F)c1[C@@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962995163 FKXIYCZKCXOLFG-HXUWFJFHSA-N 564.240 6.760 50 1 KKGF COc1ccc(-n2c(C)cc([C@]3(CCl)c4c(ccc(F)c4F)C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c2C)cc1 963044379 VWGNTXTXUKHFRI-FXBDCZLJSA-N 683.151 8.124 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1C(=O)c1ccccc1 963452688 ZNGOGDCAZKUCQP-FKAPRUDGSA-N 540.019 5.409 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCCCl)(c1ccc(Br)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963804831 AYRDLZMWUXEFJP-WJOKGBTCSA-N 609.948 6.868 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccccc2Cl)nn1 1857645110 RQGLQSCCWSIJAG-FLUZQYQLSA-N 524.105 6.727 50 1 KKGF COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@H](Cl)CCCCCCCC(Cl)Cl 1911579719 LYNNXBLBTVEXNG-KFNOEDEKSA-N 528.989 7.062 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@@H]1C)N43 2356352382 SAZWQMRMIIQBKF-UKQXMYKPSA-N 587.848 6.570 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356366085 ZGLHXDSQOOGGIK-YUMYKHSJSA-N 722.118 8.251 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c4c2OC[C@@H](CO)CCc2cc5[nH]ccc5cc2[C@H]2CC(=C4C(C=O)=C(C(=O)OCC)O3)C[C@H](CO)C2=O)O1 2356382806 OKWIZRAXJQELQU-LMFNQQMNSA-N 771.904 5.536 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356441953 JKRVPFRVJGLEHE-UZRHFPPRSA-N 902.271 6.268 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)[C@H](CCCO)SS[C@@H]5O 2356519959 TYGWZAMUBYOZNS-DPBUAPJASA-N 958.290 5.039 50 1 KKGF OC1=C(Oc2ccc(Br)cc2Br)[C@@H](Br)[C@H](Br)C(Br)=C1 2356786357 AOARUSLMRJGGMJ-MNOVXSKESA-N 582.706 6.179 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@](CCO)(CCc4ccccc4)C[C@H](O)CC[C@H]3O)C=C12 2356816262 CZMNPIGRZOFCOO-HWMSNOMBSA-N 940.282 6.281 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356848457 PEYWUSDRFGZXCH-FONZBCJQSA-N 666.006 7.825 50 1 KKGF O=C[C@]12OCSSC[C@H](C3=CCN=C3)[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)CNC[C@]1(O)[C@H](Oc1ccc3c(c1)OCC(=C1C=CC(O)=C[CH-]1)C3=O)O[C@@H](C(=O)O)[C@@H]2O 2356869217 XJKBNUFXGHEQJS-PMBYPOPOSA-N 894.057 5.644 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](C2=CN=C6CN(C=C26)[C@@H](O4)[C@@H](C#C[C@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@@H](O)C1 2356875684 ZSSUFHSHDSMKGG-ZSRDLXKUSA-N 941.229 7.482 50 1 KKGF Brc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(Br)cc2)cc1 29394359 ICRIIQJMEQXBBE-UHFFFAOYSA-N 688.684 7.772 50 1 KKGF CNCc1cc(O)cc([C@@H](NC)O[C@@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 85597337 UMTFJRSOKDQKEG-JIBHKBFHSA-N 692.900 6.583 50 1 KKGF biogenic,in-vitro NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 95610445 JPTZDOYPNCQOTF-XXYZSSCBSA-N 816.679 6.588 50 1 KKGF C[C@]12CCSS[C@H]3CC[C@H]4c5cc(ccc5CO)CSSC[C@H](CC5=C6C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]62CC5=O)C[C@]31N=C(N)NC[C@H]41 150342279 JFRYEWCCUQVEIL-NGYMWASJSA-N 744.127 6.457 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@]4(CCC[C@@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 150348640 QEZFPCQAONZDAC-ORGWIGJGSA-N 925.315 9.402 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#Cc3ccc(-c4ccc(C#CCO[C@@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@]86OO7)cc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309802 CUBVVDUVPFUEAL-VTJWREMCSA-N 794.982 8.506 50 1 KKGF CC(C)=CC[C@@H]1C[C@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C 169366393 LCJOSIBQVUSWIH-RXQGCTDFSA-N 534.693 7.064 50 1 KKGF C[C@@H]1[C@H](CC(C[C@@H]2O[C@H]3O[C@]4(C)CC[C@@H]5[C@@H](C)CC[C@H]([C@H]2C)[C@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169616808 CRSJHIRCVZDTHB-YXQVFSMOSA-N 832.066 7.556 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@@H]([C@H](C)CCC(N)=O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCC(C)CC1)OO3 299847524 SFYMERLVGXDHSO-LTPUKCIPSA-N 633.823 6.143 50 1 KKGF CCS(=O)(=O)c1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586922553 PPDCVZGGVJLOPA-UHFFFAOYSA-N 505.328 6.367 50 1 KKGF C[C@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587055927 RKCZEQFADLDNNK-NSHDSACASA-N 604.222 10.222 50 1 KKGF N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)C1 587173203 SUBFFFUYRHQWGH-CYBMUJFWSA-N 636.460 7.756 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190815 RTEOMDSBSZLJJO-HOYRGQGXSA-N 562.755 5.990 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321110 IINOKNFBYPWQPI-NOKUJIJLSA-N 541.413 6.521 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1ccc(F)cc1 587331514 HNQAKZIKJHSVEH-PQHLKRTFSA-N 521.991 6.825 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1I 587567052 BPOWZZCQMAFVSW-WIYYLYMNSA-N 616.043 6.011 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587842357 DYEHBCIVXLTLLL-SQMFLSJESA-N 578.076 7.715 50 1 KKGF Cc1nc(N(C)C(=O)NC(=O)c2ccc(Cl)cc2Cl)sc1C(=O)N/N=C/c1ccc(C(F)(F)F)cc1 653857926 GMSBXUIIPATIBE-ORBVJSQLSA-N 558.369 5.527 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CCCCCCl)c1cccc(I)c1 962397618 JXFNZUVMCDORLC-XMMPIXPASA-N 538.926 6.792 50 1 KKGF CCCCCCCCCCCCCC[C@]1(CBr)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962665210 LPENTYMNYJDYGT-KYJUHHDHSA-N 545.606 8.015 50 1 KKGF C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2 2356301305 UNLUAROUPQICHZ-UZOCAKSXSA-N 924.242 10.035 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c2c(c(O)c(CNCCCO)c1CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@H]1C=C2 2356327910 LFWGYIQEJPMDFM-GUDZPLGYSA-N 987.254 7.584 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H]2C=C[C@@H](C[C@H](CC=CCCC3CCCCC3)[C@H](Cc3cccc(CO)c3)CSSCc3ccccc3C2)[C@H]1CCN 2356356520 ZSBZNYFSKQSOBD-YQWXKSMBSA-N 720.098 9.253 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NC1CCCCC1)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 2356519701 MOQQOAHWYLYLLP-QCAFLSCRSA-N 805.072 8.146 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@H](OCCO)CCCC1 2356860154 UCJOGPUDUBGQSU-MDFNNMSJSA-N 820.131 5.715 50 1 KKGF CC(=O)Oc1cccc2c1c(C(=O)Nc1ccccc1)c(SSc1c(C(=O)Nc3ccccc3)c3c(OC(C)=O)cccc3n1C)n2C 26152454 AURYYBJWNGTKQC-UHFFFAOYSA-N 678.792 7.825 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 44202141 VRSZIHWXQSNBDS-JSMIYBGHSA-N 524.948 5.975 50 1 KKGF COc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2c(C)cccc12 44281787 HYJPXOABVACUMG-UHFFFAOYSA-N 588.539 8.377 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccc(Cl)cc2)c1 103184451 NRKQHZGUKJFYBA-DHIUTWEWSA-N 587.257 6.299 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(COC(=O)CCC(=O)O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169289959 LKGRAXYPFZAARJ-VGEIAMOHSA-N 722.869 5.407 50 1 KKGF CCCCCC[C@@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372877 REXRRVDGTFBNLC-FIJVLFMVSA-N 632.791 6.494 50 1 KKGF CC(C)(C)[Si](Oc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCC/C=C\CO2)(c1ccccc1)c1ccccc1 170095606 UKKKBHAEFILWEP-WDZFZDKYSA-N 591.744 5.649 50 1 KKGF CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(=O)[C@H](Br)C[C@@]56C[C@@]46CC[C@]23C)O1 253638229 PJODGMQVMSZZCF-SABZNCMXSA-N 551.606 6.047 50 1 KKGF CCC(=O)OC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299807757 HWQAADDMJATBGE-UOUPPAHKSA-N 514.791 7.565 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(Br)c(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056769 RHHVWHIUTDXUBN-NTEUORMPSA-N 502.199 6.810 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587370178 VCCVZDJIYCVPMD-XNMGPUDCSA-N 574.468 5.355 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(F)cc1 587571693 OPMFEVLQHQDQCI-XSFGMVAVSA-N 506.961 5.747 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3)c(CCl)c2c1 587618837 WPPFQNGJWWSXCA-UHFFFAOYSA-N 550.818 6.054 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1 587670332 KCULILYJYKGLOP-DHTHFVMWSA-N 675.028 7.537 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 587672789 HWSOLLQRZRSDID-UPCLLVRISA-N 519.252 6.340 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](CBr)(c3ccc(F)c(C(F)(F)F)c3F)N12 962666024 MBSQHIULEJKYFB-YADHBBJMSA-N 529.303 5.269 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1cc(C)n(-c3nccs3)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679379 RTXRREXNRGJFLD-MUUNZHRXSA-N 590.067 6.768 50 1 KKGF Cc1ccccc1[C@]1(CCCCl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962719289 SXUOSCKENODBRQ-HCJVMEMPSA-N 658.189 7.374 50 1 KKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(CCCCCCCl)c1ccc(C(F)(F)F)cc1 962720152 ZVBDKMOAVLOQSA-BWKNWUBXSA-N 500.045 7.641 50 1 KKGF COc1ccc(C[C@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1 962971922 QLIDKDGUEBQSKZ-ZFYPQYBXSA-N 628.903 5.140 50 1 KKGF C[C@@H](Cl)[C@@]1(c2c[nH]c3ccccc23)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963197789 OFINKFUFNTUPKC-WXMQAYBKSA-N 567.041 6.892 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccs2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857533767 VHUICZOJPGXDGF-LXMGPWCMSA-N 579.542 5.909 50 1 KKGF COC(=O)c1ccc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1C 1857536831 PRBKNOIHJMTESG-UHFFFAOYSA-N 609.811 9.446 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)[C@@H](CC[C@]43C)C(C)(C)[C@@](O)(CO)[C@H]5C#N)[C@@H]12 1857654440 HTHQDCGZPCVCRB-GAWJSXDASA-N 525.730 5.079 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)CNCC 2356350520 DQQRFSUSJZEJHV-UQNGTMOQSA-N 666.988 6.120 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC3(CCCC3)C1)CC[C@@H](O)CC(=O)CC2 2356366119 ALRMSWXQPBEGOC-JPWSAXTGSA-N 885.206 6.788 50 1 KKGF CNCc1ccc(CO)c([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC4(CCCCC4)[C@@]34NC(=N)NC[C@H]24)c1 2356367613 GBKYHGURYHAHHU-KCFNZJDISA-N 763.127 6.602 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC 2356415713 SZWLTTKBTHUVFJ-KTEBTVBHSA-N 974.255 8.374 50 1 KKGF CC(C=O)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C=O 2356530243 JSINYVURRBCWJC-UHFFFAOYSA-N 560.822 10.848 50 1 KKGF C=C1C[C@H]2CC=CC(=O)O[C@@H]3[C@@H](C)[C@@H](C(C)=CC#N)O[C@H](CC=Cc4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)[C@H]3C 2356636187 YTQSRBIUUZXQQA-ZMEJQUSMSA-N 578.706 5.534 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@H](C)O)C2)Cc2cccc(c2)C1 2356752517 VZWVMLMHTGQJCQ-FQYICGLZSA-N 996.384 6.169 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]5C)c1 2356806088 AEUVQXWHNYHEBP-AXVHNNINSA-N 802.156 9.328 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@@]23CCC[C@@H]2C=CC2=CNCN23)SSC1 2356829943 JCJUSKHELYBWKH-MXLRHFSJSA-N 646.879 6.566 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1cccc(NC(=O)CCCC[C@@H]3CCSS3)c1)O2 27434075 WZYMNBQOXLGFCE-SKCUWOTOSA-N 528.740 6.692 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 34016202 ZSYCMXVHYNLFBD-PFZGRIPDSA-N 519.608 7.819 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H]([C@@]23CCC[C@@H]2C=Cc2c[nH]c[n+]23)SSC1 85596435 OPMVFEISDRAZGM-QPJXCZDCSA-O 671.909 7.296 50 1 KKGF biogenic,in-vitro CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 103210689 MBQGMHDCQJIYRY-GAPOMRBKSA-N 529.643 6.516 50 1 KKGF C[C@H](NC(=O)Cc1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 150557905 WOEHRBWYHDNVSH-UVQBCLPFSA-N 718.188 7.353 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CF 253862539 FEJQUBQBRRMWJR-SJTXVSOASA-N 523.428 5.846 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/C3CC3)c2)n1 299869407 URGNZKFHZDNLHH-XSFVSMFZSA-N 560.058 5.225 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054111 BXSKAOCGQKVEBP-VGOFMYFVSA-N 554.197 8.123 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621298 SIUHWHQHQLQZKG-FUOVQWBCSA-N 828.312 6.795 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(F)ccc2Br)N1 587726958 MYEIJSKXXUHDCH-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 587941912 YYXQFKOPUJXIJF-GBWKFYOGSA-N 847.329 6.913 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(S(=O)(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1cccc(OC(F)(F)F)c1 618017618 UGCWLMNGBPMASD-MOPGFXCFSA-N 662.605 5.061 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCl)(c1cc(C)n(-c3ccon3)c1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962623413 DMRDVBDBNHWFIY-CUNXSJBXSA-N 528.005 5.014 50 1 KKGF Cc1cc([C@]2(CCCCCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)ccc1Br 962962560 WDROFWASBZAVGG-DEOSSOPVSA-N 530.856 7.080 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2c(C(F)(F)F)ccc(Br)c2F)N1C(=O)c1ccc(Cl)cc1 963020764 QRPGPPOGCIBTJV-FNZWTVRRSA-N 688.697 7.532 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(CCCCC[C@]2(CBr)C(=O)OC)N1 963157941 BIPJOZWYESQTKR-HHAIEITISA-N 682.659 6.681 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CCCCCCCl)(c2cccc(I)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963222296 YRMGBSWRBYYRKX-DWEWYUIOSA-N 826.040 8.507 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cn([C@@H]4C[C@H](OC(=O)c5ccc(Cl)cc5)[C@@H](COC(=O)c5ccc(Cl)cc5)O4)nn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772602458 GWWFUNUACAYKKD-FCHPDPIPSA-N 755.652 6.149 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C1CCCCC1)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@@H](c3cccc4cocc34)CNC(=N)N2)C1 2356368306 JQWVCVZMWMVZNE-CWHRYCEDSA-N 948.437 13.276 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356374273 ROGSHOOSHSNFDO-BMQSASRRSA-N 861.136 8.497 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CC[C@H](CNC)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356483916 CIRPZZGIVZGOGV-MIVBWTEUSA-N 945.251 5.023 50 1 KKGF CC1(C)O[C@H](C=O)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)O1 2356770467 SONGBZAQUHTSIC-YDFSJSNKSA-N 807.094 7.642 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356777633 AICVCWYERNUPLV-IFRWWBCVSA-N 843.159 5.697 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@H]1Cc1cc(C(=O)O)ccc1O 2356788070 BVVBECHWVBGMKA-LKYUPIDKSA-N 820.182 9.430 50 1 KKGF CNC[C@@H]1C[C@H]2C=C[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCc4c(cc(CN5C=C6N=CC=C6C5)[nH]c4=N)-c4cc(cc(N)n4)CC[C@H]4O[C@@]24C(=O)O[C@@H]13 2356817310 DJQGTDSQSBVGRF-JWXIPOPWSA-N 888.085 6.170 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC[C@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356833141 IETYKMWTDMBRKM-ROWZVZMSSA-N 597.799 7.386 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356839109 WNORWPJQDUDYBN-RDBGZDNXSA-N 758.983 6.123 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C[C@H](O)CC[C@@H]3[C@H]1OC4=O 2356857529 SJQOMPPNEYCREA-XSMGISROSA-N 836.993 5.673 50 1 KKGF CC1=C(CCCCCCCCCCCCCCCCC(C(=O)O)=C(CC(=O)O)C(=O)O)C(=O)OC1=O 2356861445 UIZCWEFRBVSIBR-UHFFFAOYSA-N 508.608 5.568 50 1 KKGF CNCC[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356865900 VLOPSTVTKRZVDM-FPMGVRCBSA-N 844.021 5.831 50 1 KKGF C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(CCCCC6)OO5)cc4)cc3c2)cc1)[C@H]1COC2(CCCCC2)OO1 49898503 GESLBVFCTZEXML-LQDDJWCHSA-N 676.806 10.466 50 1 KKGF CC(=O)OC1=C(c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(=O)c2ccccc2C1=O 95561522 JOOUSMKWAJXISP-UHFFFAOYSA-N 625.681 7.193 50 1 KKGF C[C@H]1[C@@H]2CC[C@H](C)[C@H]3CC[C@@]4(C)OO[C@]23[C@@H](O[C@H]1O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]1C)[C@]52OO3)O4 101666777 DFPBBOCDGYBNBR-JZPPWWDQSA-N 550.689 5.419 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C\C=C(/C)C=O)C(C)(C)CCC1 114968883 IAEFJGPZEPGPGJ-BEBYVLACSA-N 548.855 11.727 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@H](C(C)=O)N1)C[C@H]3CO)CC(=O)CC2 150347631 VJAMOHXCKQSTJE-QADPCLROSA-N 955.249 8.859 50 1 KKGF biogenic,in-vitro CCC[C@@H]1[C@H]2CC[C@@]3(O)C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 150349145 JGXBRQZAKDBCHE-WIVQBQTHSA-N 871.158 8.742 50 1 KKGF biogenic,in-vitro Cc1c(-c2nc(-c3c(F)cccc3Cl)nn2C)sc(Br)c1-c1ccc(OC(F)(F)[C@@H](F)Br)cc1 150585077 LILSGWMQSBFTCU-OAQYLSRUSA-N 639.694 8.403 50 1 KKGF CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C 169291987 QSBKSFLMMQOILO-IPGLRVRISA-N 534.693 7.064 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)c4ccccn4)[C@@H]3CC[C@@H]2C1 169851891 USWHBYHBYFGYTM-QMKGPMEVSA-N 511.867 8.338 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC[S@](=O)CC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299845143 DKJUGBNRMHLOHT-QDPCKSCUSA-N 638.864 6.016 50 1 KKGF O=S(=O)(NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1c(Cl)cccc1Cl 586943065 NTEYKFXCRPAVET-UHFFFAOYSA-N 575.206 6.811 50 1 KKGF Cc1c(Br)cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1C 587055180 KOYYCOGCBOOIMC-RQZCQDPDSA-N 514.254 7.721 50 1 KKGF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587073207 GTYRZFSLOVDGIQ-QHCPKHFHSA-N 537.982 8.343 50 1 KKGF O=C(N[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 587236291 JLZLKXOITVXXEO-YTTGMZPUSA-N 690.532 10.101 50 1 KKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334759 YHLKRHDPTNRPKZ-JYFHCDHNSA-N 545.579 7.266 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 587537811 KNBABFMYSBUGRA-JOMNFKBKSA-N 584.422 6.477 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587616968 IFARVLCIQWGYIU-QABMSTFYSA-N 593.488 7.158 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 587673434 MUJZMHVTIZTZGE-WGDIFIGCSA-N 561.289 6.047 50 1 KKGF CCOC(=O)O[C@@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587686678 XCXNSYZFDPGXAD-CFUUBCEQSA-N 681.039 6.679 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 587698069 YDVOUBRQSRPXGS-JNZXMVHPSA-N 669.459 6.499 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2scc(Br)c2Br)N1 587845372 QNJSUDQUGPBZEE-ZIDLFYJRSA-N 532.498 6.191 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 962707689 XZVHRCHNMNLGPI-YOEHRIQHSA-N 590.003 5.565 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 962921312 GUPKQRPFFAOWMR-FEVNIDIWSA-N 573.989 5.181 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)C(C(=O)O)=NN(c1cccc(Cl)c1)C(=O)[C@@H]2I 963176879 UJPFHEYTCMMHPY-KPUYCTTMSA-N 812.064 6.107 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@H](c2ccccc2CCBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963182693 CUGFPQMXZNXDHA-LMSSTIIKSA-N 572.455 6.567 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCCn4cc(CNC(=O)CCCC[C@H]5CCSS5)nn4)cc3oc2=O)cc1 1857748802 ZJJDCZAMSDWKAH-MHZLTWQESA-N 608.786 6.250 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC 2356357993 WIIXGSGMSBRKDZ-GTHAQIEUSA-N 976.271 8.598 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@@]35C 2356371601 MIVUNPKOOUMSLD-GPNZRQOUSA-N 936.287 6.524 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@@H]1CC[C@@](c5cc(OCCC(C)C)c(O)c(OC)c5O)(O2)[C@H](O)[C@H]31)C4 2356436114 BAJBXSGMUXLKLI-ALMMSUABSA-N 708.939 8.648 50 1 KKGF CC(C)=CCCC(C=O)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C 2356515373 MLUKPOIWSTVUNY-LHEWISCISA-N 566.870 10.922 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356604068 RGUMEEDKDBZLDJ-OOECFRTFSA-N 885.240 6.867 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356630224 HFEAIECGYWDNDL-BGOOVGMESA-N 927.277 6.596 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)[C@H]3CSSC[C@H](CCO)[C@H]4[C@H](CO)C[C@H]1CC1=C3C(=O)C[C@]142 2356669095 MPPASOILWTVSGR-ZUFMFSGUSA-N 808.261 6.811 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)[C@H]2CC(CCO)=C[C@@H](C2)SS5)c1O 2356699674 DBTQBCTYKTVJRD-FYIYVLLWSA-N 863.104 7.996 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)[C@H]2CC=C[C@@H](C2)SS5)c1O 2356718749 FVDLGYMWJDQUNK-FNJHJCPQSA-N 819.051 8.243 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC3)CCC[C@@H](CC1)[C@@H](O)C2 2356771081 PDZPNXJERVDUOH-TZRHHGDXSA-N 995.450 11.874 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCC1(O)CCCC1)C(=C(C)C=O)CC[C@@]2(C)O)CCC=C(C)C 2356775570 NHNMGQOAZVFFMM-YPJZNHGYSA-N 540.785 6.283 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@@]35C 2356778413 UNVLLHPALOESCX-YUFMYYOMSA-N 848.181 7.165 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OC)C(CC)=C1C 2356811341 BNJIWSZTEYMVAX-UTKZUKDTSA-N 576.653 5.559 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](CN2C=CNC2)(SSC1)[C@@H](CCc1ccccc1)CN3 2356841740 MHEPGYSUBBQLPF-FXTJRKPESA-N 698.955 7.333 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)[C@@H](O)C1 2356865643 VKVGNVGHMWVEFX-VJOSBWJGSA-N 845.100 6.117 50 1 KKGF CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCI)C/C(=C/CCCC(=O)O)C[C@H]12 27518626 DJIYXYQVQHFZSA-CSDDOOCNSA-N 552.493 5.130 50 1 KKGF CCOC(=O)c1cc([N+](=O)[O-])c(COC(=O)Nc2cc3c(c4ccccc24)[C@H](C(=O)c2cc4cc(OC)c(OC)c(OC)c4[nH]2)CN3CCl)n1C 27636770 UWQLIBMYCQTOHG-OAQYLSRUSA-N 720.135 6.502 50 1 KKGF Cc1c(/N=C(O)/C(C#N)=C2\SC=C(c3ccc(Cl)cc3)N2c2ccccc2)c(=O)n(-c2ccccc2)n1C 44360982 MNFCEJMZJRFIGH-OLFWJLLRSA-N 540.048 6.713 50 1 KKGF Cc1ccc(-c2nc(CC(=O)N/N=C/c3cccc(OCc4csc(-c5ccccc5)n4)c3)cs2)cc1 66080494 XVCAPAXBXOXXNK-OKCVXOCRSA-N 524.671 6.514 50 1 KKGF CCCCOC(=O)[C@@]1(C)C(=O)C(C#N)=C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3[C@@H](C)[C@H](C)CC[C@]3(C)CC[C@]21C 71318985 QMFDTBNRBOOEBO-IJLSBMEOSA-N 533.797 8.226 50 1 KKGF CC(C)Cc1ccc(CO)c(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC3)c1 85549247 OURSFHMMLGSNOJ-KXQJLVKNSA-N 684.025 5.831 50 1 KKGF biogenic,in-vitro CCOc1ccc(OOc2ccc(OCC)c3cc4c(cc23)[C@@]2(C)CCC(=O)c3coc(c32)C4=O)c2cc3c(cc12)[C@@]1(C)CCC(=O)c2coc(c21)C3=O 85965369 MYYHLHILLRDLHO-NDOUMJCMSA-N 722.746 9.003 50 1 KKGF N#CC1=C(N)N(c2ccc(F)c(F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96907822 NRYYSWKOXQEAHZ-GDLZYMKVSA-N 579.994 7.135 50 1 KKGF COC(C[C@@]1(/C=C/O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc21)OC 195515617 SYNCAQZFBVDRAD-HLARWJPQSA-N 549.901 7.298 50 1 KKGF CCCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O 231928861 FPZCWGAMOFPTED-WPTAHUFXSA-N 620.935 8.589 50 1 KKGF C[C@](Cc1c[nH]c2ccccc12)(NC(=O)O[C@@]12C[C@@H]3C[C@@H](C[C@@H](C3)C1)[C@@H]2Cl)C(=O)N[C@H](CO)Cc1ccccc1 253837765 DBWPNUKBARPCAA-FILSKZHKSA-N 564.126 5.101 50 1 KKGF CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@H](O)C[C@@]3(C)[C@H]4CC[C@H]5C(C)(C)C(O)=C(C=O)C[C@@]56C[C@@]46CC[C@]23C)O1 299807159 FRDYBUXTGDPYDL-FVKOOUIQSA-N 500.720 5.726 50 1 KKGF N#C/C(=C\c1cn(Cc2ccccc2F)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 299819880 BOTZUGMCQOGBDG-KGENOOAVSA-N 525.634 6.518 50 1 KKGF CC(C)[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@H]5C=NN(C(=O)[C@H](Br)C(C)C)C5)CC[C@]4(C)CC[C@]23C)C1(C)C 299856189 IONHQRMQXLCCTE-AKVXMVSFSA-N 780.771 10.283 50 1 KKGF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587080520 PSBGUGZGMSMDRT-ZDUSSCGKSA-N 515.733 7.360 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 587319791 OECBUSNQJLZWBU-IJTWSFHESA-N 820.357 5.501 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 587332387 SFTLOISWHSDOET-HUHDNHSTSA-N 555.980 7.422 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540042 ZMVNFCPJKIWGCR-XMSQKQJNSA-N 510.167 5.960 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)c(C(F)(F)F)c1 587549476 QFVGZRHJRLOLPO-GHTZIAJQSA-N 558.144 6.426 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587721676 XDBOHNUXWATMNI-HIBPMPQZSA-N 693.069 7.464 50 1 KKGF CC(C)(C)OC(=O)NCCCNC(=O)C12CC3C[C@@H](C1)C1(OO[C@@]4(CCC[C@@H](OC(=O)Oc5ccc([N+](=O)[O-])cc5)C4)O1)[C@@H](C3)C2 621478516 WUYOPDMEJXVJKK-IPWHKPTKSA-N 645.706 5.281 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)c2ccsc2CCN1Cc1ccco1 962709066 QWUCSGSCRJFFDM-KGQVGUQWSA-N 714.296 6.686 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CCCCl)c3ccc(F)c(F)c3)c(O)c2C(=O)O1 962936676 PIOOVJHERRGBSC-KFLBZBJSSA-N 604.433 5.840 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]34CCCCCC[C@H]4Cl)c(O)c2C(=O)O1 962976336 VQVQHYXNOOJWDY-YCBUOIPISA-N 546.447 5.456 50 1 KKGF CCOc1ccc([C@@]2(C)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1CCl 963064455 AZXGSFNTJYOPNF-GTZDIBSYSA-N 768.199 9.044 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CBr)(c2cc(C)ccc2OC(F)F)N1C(C)=O 963299944 BOEWDQGFTISUSS-ABCZBHHISA-N 832.673 6.038 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)[C@@]5(C(C#N)=C[C@]43C)c3cccnc3CCN5C(=O)c3cc(C(=O)c4cccc(C(F)(F)F)c4)c[nH]3)[C@H]2C1 963580040 KKPGURXCZNGHOY-WSHJRRPFSA-N 861.018 10.288 50 1 KKGF NNC(=O)CCCCCCCCCOC(=O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccc(F)cc2)ncn1Cc1ccc(Cl)cc1 1772647924 IOTOJMCWWZHEMH-UHFFFAOYSA-N 664.609 8.460 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356359732 RMYUEBFSQAJCFH-DUOHZGQGSA-N 805.120 7.643 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(c6cc[nH]c6)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)C5)c1O 2356359845 UDCKWZOFJZUSBC-VYRYCROUSA-N 858.088 8.708 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c3c(c2)O[C@@]2(CNC)C[C@@H](CC#CO3)[C@@H](C[C@@H](O)OC)C2)N1 2356363691 LPSIYRVPKJUBGM-UEHQTGAJSA-N 833.130 7.559 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1OC(=N)O 2356409648 OHWUDMVJYPQYDU-SFGKGQALSA-N 986.472 12.456 50 1 KKGF C[C@H](O)[C@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@H](CSSC1)C[C@H]1[C@@H]2CCC[C@]12C=CC[C@@H](C)C2 2356436034 YFFVNYGARYVPCC-KVIHQXCDSA-N 590.939 9.265 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356620936 JPECSVDXVJQYSJ-HEMQVPDWSA-N 830.164 5.535 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356645093 FMXGBXQYOLAMDL-RXCFJLNVSA-N 795.118 7.035 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356721821 PHFMYXDGPGNDPE-HEMQVPDWSA-N 831.148 5.698 50 1 KKGF CNCc1ccc(CO)c([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@H]24)c1 2356732545 IQUISJOVUYASBA-NDOZYYHRSA-N 697.024 5.123 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356744003 UNUFSKHKVCUJRA-YHVGXZLTSA-N 808.079 9.322 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@@H]3c4c(ccc5cocc45)CCC[C@@H]3NC(=N)N2)C1 2356768710 UBICITBYWJWTHD-GPEJEWAYSA-N 920.383 12.421 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN[C@H](CCc2ccccc2)C1)C3 2356770893 KOKCMPXWYOVPLN-XFYHFYOBSA-N 774.911 6.423 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](OCCO)CCCC1 2356860152 UCJOGPUDUBGQSU-CYDYFTSCSA-N 820.131 5.715 50 1 KKGF C[C@@]12CO[C@@]3(P(=O)(c4ccccc4)c4ccccc4)C[C@@H]1CC[C@@]23CP(=O)(c1ccccc1)c1ccccc1 17595860 UIBHSDQMFKDEOB-FKAWIYLBSA-N 552.591 6.548 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)=C(C)N1 43860527 JAXIKFIDJJLTAT-MGBGTMOVSA-N 575.713 5.942 50 1 KKGF CC(=O)OCCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 49792272 QSFKUAPATIDDSN-LGPOXIGFSA-N 648.834 6.975 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCNCCCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 71332991 PUSFAASILSUVRH-HMLYFKECSA-N 588.145 5.811 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)COC(=O)N(CCCl)CCCl)CC[C@H]23)C1 72134965 NEMMSRWWWNYJJZ-AJKHRRMCSA-N 765.004 13.067 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O 85567724 MMRDPMGFIUVCRP-OVUOCUBBSA-N 724.938 7.981 50 1 KKGF biogenic,in-vitro CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 150349764 ZMSKWAGTKMSOTA-XUPRCXFSSA-N 945.237 8.761 50 1 KKGF biogenic,in-vitro 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](OC(=O)[C@H](OC(=O)OCCl)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 169296577 LHGUMNJPNCIESN-PRVZSDLVSA-N 946.399 5.093 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2/C=C(\C)CC[C@H](Cl)[C@]2(C)CC[C@H](O2)[C@@](C)(O)C[C@H]1O 255250614 OAZCZMDHKJUCJE-CSPWNIEISA-N 719.400 7.492 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(Cc3csc(-c4ccc(Br)s4)n3)[nH]c2c1 587017539 NARULCRNDAFEBM-UHFFFAOYSA-N 502.353 7.759 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056284 ONZMLSJLDLDPIG-PXLXIMEGSA-N 563.489 5.092 50 1 KKGF COCCNC(=O)[C@@H]1CCCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587230538 HPTWHRWXEPGOOB-NWDGAFQWSA-N 506.335 6.019 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321109 IINOKNFBYPWQPI-FTCKKRBISA-N 541.413 6.521 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Cl)c1Cl 587359608 IFPQEMRVEGOQRK-HYBUGGRVSA-N 588.278 6.281 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)O2 587375971 WEUKINSSHACOGR-XMMPIXPASA-N 534.237 6.126 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587847788 HIJFDJYNPHDZSO-URAOTHONSA-N 532.437 6.587 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3c(Br)cc(Br)c(Cl)c3C#N)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587935016 LRDREWAWLCEKGV-CDUXAGTGSA-N 658.771 6.820 50 1 KKGF CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H](C(=O)C(C)C)[C@]1(C)C/C=C/C(C)(C)OO)C2=O 653686885 BWBNFVQVOHLSCI-ADBHHMNFSA-N 584.794 7.558 50 1 KKGF CC[C@@H](C)[C@]1(CBr)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962696378 DRYNATRYTAKBLG-IQMFZBJNSA-N 514.382 6.057 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCCCCCCl)c1cccc(Br)c1 962996902 REMXHOQHYZFREJ-YTTGMZPUSA-N 647.437 8.210 50 1 KKGF Cc1ccc2c([C@@]3(CCl)c4cc(F)c(F)cc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c[nH]c2c1 963043047 TXROKDBHCZBBRA-FHPVIJFVSA-N 613.060 7.497 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21c2cccc(Br)c2CCN1C 963280083 MAULESKYKXPOCV-IYJVBRSBSA-N 544.276 5.993 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(c1ccccc1)[C@H](Cl)c1ccccc1 963841452 OSKPMVGDCMWIBK-UCVANPEUSA-N 506.042 6.855 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2oc3ccc(F)cc3c2C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937562 GGOKRWOOUAILJF-IRJHBEHOSA-N 730.722 6.656 50 1 KKGF CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCN=C=S)cc3)nc2n1C1CCCC1 1857557186 PMJWIURQAKDLNY-UHFFFAOYSA-N 505.648 5.203 50 1 KKGF [N-]=[N+]=NCCOCCOCCO[Si]1(OCCOCCOCCN=[N+]=[N-])n2c3c4ccccc4c2N=C2N=C(N=c4c5ccccc5c(n41)=NC1=NC(=N3)c3ccccc31)c1ccccc12 1857635648 CQLHDQPCDRXVNR-UHFFFAOYSA-N 888.982 6.092 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)c2c(c1O)Cc1cccc(c1)[C@H]1NCCC[C@H]1SSC2 2356291739 CVVMCWXOZAPTBD-UGJGXEMNSA-N 934.236 11.061 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356350326 ZUZGPHNUFQLOEK-YFOJQRSKSA-N 815.067 8.352 50 1 KKGF C=C1CCCC=NC[C@H](C)[C@H](C)CCCC=C(C)COO[C@H]([C@H]2C=C(C)C(=O)O2)CCCOC[C@](C)(O)CCCC1 2356520242 FSKQAQWZTWBTFJ-SAIFWBBHSA-N 575.831 7.483 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H](C)CCSS2)c(O)c(OC)c1O 2356721691 MDJUKVWHUGUICN-LZIBLBHTSA-N 712.883 6.200 50 1 KKGF CCC1=C2C(=O)CC3=C4N=C(C(C)=C5N=C(C=C6N=C(C=C1N=C32)C(CC(C)C)=C6C=O)C([C@H](C)O)=C5C)[C@@H](C)[C@@H]4CCC(=O)OC 2356817363 DKEMHTHVRWKIIY-HARLFGEKSA-N 634.777 6.238 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356837979 LPBXOWKVOYZSER-GUQMEBHCSA-N 826.094 7.627 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4cn3)ccc2[nH]1 29228021 YMHUGUDVJRYTKN-GOSISDBHSA-N 662.024 6.944 50 1 KKGF COc1ccccc1COC(=O)C[C@@H](C)c1ccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 103181947 DNMOOXSSVAYTFW-OQLYSYBASA-N 566.691 6.519 50 1 KKGF CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 253689850 REXRRVDGTFBNLC-QVLQEZPASA-N 632.791 6.494 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 299814713 STPFNZPGQPDBNI-UDIDDNNKSA-N 586.011 6.526 50 1 KKGF COc1cc(Br)c([C@@H](N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC 586976096 SZVCYIIETQGEHV-CQSZACIVSA-N 567.172 6.811 50 1 KKGF CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587040700 AGRZCSRKVDLPBM-INIZCTEOSA-N 558.392 7.269 50 1 KKGF O=[N+]([O-])c1cc(C(F)(F)F)ccc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587109691 MBGIZURAFHMMIJ-UHFFFAOYSA-N 526.203 7.501 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(OC)c1 587324306 XTEAGCKKMFLIJL-CKMSVJFGSA-N 501.348 5.586 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335740 ORUPJPGZGMRLBQ-BGWNEDDSSA-N 503.295 5.163 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)CC2=O 587462297 XJXDNCXMAVCEKH-WNJJXGMVSA-N 508.014 5.825 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 587673466 NALXEOXPHYKHRF-IQMFZBJNSA-N 517.240 7.176 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 587749202 CPNVOUVRJSSFRX-JATKUZPCSA-N 538.417 7.139 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(CC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653760813 DSBFYDBPCAQXCB-GOPVQMOLSA-N 630.704 6.184 50 1 KKGF Cc1ccc(-c2nnc(-c3ccc(CN4CCN(CCN=C=S)CC4)c(C(F)(F)F)c3)o2)cc1Nc1nccc(-c2cccnc2)n1 653805807 QJUAVGPPYDNMQM-UHFFFAOYSA-N 657.726 6.547 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962472430 GZRHJADQRIVORB-BBYJNERKSA-N 733.615 7.249 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1)(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962618023 DTPQPPLGRRHYHP-IEAGFJCDSA-N 582.053 6.546 50 1 KKGF FC(F)(F)c1cccc2c1[C@](CBr)(c1c(Br)cccc1I)NCC21CCOCC1 962958709 OLDSZJRLZZOVIS-HXUWFJFHSA-N 645.095 6.362 50 1 KKGF Cc1ccccc1-n1c(C)cc([C@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1C 962960121 RSSALUIBKVCVOS-HHHXNRCGSA-N 503.008 6.555 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 963182430 OXVHZFUIZHHRQK-OPHFCASCSA-N 519.350 6.663 50 1 KKGF CCN(CC)C(=O)[C@@H](Cl)[C@]1(C)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229044 GYIBNHKSTMMYBT-PHALFPIFSA-N 667.071 5.160 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1cccc2ccccc12)c1cn(CC[C@@H](Cl)CC)c2ccccc12 963237725 ZFCQQHYSMULKRK-MPHXGMLCSA-N 535.175 9.151 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@]2(c3ccccc3C(=O)c3c(N)ccc(NC=C(C#N)C#N)c32)N1C(C)=O 963328950 KAZMESNAIFCHSW-WFAPJJNXSA-N 867.897 5.251 50 1 KKGF O=C(/C=C/c1cc(O)c(O)c(O)c1)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1772578645 OXZVHKDGWVWYJU-UHFFFAOYSA-O 540.620 5.487 50 1 KKGF O=C(NCc1ccc2c(c1)OCO2)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccc6c(c5)OCO6)cnc34)cccc2c1 1772632793 JCTJRDCMJZWTNM-UHFFFAOYSA-N 674.760 6.900 50 1 KKGF Cc1ccc2c(c1)[C@]1(C(=O)N2Cc2ccccc2)C(C#N)=C(N)Oc2cc3oc(-c4ccccc4F)cc(=O)c3c(O)c21 1857556116 DDBNOFYMIHHBCL-UMSFTDKQSA-N 571.564 5.532 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857596099 ZYYSAUJZDKVSSU-INIZCTEOSA-N 513.428 5.526 50 1 KKGF O=C(CCl)Nc1cc(C(=O)Nc2cccnc2Cl)cc(C(F)(F)F)c1Cc1cccc2ccccc12 1857769678 CUOCKXRSZYBTEX-UHFFFAOYSA-N 532.349 6.927 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356350764 JLALTYWRLZASII-ZFANVVOXSA-N 827.116 5.574 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@H]4[C@H]2O)O3)c1O 2356356389 ASQKOBKAUPTOPZ-FIRISYOMSA-N 766.975 7.441 50 1 KKGF CC1(C)CC[C@@]2(C(=O)O[Si](C)(C)C)[C@@H](C1)C1=CC[C@@H]3[C@]4(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]4CC[C@]3(C)[C@]1(C)C[C@H]2O[Si](C)(C)C 2356389617 AQZAOIHQVLJPQD-YFWUVTSASA-N 689.259 11.216 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356395951 YSZWKXRRCFZDNI-NOIPBDAKSA-N 705.333 10.483 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356489913 OLPXHXZFOGUKCQ-FXNULNBJSA-N 918.225 5.847 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356554262 MYRMEXVYTNATGB-LGKIXEERSA-N 877.135 7.107 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Br)CCCC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356730430 FZJXXSXLNFVUGM-VERUZIMGSA-N 563.705 10.182 50 1 KKGF C[C@H]1CSS[C@H]2C=C[C@]34C[C@@H]2C[C@@H]2Cc5cc(cc(O)c5C#CC[C@@H](C[C@@H]23)C[C@@]42C=CC[C@@H](C)C2)Cc2ccccc2CN1 2356768403 NRMLGLTWKIRDSV-FJTVEZIGSA-N 621.956 9.104 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@@]23CC4(CCCC4)C[C@H]2C=CC2=CNCN23)SSC1 2356806240 AFSKUKXMASAGAJ-RPXMPKHJSA-N 700.971 7.736 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](OCCO)CC[C@@H](NC[C@H](C)O)C1 2356819565 FCZKGQDGEVIGJR-FMQSVQDZSA-N 921.280 5.300 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356853065 QVYAMABWJXYQTQ-CKZOWTKKSA-N 910.212 8.016 50 1 KKGF CC(=O)O[C@@H](Cc1c(SSc2[nH]c3ccccc3c2C[C@@H](OC(C)=O)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 27706116 ULJVYCBHZIELSM-TYHGNQNSSA-N 734.900 7.030 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCCCBr)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 28568951 UOZGHCIJZMDPFA-LULZRBEKSA-N 607.714 7.838 50 1 KKGF COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@@H]2CCC(C(C)C)=C[C@@H]2O3)c2ncccc2c1 42891893 OZMCBLMXTZPNTB-GVVIVFGOSA-N 509.691 6.144 50 1 KKGF C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 49889236 DANIQTDCFOIFOT-HEVIKAOCSA-N 598.692 8.532 50 1 KKGF C=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@H](Cl)C(C)(C)O[C@]2(C/C=C(\C)CC[C@H]1Cl)C3=O 83924204 TUASWIIAAPWHMO-YBNXETBWSA-N 513.845 5.836 50 1 KKGF in-vitro C/N=C1\NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOC4CCCC4)C3)c2)N1 85596941 HWFGSQIFWMURID-XQMOGWPYSA-N 781.098 8.020 50 1 KKGF biogenic,in-vitro COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCCC[C@@H]3CCSS3)c(OC)c2)ccc1OC(=O)CCCC[C@H]1CCSS1 95551050 DPVWJNIHOZALNN-YOFONYQQSA-N 745.019 9.198 50 1 KKGF Cc1cc(Br)cc(C(=O)NNCc2cccc(C(F)(F)F)c2)c1NC(=O)CC(C)(C)C 103207298 KFOBNPYHZBPBFS-UHFFFAOYSA-N 500.359 5.586 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](C(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 169358769 BZJKLPFPEWITKC-MQPPLEFUSA-N 513.118 7.644 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O 195515525 IEYIWXBJAVNHQT-KFRGZICISA-N 594.190 5.185 50 1 KKGF FC(F)(F)Oc1ccc(/C=C\c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)cc1 587123627 SFVNYRZQUAUVNM-KTAJNNJTSA-N 715.258 11.030 50 1 KKGF O=C1c2ccc(O)cc2OC(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)[C@@H]1c1ccc(F)cc1 587358385 CWQUYXRVGLXOMY-ANFMRNGASA-N 778.800 9.350 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(Br)c(N)c(Br)c1)CC2=O 587456356 NQVNRFISOKLDQI-LJQANCHMSA-N 548.069 5.708 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 587537156 BENPXIRNBPKVCM-NAKRPHOHSA-N 562.372 6.131 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Br)cc1 587538391 AJJDHGCPTFTKQN-IGKIAQTJSA-N 538.825 6.658 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587687483 GZUIAKMLUJNGTR-DEXQXJORSA-N 571.922 5.810 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[C@]1(CCl)NC2(CC2)Cc2ccc(Br)cc21 961610616 BLKBZNMCOFGTLR-UOMWHXPFSA-N 619.015 5.909 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@@]2(c3ccc(OC)cc3)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962472436 GZRHJADQRIVORB-JDEFCMJQSA-N 733.615 7.249 50 1 KKGF CCCCOc1ccc([C@]2(CBr)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963029091 ATZQCICWVRGZME-YYFXGUOYSA-N 676.554 8.043 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cc(OCc2ccccc2)cc(NC(=O)CCl)c1O 963062843 XRBPOAOZLNZJGK-GDLZYMKVSA-N 518.013 5.115 50 1 KKGF C[C@@H]1C(C=O)=CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963449076 PFXWATZTEDUKHX-SEUPTWJRSA-N 726.871 6.684 50 1 KKGF Cc1ccc([C@@]2(CCCCCCCl)N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)Cc3ccccc32)cc1 963701766 IRRWWXTXUTYKMO-LYVYPOQBSA-N 549.111 5.460 50 1 KKGF O=[N+]([O-])c1cc([C@@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)ccc1Cl 963819407 WUKOSVOZCMPMQF-RUZDIDTESA-N 526.818 6.093 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3ncc(C(F)(F)F)cc3Cl)nc(Cl)nc21 963929754 WVPOCHNBDLLEKS-QHCPKHFHSA-N 616.269 6.535 50 1 KKGF O=C(CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc(-c2ccc(C(=O)C(Cl)Cl)cc2)cc1[N+](=O)[O-] 1857536360 RRXDRKANOFJWSG-UHFFFAOYSA-N 671.537 8.318 50 1 KKGF COc1ccc(/C=C(\C#N)C(=O)OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)cc1 1857555444 AONKYKTZORIGAK-URUXSBGHSA-N 693.881 8.705 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4cccc([N+](=O)[O-])c4)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4cccc([N+](=O)[O-])c4)cc23)cc1 1857646040 LMHWHOMBZPNVCV-UHFFFAOYSA-N 812.894 7.217 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356295487 VYMGPVWESCECHW-UFWJEKHVSA-N 758.063 8.862 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356360629 KGQWOUFHXGIFHH-HTEYKXBASA-N 887.174 9.058 50 1 KKGF C=C(C)[C@H](CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12)OO 2356411500 QRFKWBARTXTCMY-ZRJBSXMRSA-N 500.676 5.498 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356448847 RIIDLMUGVQJJLJ-DXZOJBQASA-N 725.027 6.099 50 1 KKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C=O)C=CC=C(C)CCC=C(C)C 2356559351 HBDGHUUJZALTSD-UHFFFAOYSA-N 550.871 12.117 50 1 KKGF C[C@H]1CSSC[C@@H]2C[C@H]3[C@H](C[C@@]4(CC[C@]5(CC[C@H](CO)C5)C4)C[C@@]34C=CC[C@@H](C)C4)[C@@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)C2 2356585310 LMUGFHQOWDKHKQ-NENOCIOZSA-N 700.111 10.373 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@H](C)[C@@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356608624 RHWGELGQTCGCNJ-HWRYGASLSA-N 612.980 11.189 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356637444 SGXNXTAOWPLVQH-ASVSWXPTSA-N 857.186 5.739 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)C[C@]3(C)O[C@@H]3CC[C@@]2(C)[C@@H](Br)CC1 2356654815 LCHQEOJZPPZCSD-KJWQPKDSSA-N 570.362 6.855 50 1 KKGF CC1(C)Oc2ccc3cc(CBr)c(=O)oc3c2[C@@H](OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 26389477 OSKOMDXPCLXILM-YKBZXPFNSA-N 715.590 5.599 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccc(OC)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802447 ZSNWNHLLFUDZGF-WTXJJSBJSA-N 504.530 5.664 50 1 KKGF O=C(N/N=C/c1ccco1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 58506217 OUWHMFLRIXTTOM-WKULSOCRSA-N 592.247 5.935 50 1 KKGF BrCCCCCCOc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br 84757730 QSZXASUCKDBEBC-UHFFFAOYSA-N 664.852 8.863 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 85594592 OOGNDOYDCCOFDN-GXDSGPCVSA-N 731.937 5.925 50 1 KKGF biogenic,in-vitro COc1cc2c(Oc3ccc(NC(=O)N/N=C/C(C)C)cc3F)ccnc2cc1OCCCN1CCCCC1 96283530 BAZWZDUYPVYDKX-BIZUNTBRSA-N 537.636 6.193 50 1 KKGF C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@@H]4O[C@@]2(C)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 103188930 RPVOJEKMAVTVFM-NITBTIFLSA-N 550.689 5.216 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CO 118932845 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QAIYFDDOMJDDBC-IBGZPJMESA-N 502.869 6.813 50 1 KKGF S=C(Nc1ccc(Br)cc1)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccc(Br)cc1 473161089 ZRVVJFUNIXEJSB-UHFFFAOYSA-N 676.550 9.629 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054194 CWMRMSURSGSYBD-APSNUPSMSA-N 500.311 7.232 50 1 KKGF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587107430 JZMPTQNFGVNBII-OAHLLOKOSA-N 521.455 6.765 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587371370 DETYQOFOOCIDSK-UGEKOUHBSA-N 620.142 7.596 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587685592 AATZTEQKBPHIFI-NRRJATNASA-N 572.866 5.056 50 1 KKGF COc1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2C)c(OC)c1 587929299 MIUFCQZGVJYUFT-UHFFFAOYSA-N 549.359 8.642 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](c2c[nH]c3ccccc23)([C@H](Cl)c2ccccc2)N1 963182437 OXVHZFUIZHHRQK-ZWSUVBHBSA-N 519.350 6.663 50 1 KKGF COc1cc(OC)cc([C@@]2(CBr)c3c(ccc(OC)c3OC)CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c1 963729636 KCHBAFNIEPCIDZ-PMERELPUSA-N 593.474 5.108 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccn2C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857621989 ISKQMPRXCVXJIK-BIUMQQRTSA-N 576.517 5.186 50 1 KKGF Cn1cc(CN(C(=O)CCl)c2cc(C(=O)Nc3cccnc3Cl)cc(C(F)(F)F)c2)c2ccccc21 1857650391 MHTQIEKYICKRKN-UHFFFAOYSA-N 535.353 6.270 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356291883 BUHBBWIQTCVKFX-QVEYIJIPSA-N 673.857 5.831 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)cc(OC)c1O 2356353590 AEMQUFDKHUYILQ-KCPNVJOLSA-N 694.868 6.414 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@@H]2[C@@H]3C=C[C@H](C[C@@H]3[C@@H](CCCCc3oc(CCc4ccc(O)c(OC[C@H](O)c5cc6c([nH]5)[C@H]5C=C[C@@]7(CCC[C@@H]7C5)[C@@H]6CNC[C@H](C)O)c4)cc3CO)C[C@H]2N)[C@H]1C 2356354698 OXCRNVLSMMSYQC-OCGAHGFJSA-N 971.388 8.229 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356357108 GMUFOTUUBLCECS-SCXNXZJZSA-N 759.085 6.340 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C)=CC=CC=C(C)C=CC=C(C=O)CC[C@@H]1C(C)=C[C@@H](O)CC1(C)C 2356375638 FJWGLEVADWWUFR-QOZRZDGHSA-N 584.885 9.806 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@]34C)[C@H](O)CC1=C1CCCCC1 2356426494 BPXQNQJDWXKFHW-UBINAJSHSA-N 739.101 7.704 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356443469 NKDDPTCDRGKJDF-ACMKRMIQSA-N 781.997 7.471 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@H]2CCCC[C@@H]2CNC)Cc2cccc(c2)C1 2356517623 PCGULFQBINMLEC-MGUHNIOHSA-N 968.374 6.889 50 1 KKGF CC1=C[C@H](OC(=O)c2ccccc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@@]2(C)O[C@@H]2CC1 2356601493 XIMCRDWINCBROY-NKYVMLAVSA-N 681.782 7.178 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356604069 RGUMEEDKDBZLDJ-PMQFGYSFSA-N 885.240 6.867 50 1 KKGF CC1(C)[C@@H](O[Si](C)(C)C)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3C[C@@](C)(CO[Si](C)(C)C)CC[C@]3(C(=O)O[Si](C)(C)C)CC[C@]21C 2356651956 JAEMARCYWIQCHR-ZFOFUGHQSA-N 689.259 11.218 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356671909 PBKUIWMXHPVSQG-LWGRNUDOSA-N 845.097 5.443 50 1 KKGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]4CC[C@H]5C[C@@]4(CC[C@@H]12)C[C@@H]5CO)C3 2356770962 MJZVWOZWBJDDFY-JNLUCTALSA-N 606.932 9.127 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@@]12O)C[C@]3(C)O)CCC=C(C)C 2356774495 ZJCXCUZNFKCXMG-OYKSMFAHSA-N 534.737 5.302 50 1 KKGF COc1ccc(-c2nc(SC(F)(F)C(Br)Br)[nH]c2-c2ccc(OC)cc2)cc1 28219592 DKDQQVMEZLFJRI-UHFFFAOYSA-N 534.220 6.562 50 1 KKGF CCCCCCCCOC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(n2)C(=O)C(NC(=O)CCl)=CC3=O)n1 43552932 NXNFZEKUFFUTAJ-UHFFFAOYSA-N 573.049 5.913 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C(=O)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95584177 GZJIPMCINQOOAP-RXOMGBLCSA-N 576.727 5.447 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@@]14[C@H](C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(\C)C=O)C5=O)C3=O)C=CC(C)(C)O2 136083633 ORNMPVMTDJIPQS-CNUNXGSVSA-N 546.660 5.707 50 1 KKGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 150589851 DADDXQFCDGBGQI-OQBISYOISA-N 760.903 9.493 50 1 KKGF COC(=O)c1ccc([C@H]2Nc3ccc(/C(C)=N/NC(=O)[C@@H](OC)c4ccccc4)cc3[C@@H]3C=CC[C@H]23)cc1 169305022 BKAIZLBGUQUUEI-CKHQPHAASA-N 509.606 5.528 50 1 KKGF CO[C@@H]1O[C@@H](/C=C(C)/C=C/C=C(\C)CCC=C(C)C)C[C@]12[C@H](CCCO)/C(=C(\C)C=O)CC[C@]2(C)O 238772359 GGFMZSOFGUQEMN-VGICKLJFSA-N 500.720 6.378 50 1 KKGF C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccncc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)C 263620256 AZJLJLJSOQLYEA-COCJHVOVSA-N 754.973 5.278 50 1 KKGF in-vitro CCN(CC)CCNc1nc(-c2ccc(NC(=O)N/N=C/c3cccc(Cl)c3Cl)cc2)nc2ccsc12 299837046 PCJQGNKVCTWPSG-OKCVXOCRSA-N 556.523 6.574 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057114 UHNBIJMDLTWWFJ-UNOMPAQXSA-N 630.479 8.161 50 1 KKGF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587142308 SZTOCKNYTPLNFF-DJJJIMSYSA-N 557.944 8.142 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCc1ccccc1 587337836 RYFNRIAILILQGG-LYVYPOQBSA-N 578.011 6.545 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1COc2ccccc2O1 587544920 PPQGKPTXOHUNBI-DONBXMGOSA-N 531.992 5.746 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1 587557787 TWXNXPPYPTXUNP-JBFPKKRJSA-N 691.192 7.239 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(S(F)(F)(F)(F)F)cc([N+](=O)[O-])c1O 587894795 ALVWKJDVFMTZHK-UHFFFAOYSA-N 505.248 5.975 50 1 KKGF O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962715126 SPWCDSCPBRBYLV-UKJJDJLKSA-N 528.092 7.527 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)c2ccsc2CCN1Cc1cccnc1 963010375 NHQWMPXQKNUSSQ-RBBKRZOGSA-N 536.289 5.446 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CBr)(c2cccc(OC(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963029441 CQEXCEMNUCGPCI-ZORMNXRFSA-N 670.453 7.465 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963168104 FXAGOSUFQLAJPZ-PSUQPPDWSA-N 612.826 5.865 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1C 1772576059 RTQORFWEKWJBCY-QHCPKHFHSA-N 512.450 5.980 50 1 KKGF C=CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 1857624052 BDKQSXIIYZQXSP-IXNRCNHTSA-N 604.860 7.692 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(CSSC[C@@H]7CCCC[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@@]7(O)C3=CC6=O)[C@@]54C 2356365609 OSOJDQFSDGFHKG-IGHCUBSQSA-N 874.219 7.555 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356366768 PZSYRLFABHLUHX-WNFIEDLNSA-N 799.106 5.680 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NC1CCCCC1)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 2356519700 MOQQOAHWYLYLLP-JCXLGNAGSA-N 805.072 8.146 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCCBr)CCCC[C@@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356624539 GMONSDQGAGUQRU-HLKSFTNFSA-N 749.784 10.639 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356776613 WCEQYINLAOXKLZ-GCSXXBKUSA-N 885.240 7.213 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@@H](C2(n3ccnc3)CCCC2)SSC1 2356814691 CKMFDVXSSYEDOU-PDXWSVEKSA-N 622.857 5.919 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C2CCCCC2)CSSCNC2=CC(=CCN2)C1 2356825462 HSLLZIKPJWDFAK-PLTAZNGCSA-N 646.919 7.987 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356866868 WIDHAVZVUUXTTA-VSWLQFCSSA-N 597.887 6.122 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@@H]4c4cccs4)n3)cc2)ccc1Cl 5579477 UMKKROJMEXWXGO-RTWAWAEBSA-N 566.513 6.030 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1)[C@H](CCc1ccccc1)NC(=O)c1ccccc1 14113377 AZTARPFJXYNPTC-AQOUDTPCSA-N 632.801 6.971 50 1 KKGF COc1ccccc1CNCCCCCNCCSSCCNCCCCCNCc1ccccc1OC 29484976 TWSIAXJVRHYOTK-UHFFFAOYSA-N 562.890 5.484 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CCCCC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)Nc3ccccc3)[C@@]12C 49786130 YZJDLVZMDSEIBO-FBHKPQKASA-N 637.858 8.509 50 1 KKGF CC(=O)Oc1ccc(/C=C/C(=O)N(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)cc1OC(C)=O 72178123 BCMGAMLNVAXETN-JGWDBCNNSA-N 648.343 8.627 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)c1O 85567676 MYEYQYFZQQAUKG-YZDWKJSRSA-N 754.964 7.514 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@H]3[C@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 85594601 YZIPDHDRTCJNLB-PDVGOICYSA-N 727.949 7.313 50 1 KKGF biogenic,in-vitro CC(C)(C)N(NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1Cl)C(=O)Nc1ccc(Cl)cc1 95563852 YNUZDMHVPYKNPQ-UHFFFAOYSA-N 514.335 6.175 50 1 KKGF Clc1ccc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)cc1Cl 96272502 RTPCKRIWAHHMNW-SFHVURJKSA-N 511.638 6.488 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCBr)CC[C@H]1C 103198601 XAAOYRNWNNHPAT-QHQGJMPNSA-N 549.634 7.901 50 1 KKGF CO[C@H]1/C=C\C=C(\C)C(=O)Nc2cc(O)c(NC(=O)c3ccc(CCl)cc3)c(c2O)/C=C(\C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 169718287 UHSFRLRTFMXNHT-OMLLMSLDSA-N 698.213 5.774 50 1 KKGF C[C@@H](CC(=O)N(C)[C@H](C[C@@H](C)C(Cl)Cl)C(=O)N1CCC[C@H]1c1nccs1)C(Cl)Cl 238760314 SYGJZULBETXLGR-ZOBORPQBSA-N 503.323 5.293 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299810339 SMTKDYGXTCYGPV-WUXTUUAUSA-N 957.332 7.746 50 1 KKGF Cc1cc(C(=O)OCC(C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc(Cl)n1 299837018 OCAPNDXVOLWTBX-GOUXMTILSA-N 760.365 8.098 50 1 KKGF CCN1C(=O)C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]1c1ccccc1Cl 587062158 UVERECPUKMYOAF-XIKOKIGWSA-N 544.771 7.713 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 587321100 IFBLAGKIIKKAEK-LADGPHEKSA-N 534.219 6.560 50 1 KKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328006 AEXJJTMBFGLBET-PQNGQFLHSA-N 507.758 6.448 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538025 MHEXPIYLGLICEV-ZBLIIJPGSA-N 581.547 6.870 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(C(Br)Br)C(F)(F)C(F)(F)F 587545138 GLFRBVMGLNRXHY-ABAIWWIYSA-N 532.053 5.406 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 587733252 LBOVYUQONQFQDY-IRLTUAEKSA-N 618.129 7.544 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccccc1-c1ccccc1CBr 587874687 FUCTXSYYTARARF-UHFFFAOYSA-N 501.251 6.460 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c2C)cc1OC 963200065 XNSWOVMQJQFVAZ-JIPXPUAJSA-N 585.450 6.118 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2ccc(Cl)c(Br)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963362764 ABNJMNBDRKHLFX-DITALETJSA-N 711.834 7.795 50 1 KKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)c1cc(C)n(-c2ccccc2Br)c1C 963632764 GYMKXXWQAZRNPJ-SGANQWHYSA-N 503.868 5.890 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc(I)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963728156 GIUGALWAEGPPHX-NDEPHWFRSA-N 659.318 5.696 50 1 KKGF C=CCC[C@]1(CBr)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963796338 OJMQXBHQHBNOLC-SANMLTNESA-N 511.416 5.009 50 1 KKGF Cc1cccc2c1[C@@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963853920 JSGTXOCEEPYWHC-AYWVHJORSA-N 591.070 7.540 50 1 KKGF COc1cc2nccc(Oc3ccc(NC(=O)N/N=C/c4cn(-c5cccc(Cl)c5)nn4)cc3)c2cc1OC 1857547750 BQZNFVIUNUBULH-FJEPWZHXSA-N 543.971 5.434 50 1 KKGF CC(=O)OC[C@@]1(C(=O)OCCBr)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@]32C)C1=O 1857644368 OBUDHYWHUUCGIO-DKQHQUBKSA-N 611.614 6.044 50 1 KKGF Cc1c(C(=O)N/N=C/c2c(-c3ccc(Cl)cc3)n[nH]c2Oc2ccc(Cl)cc2)nnn1-c1ccc([N+](=O)[O-])cc1 1857771958 TWXXNTBCPCZNKV-IPPBACCNSA-N 577.388 5.737 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](c2cccc(O)c2)SSC1 2356314195 RBJJJRITONONPT-ADSBAMQRSA-N 578.756 6.507 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C1)[C@H]2CCC(C)C 2356349718 MLBULSUSYUHRNW-KQKVRTMUSA-N 761.108 7.462 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCC[C@@H]6C=C[C@@H]7CC[C@@H]8C[C@H]3[C@H](O)[C@H]4C8=C7[C@H]56)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356359043 BTNBNAHHKFNTLU-GWOUCPMZSA-N 928.319 6.961 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCN[C]3C=C(C=CN3)[C@H]2CCCO)CCCC1 2356412651 WYPGANCBNHGTBV-QEWFTFKBSA-N 705.963 7.076 50 1 KKGF CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)[C@H](Cl)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)=C[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@H](C)[C@H](O)C(=O)[C@H](C)[C@H](C)C=C[C@@H](O)[C@H]2O 2356536407 JZUTVBHNLVBSJC-LMBAFLPFSA-N 957.724 7.452 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356649529 PITMLTOLQYTZKC-BIJYVQJMSA-N 913.172 5.789 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H](C=O)[C@H]1C=O 2356661400 ZPTFIUNZKGDSAP-SKOOTVHXSA-N 590.889 8.887 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356665071 SDDVVKHKNHLYNS-YKCFGJEMSA-N 947.405 11.432 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@@H]1C)N43 2356834831 KEZPOUNBQQNOIQ-IFXDGBOKSA-N 623.881 6.868 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4C=CN=C4C3)[nH]c(=N)c1CSSCC[C@@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@@H]1OC2=O 2356853954 RLAZISXZIXSAQW-MZGIQFMXSA-N 823.998 5.197 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356856281 RZJAKKCBCURJHR-VIPFRKSPSA-N 845.005 6.122 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H]([C@]23CC4(CCCC4)C[C@@H]2C=Cc2cncn23)SSC1 2356856764 SDGSVVPDTBAHAE-YNCLSYJRSA-N 727.009 8.047 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSS[C@H]2C=CC3=C(NCC=C3C1)N2 2356869065 XHPHBKRZTOJXHO-GVDNSKMFSA-N 602.822 6.735 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SS[C@H]3C=CC4=C(NCC=C4[C@@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356876075 ZUXXBSHODFMEBI-BWZMYNISSA-N 908.196 7.934 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCCCCCCCCNC(=O)c1c(O)c2ccccc2oc1=O 43063291 BATRMUVBCNROFZ-IBGZPJMESA-N 520.717 5.399 50 1 KKGF CC1(C)CC2=NC(SSC3=C(C#N)[C@H](c4ccc(F)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@@H](c3ccc(F)cc3)C2=C(O)C1 49734131 BPNOEXMBIDXKFT-RNPORBBMSA-N 654.808 9.857 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)OCc1ccc2ccccc2c1)OCc1ccccc1 84618785 NCISJBWLFTVHAQ-LJAQVGFWSA-N 574.768 7.964 50 1 KKGF N#CC1=C(N)N(c2ccc(F)c(F)c2)C2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96908487 HWLOSZCDCFTQTP-GDLZYMKVSA-N 545.549 6.482 50 1 KKGF N#CC1=C(NC(=S)Nc2ccc(Cl)cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 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CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@H](O)[C@H]1O 2356774485 ZAZMBIUDLHJPDU-WMJMAUSESA-N 874.219 7.555 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@H]43)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356832119 HZAKLJZSHCLBIK-SZSBYHTJSA-N 836.133 8.697 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(N3C=CNC3)CCCCC2)SSC1 2356836926 LFBVODAXMMQZDU-UDNBHOFDSA-N 636.884 6.790 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@@H](N)c5ccc6c(c52)CC2=C5CN(C=C5N=C2)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)CC1 2356844645 NXNBSRDHXAWEPF-MDDYZBTFSA-N 829.101 7.147 50 1 KKGF C[C@H](CCC(=O)N/N=C/c1ccc(Cl)cc1)[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 53146572 MKGQNBGMZNDNOK-PETHVLMXSA-N 545.164 5.168 50 1 KKGF COc1cc2cc(c1O)CN1C(=O)C[C@@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)[C@@H]1CCC(C)C 85627393 URYWOUVWSYLOCO-SFGWMHHMSA-N 680.978 5.767 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(Cc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5[nH]c(C(F)(F)F)c(C(=O)OC)c65)cc4c3)ccc2[nH]1 150579076 LSKVQPRSUHTGLS-DHIUTWEWSA-N 995.717 10.190 50 1 KKGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 150612673 BXPUGHBOILFUQH-XSZICUCJSA-N 696.605 6.871 50 1 KKGF CC(C)(C)[Si](C)(C)OCC#C[C@@]1(O)CCCC[C@@H]1CC(Sc1ccccc1)Sc1ccccc1 195503088 IXWHTVRXCNXBDR-GIGWZHCTSA-N 512.857 8.234 50 1 KKGF COc1ccc(COCC[C@H](C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 195516983 KEMFXFONLNFIMG-FYFYKQBVSA-N 819.990 7.761 50 1 KKGF O=C(Cc1cc(Br)cc(Br)c1OCCCN=C=S)Nc1ccccc1[N+](=O)[O-] 299864438 RFJQDRPZHFAPBY-UHFFFAOYSA-N 529.210 5.173 50 1 KKGF O=C(Nc1ccccc1)Nc1nc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1 587018867 BNPJOWNVEIUBSX-UHFFFAOYSA-N 554.364 7.674 50 1 KKGF COC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587057569 VKWKKXSSBDCZIS-PXNMLYILSA-N 544.236 6.891 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)O2 587415352 RJSPVGXBRKIQBS-NMEJYPJZSA-N 551.152 7.147 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)CC2=O 587455354 AWKBKVGQZPBNNE-VWLOTQADSA-N 520.250 7.455 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(Cl)ccc(Br)c1F)CC2=O 587468348 WLIIFZFKHYVGRI-IBGZPJMESA-N 506.593 6.155 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542531 HJBNWNCISRXUAH-ZXVLSZCLSA-N 525.944 5.408 50 1 KKGF COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587683450 HDPKSLKYSQNVBL-YVORESIASA-N 557.847 5.491 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@@H](C)[C@](OC(=O)c5ccco5)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23Cl)N1 587691077 BREUTBXLNPCBEQ-IVWNMHTOSA-N 735.518 7.631 50 1 KKGF COc1ccc(Cl)cc1C#CCc1cc(OCC[C@@H](C)CCCC(C)C)c(CBr)cc1OCC[C@@H](C)CCCC(C)C 587899104 ZORDQXUUUSUAFK-KYJUHHDHSA-N 662.193 11.300 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CBr)(C2CCCCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962564409 AIOQDSVCWOVBCY-DLFZDVPBSA-N 575.503 6.513 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229346 VCMHKQQAESUWHA-MPNOLKOXSA-N 745.144 8.174 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](c2ccc(OC)cc2)([C@H](C)Cl)N1C(C)=O 963300756 IJWACPSXDGUYGW-CFEWAINGSA-N 752.242 5.369 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OCCC(C)C)c1O 2356349556 HORAHEVKKPFNCK-YUAYGJHLSA-N 696.928 7.989 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356356433 BGRQVEMXMUXFCH-HEFYRRFMSA-N 983.303 9.468 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356356554 LIYNRKCILWEWFK-RZGLXRBLSA-N 886.227 7.698 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@H](CSS[C@H]3C=C[C@H]12)C4 2356369750 HVPQVVHCBIQMRP-JLCDOHLUSA-N 705.895 7.328 50 1 KKGF CCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@@H]1[C@H](OC)C=C(COC(C)=O)[C@@H]2CC(C)(C)[C@]2(O)[C@H](O)C[C@]1(C)OOC3=O 2356555064 HOCDVFMNFJTYFE-HHOZMVCASA-N 630.775 5.177 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356671390 XTYNQBOCOYPOLQ-PPLCWLDESA-N 801.044 5.834 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356686652 NVBDOYCAADZAEN-DWROZRCISA-N 855.214 7.158 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356742846 GFVVQXKYOUSWEY-JBCQRKEBSA-N 799.106 5.824 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C2CCCC2)Cc2cccc(c2)C1 2356747985 KTJDIHVSYFNWSZ-PBFNJZGUSA-N 769.080 6.054 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356841071 NEIOCSZNRUEUOC-WZNIIZDESA-N 872.075 6.393 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356861030 CZHATUBGFHUMKJ-NKDADSBCSA-N 743.972 5.687 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)CSSC[C@H]1C1=CCN=C1 2356861898 UUVUHJSOZYVDPS-KUVYTWDVSA-N 505.702 5.594 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@H]([C@H](C)Cc4ccccc4)C#C[C@@H]3C=C12 2356861995 UVVBSFOHJYQLDR-SAKUAWMPSA-N 894.257 7.804 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](O)C3CCCCC3)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356871831 YLONWOHQZSVYDR-UPGPJSNRSA-N 951.309 9.165 50 1 KKGF O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2cccc(Br)c2)o1 103185596 JAGFYKJQSKNKIK-FGZHOGPDSA-N 573.230 5.991 50 1 KKGF O=C[C@H]1CC2(CCCC2)C[C@@]12CC[C@]1(C[C@@]3(O)[C@@H](O)[C@H](Oc4cccc5c4C(=O)[C@]4(CSSCNc6cc1ccn6)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]4C5=O)O[C@H](CO)[C@H]3O)C2 150344696 NUEAQUXIUHVQIT-CVXDXTOCSA-N 925.135 6.161 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@@H](C(C)C)CSSC[C@H]5[C@H](C3)[C@@H](O)O4)CCCC13CCCC3)CC[C@@H](O)CC(=O)CC2 150348362 WFILRGLFQMGLLF-STLPFCIASA-N 871.179 6.188 50 1 KKGF biogenic,in-vitro CCCCCCCC[C@H](Cl)[C@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 169371288 ACRMTHSZHIGDGF-HHPYOCSASA-N 655.380 9.155 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cccc(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055185 KPTOJBCLAHQJTQ-LDADJPATSA-N 612.414 8.752 50 1 KKGF O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c-2cc1F 587171724 ASTHOIMWEJHBBP-UHFFFAOYSA-N 885.660 11.416 50 1 KKGF O=C(NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCOCC1)OCC1c2ccccc2-c2ccccc21 587237679 LKOKDSLGKPKIMV-UHFFFAOYSA-N 644.460 8.527 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)(F)F)cc2)[C@H]1c1ccc(F)cc1 587333069 UYCGQTBBULPWJR-RBBKRZOGSA-N 511.265 6.079 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2=O 587457969 OVSPZWSGTAPWEH-VWLOTQADSA-N 502.836 6.614 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[C@@]1(CCl)NC2(CC2)Cc2ccc(Br)cc21 961610628 BLKBZNMCOFGTLR-ZYELYMDESA-N 619.015 5.909 50 1 KKGF Cc1c(F)ccc2c1[C@@](CBr)(c1cc(F)c(I)cc1Br)NCC2 962381765 ZWUXHVQMPOGNEM-QGZVFWFLSA-N 557.014 5.425 50 1 KKGF CC(=O)NCCc1ccc([C@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962476111 QWMZASYKEGNYFP-CYEXUTLASA-N 610.110 5.503 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CCl)(c2ncc(Cl)cc2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 962478471 VRPHRYIVPSYJRW-RNAHPLFWSA-N 639.333 6.635 50 1 KKGF CC(C)(C)[C@]1(/C(C#N)=C/Nc2nc(-c3ccccc3)cs2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962636853 JXTPSLJCBQJAAK-JTJNTTGBSA-N 537.689 6.218 50 1 KKGF O=C(c1ccc(Cl)c(Cl)c1)[C@H](Cl)[C@@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962648792 YJWFDTXCLIZZTP-AVCZWDQHSA-N 630.830 8.781 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1cc(C)n(-c3cc(F)ccc3F)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962669264 PNRDSSSQIZYOPZ-WJOKGBTCSA-N 619.030 7.589 50 1 KKGF Cc1cccc2c1[C@@](/C(C#N)=C\c1ccccc1[N+](=O)[O-])(C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963852261 BZMDUGPOUPEWSK-TUITXYJESA-N 533.625 6.388 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3C[C@H]4C(C=O)=C([C@H](C)CC/C=C(/C)C(=O)O)CC[C@@]4(C)C3=CC[C@H]2C1(C)C 1772581066 GNFUVJAQZVPINJ-OUGYKOSNSA-N 510.715 7.070 50 1 KKGF CCOC(=O)c1c(CC)c2ccc(OCCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2oc1=O 1857747792 KSVHFAFHHVKYSM-KDIFQFJVSA-N 586.678 5.526 50 1 KKGF Cc1ccc2[nH]c3c(c2c1)CC[C@@]1([C@H]2c4ccccc4-c4nc5cc(C)c(C)cc5nc42)NC(=O)C(C#N)=C31 1857754205 UWEUPRPYHLOPKF-CMVGPNDKSA-N 507.597 5.941 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@H]2NC(=N)N[C@H]1CCCc2ccc3cocc3c2C1 2356356696 CRLGRWOARSOLAO-VXNGIUBXSA-N 887.314 9.053 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356366058 YSRSDEHLBILRDM-GQOIXJJZSA-N 887.266 9.833 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NC1CCCCC1)c1cccc(CO)c1)CC(=O)CC2 2356373984 LOAFKNPDUCEWBR-FJOUAFLFSA-N 715.978 9.382 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)OC[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 2356738020 RLHVXUAPDBHMFB-VIUCBDPOSA-N 779.082 6.153 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C4C[C@H](CCc5ccc(OC)cc5)[C@@H](CN[C@H]5CC[C@H](C)CCC[C@H](O)[C@@](O1)([C@H]4SSC5)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@@H]4[C@@]3(O)[C@@H]1O)O2 2356777816 DRHRVTYFLUUQGF-YWGTYOSZSA-N 978.236 5.803 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@@H](Cc2ccccc2)SSC1 2356831394 JORSCINVPDIYHR-ODGWOJJESA-N 604.838 6.701 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CN[C@@H](O)[C@@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356849098 PSTJAZASTBICMV-HCDKHLLLSA-N 948.085 5.849 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccncc3)c3ccccc3n2C)c(C(=O)Nc2ccncc2)c2ccccc21 27715171 GNJOCRJRIWUHFS-UHFFFAOYSA-N 564.696 6.764 50 1 KKGF C/C(=N\NC(=O)c1cc(-c2ccc(Cl)cc2)nn1Cc1ccc(C(C)(C)C)cc1)c1cc(Cl)cc(Cl)c1O 44406485 WHAGJISOUFQFNY-ATZGPIRCSA-N 569.920 7.716 50 1 KKGF Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3cccc(S(=O)(=O)c4cccc(N)c4)c3)c2)c1 95612194 LQIWMQVNTWPGBQ-UHFFFAOYSA-N 766.948 7.821 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 150347681 XCORWOQIWRVUOY-BSWMXMHYSA-N 971.292 8.982 50 1 KKGF biogenic,in-vitro C=C(C)[C@H]1CC[C@@](C)(I)[C@H]2CC[C@@](C)(O2)[C@@H](I)CC/C(COC(C)=O)=C\[C@@H]1O 169296654 DLFLAORLIMMSNP-IJBORIPKSA-N 616.318 5.538 50 1 KKGF CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195440500 HXLGQAPKHOFTRM-VBHAUSMQSA-N 716.945 6.413 50 1 KKGF Cc1ccnc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 587190814 RSYOWLLPTVTBOF-MUWRROSCSA-N 576.782 6.298 50 1 KKGF Cn1cc([C@@]2(c3ccccc3F)CC(=O)c3ccc4c(c3O2)CCCC4)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587504022 DSBNVZGJGUEHJP-FOLWKQHFSA-N 570.586 8.035 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@@]1(C)CBr 587672204 DZYWQNXAUZOMRQ-LNUAOTPNSA-N 524.110 5.912 50 1 KKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587687948 JBUOCRZLWCSKJP-LCNHYTBDSA-N 511.866 7.390 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)c4[nH]c5ccccc5c4C[C@H](C(=O)O)N3C(=O)c3ccc(Cl)cc3)c2C)cc1 963010776 HJXDUYYFRJWFPH-KAODMTDESA-N 616.545 7.262 50 1 KKGF Cc1cc(C)c(C)c([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c1C 963063253 CSPQUAGZDXOSFU-FOUYOVOOSA-N 541.088 5.881 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2OC(CO)=C[C@]32c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 963083572 CVLVJEDDFBAJDW-RUSQAUJYSA-N 715.806 6.820 50 1 KKGF O=C(NNc1ccccc1)c1cc([C@@]2(c3ccc(Cl)cc3)NCCc3c(Cl)cc(Cl)cc32)c[nH]1 963126310 XCZLOVWBAQPBMA-AREMUKBSSA-N 511.840 6.169 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2ccc(SC)c(NC(C)=O)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963929749 WVBONRCKGHXBLX-WHHUUDKESA-N 717.379 5.986 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCC(=O)O)(C(C#N)=C2N(C)c3ccccc3N2C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946076 AYSJALCRCKKUCQ-PWJRYZRNSA-N 744.940 5.205 50 1 KKGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 1772601057 FSGMWEDHXAJYNT-BHGWPJFGSA-N 504.424 6.091 50 1 KKGF Cc1[nH]nc2c1[C@](c1cc(-c3cccc(CCC(=O)O)c3)cc(C(F)(F)F)c1)(C(C)C)C(C#N)=C(N)O2 1772652497 ULXPNGMLUPLOIA-SANMLTNESA-N 510.516 5.450 50 1 KKGF COc1ccc(NC[C@]23CC[C@H]4[C@@](C)(CC[C@@H](OC(C)=O)[C@@]4(C)CO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)[C@@H]2C[C@@H](C2=CCOC2=O)O3)cc1OC 1857639828 ZVJWKDFKRBZXKU-XDPYEUOCSA-N 782.063 7.468 50 1 KKGF C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356292147 MGODVHWOIFEIAW-KLYOIYRTSA-N 934.281 11.455 50 1 KKGF CC(C)(O)C=CC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 2356328900 LNPHICKKKGHENP-KWMYZGSYSA-N 587.636 5.989 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@]21O 2356364490 VGYVCBIZWZDRHT-QSEKWGPSSA-N 906.357 8.754 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356375664 HXDBAEKDDTZJNV-FLLMQDKXSA-N 825.235 8.625 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)CSSCNc7cc(ccn7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356448490 FLURTCNJMRRJII-LUGLUTTMSA-N 656.914 8.686 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356655970 DAVJUNNYDKQWTJ-JZIMBOBNSA-N 727.043 6.609 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1O 2356692810 LOIXDLJXZACZEY-PCMOUXJMSA-N 765.643 11.315 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356741263 YIGFHTWWEFEFBG-OTWKBFOFSA-N 847.237 9.652 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3c4c2ccc(O)c4OC[C@@H]3CCO)CCNCC1)[C@@H]1CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 2356779971 ZKMOOGNKSHBLJS-OQDBGTHXSA-N 960.354 7.265 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@@H](O)[C@@H]3C[C@@H]1CC[C@H](C3)C2 2356823872 GPRGZRZKDVPHSP-AILSAUTJSA-N 828.154 6.335 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1C1=CCN=C1 2356829759 JBRSDHOHTQLFBM-XUZKAWFPSA-N 801.960 5.365 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 2356856769 SDHLFLNRHRJLKH-ZNFAGRBUSA-N 861.099 5.823 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Br)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl 29570022 HFOAOOZWWATFPH-OFWIHYRESA-N 736.100 5.091 50 1 KKGF C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCC2)OO1 44351508 AFWWUKGJKAHHFG-CONSDPRKSA-N 564.675 6.796 50 1 KKGF COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 49761815 XXHOXUFSYKVOQG-ORBVJSQLSA-N 517.722 6.577 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1Cl 72177299 QEWREQPTTLITDK-CYYJNZCTSA-N 528.230 7.174 50 1 KKGF CO[C@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@]23[C@@H]2C[C@H]1C(=O)[C@@]3(C/C=C(\C)C=O)OC2(C)C)OC(C)(C)C=C4 95912451 PSPHEZYRWQNMDW-YXGUUHIUSA-N 576.686 5.332 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5cccc(Cl)c5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916425 RZKCEBBWPCLQDU-POZDTYNISA-N 519.085 6.533 50 1 KKGF C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@H]3CCSS3)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 96927611 HKAKAXHKANWDLP-DTFHNPRMSA-N 520.757 6.033 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2Cl)c1 103195478 DDJSGYAGMYMQTJ-XZOQPEGZSA-N 587.257 6.299 50 1 KKGF C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@@H]6[C@@H]7C[C@@]5(CC[C@]34C)OO[C@@H]7CC(=O)OC6(C)C)O2)OC1=O 169640259 AVQUXXDBAIYVRE-QGVQWTMMSA-N 516.675 5.344 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C(=O)CCCC(=O)OCc2ccccc2)c1=O 195375126 NUFXSSBHCBAEGQ-MUEXXOEDSA-N 794.085 5.081 50 1 KKGF CSC(=S)O[C@H]1C[C@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195506615 KRWSBTMVAZGCMH-IPMKNSEASA-N 559.790 5.421 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586953309 RXAXYIFHBDLXIH-KRWDZBQOSA-N 635.475 6.836 50 1 KKGF COC(C)(C)[C@@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586971595 UDEFACNLEBYDSM-QHCPKHFHSA-N 537.366 5.706 50 1 KKGF FC(F)(F)c1cc(Oc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc(C(F)(F)F)c1 587110167 OLTFASWIDWNMJL-UHFFFAOYSA-N 627.273 10.480 50 1 KKGF N[C@@H](CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270878 SPPQWYGBMIEAPO-ZDUSSCGKSA-N 544.300 5.790 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322269 GVFSCZNNWBWCLR-MOEKTUBNSA-N 541.962 5.944 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CBr)[C@@H](C2)C3=O 587412537 ISROWFRBDQTPFB-UQBPGWFLSA-N 512.787 5.373 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 587682812 DRXVLXZUFYQJFN-CANCMXDXSA-N 513.794 5.136 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(NC3(CC3)Cc3ccc(Br)cc32)[C@H](Br)C1 961615531 PDBAZDJHAWPGFF-CEQIKUNHSA-N 500.275 5.163 50 1 KKGF COc1ccc2c(c1)OC=C(C=O)[C@]21c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962676196 KMECGBPALGGEOH-MUUNZHRXSA-N 539.506 5.149 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(OC(F)F)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679865 UCWDBWSETVQPFN-AREMUKBSSA-N 600.378 6.661 50 1 KKGF O=C(CI)Nc1ccc(C(=O)O)c(C2=C3C=C[C@@]4(C=C3Oc3cc(O)ccc32)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc24)c1 962952537 HTULZHOONNUERX-UMSFTDKQSA-N 756.515 6.678 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CBr)c3cccc(Br)n3)c(O)c2C(=O)O1 962965860 IOSSPJVPQNCISA-ZZFGVXKJSA-N 664.734 5.095 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]12[C@H]1[C@H]3C(=O)[C@H](Br)[C@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br 962983182 CCLMLPZLDXDEGA-FNYZPYNISA-N 677.817 5.448 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(c2c(-c3cccc(Cl)c3)[nH]c3ccccc23)N1C(C)=O 963300632 FZCFQEPZAZAUGV-KVZRGUCQSA-N 857.769 7.774 50 1 KKGF CC(C)(CCC[C@@]1(C)O[C@@H]2C[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]3(C)CC[C@H]1[C@@H]23)OC(=O)CCl 1772614814 RVRZZLUMPMBCTH-BVLXKVINSA-N 613.707 8.320 50 1 KKGF C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356299624 GFIVDFQIOVMQEW-AEFPIFTQSA-N 950.280 10.425 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3ccc(O)cc3)=C3CC[C@](C)(O)[C@]2([C@H]1O)[C@@H]3CCCO)CCC=C(C)C 2356351797 GEILXPDUBWISAU-NSVLNJMPSA-N 682.989 7.280 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356353032 GRBFQPDVOIVRLW-IVEJJPMLSA-N 901.150 7.109 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356353181 JOWRNSPRQGHFFE-CINURHAGSA-N 871.213 6.477 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@@](CNC)(C[C@@H]2C[C@@H](O)OC)O3)C12CCCC2 2356357983 WHVXIKJOUVILHP-DFEYTKBASA-N 945.302 9.180 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)cc(OC)c1O 2356373432 AFKANJMTEOXQHA-NUGQVKSXSA-N 636.832 7.598 50 1 KKGF CNCCCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356390090 PXEOIAVBWGUUPB-VPNIVKADSA-N 889.197 8.156 50 1 KKGF CC1=CC[C@H](Br)[C@]2(C)CC[C@H](Br)[C@@]3(C)CC[C@@H](OC(=O)c4ccc(O)c(c4)C[C@H]12)C(C)(C)O3 2356474080 BVFIVKIJYQDATJ-YOTWSEIZSA-N 584.389 7.101 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@@H](C1CCCC1)[C@]52CC4=O)CCNC(=N)N3 2356481282 KJYMLMHGIXSSJO-VEEQJOGISA-N 517.805 5.299 50 1 KKGF COC[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@@H]3C1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC5 2356528291 SQQXCOREYNSZEB-SRQIJMJGSA-N 945.258 5.836 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@]4(C)C[C@H](Cl)[C@](O)(C(C)(C)O)O4)CC[C@@]23C)C1(C)C 2356588077 HVGFSQLIBCTJOV-CFNYQADISA-N 553.224 6.849 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356646220 UPYDYPAWWZYDLK-BGECLKQRSA-N 841.011 6.092 50 1 KKGF CC1(C)O[C@@]2(CC[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CI 2356687505 RWFLLQUFBKGYBI-GWVHRLFSSA-N 513.504 6.188 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C(=C6CCCC7(CCCC7)C6)C[C@H](O)[C@@H]5C)[C@@]4(O)C3=CC(=O)[C@H]12 2356767993 JYUHPIYEMXDHCN-VKXKQRROSA-N 810.224 7.930 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3CCC(CC3)[C@@H](CC1)[C@@H](O)C2 2356779469 SKPGJXQIZQITBK-VGASMBRSSA-N 991.418 11.431 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C=C(NCSS[C@H](CCCO)[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@@]6(CO)CC[C@H]([C@@]41C2)[C@@](O)([C@@H]5O)[C@H]6O)NC3 2356850455 PQDPJTXFXVUFGZ-KVPMPODPSA-N 983.215 5.114 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)CC5=CN[C](N)C=C5[C@@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]43 2356865103 FJSBGUVFNGCHTL-ZSEHLCLFSA-N 670.833 5.093 50 1 KKGF CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=CC(C#N)=CN21 2377414 BAHWTZLXOWHIGV-RJGXRXQPSA-N 515.407 5.244 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@]4(Br)CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 26271253 RMQXJLCPVCCLRY-LSOVEPOESA-N 544.456 8.568 50 1 KKGF CCOP(=O)(/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@](=O)(F)OCC)cc(OC)c2O)c1)OCC 42889257 OQJUWUSWPVUFKJ-BAGAZNANSA-N 544.449 7.189 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCOCC2)C(CSc2ccccc2)=N1 43799870 VZJPFHOXAKXIFM-YNIWUXQGSA-N 543.611 5.952 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc(Cl)cc34)cc2)N1c1ccc(Cl)cc1 45299183 GEHKJLPJNDYFAG-ZEQRLZLVSA-N 500.765 6.374 50 1 KKGF C[C@H](Br)c1cc(=O)c2c(CBr)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 95540099 YVWHZDLWZHYUSI-ZVJODXPCSA-N 822.540 7.055 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96907828 WYWIGVMFFRGSLT-SSEXGKCCSA-N 640.065 8.512 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(C(F)(F)F)cc1 103950321 ILRPEDBLGIDCDY-GOSISDBHSA-N 574.365 5.945 50 1 KKGF CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 150347314 JSSZVIFQCKYAGS-HVPUSBODSA-N 953.322 8.669 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(COC(=O)c3ccncc3)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169365229 QPNLRZTXRIDAFS-GOWRBHIGSA-N 711.893 7.136 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 195435950 STKQOZCFBTUBKZ-ZWYLOOCHSA-N 630.898 6.118 50 1 KKGF COC(=O)CCCC#C[C@@H](Br)[C@H](O)CCCC/C=C(Br)/C=C\Br 198356470 AYDCADNHQBXBAP-MRLFFOJSSA-N 515.080 5.205 50 1 KKGF O=C(NNC(=O)c1c(F)c(F)c(F)c(F)c1F)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828806 WWCDZAMSZJIHSW-UHFFFAOYSA-N 515.482 5.473 50 1 KKGF COc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 586957313 XZGVAGGGAYCRTD-UHFFFAOYSA-N 592.406 5.603 50 1 KKGF CCOc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1OC(F)F 587129628 FDDXJHOOZXPQMU-GQCTYLIASA-N 535.279 8.153 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3C1=N2 587337715 OMFNJAONAJYQJD-CYEXUTLASA-N 571.608 6.936 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3C1=N2 587506157 NWTCWPOUTKGBRJ-MGBGTMOVSA-N 515.613 6.577 50 1 KKGF COc1cccc([C@@H]2C[C@H](NC(=O)CCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 621485658 DTIDLJDGDQHWNR-UXHICEINSA-N 586.607 5.155 50 1 KKGF O=C(c1ccccc1Cl)[C@@H](Cl)[C@@]1(c2ccccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962669314 PVGWSYSBVIQJPW-FQLXRVMXSA-N 506.860 7.540 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@]1(/C(=C(\C)NNC(=O)Cc3ccccc3)C(=O)c3ccccc31)N2C(=O)OC(C)(C)C 962711598 PULUZZSUONAANW-USDGXXIBSA-N 625.697 5.054 50 1 KKGF CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(N1)c1ccccc1[C@@]21NCCc2c(Cl)cc(Cl)cc21 963104157 HEOHVPFWCFRVGX-WNJJXGMVSA-N 514.412 6.021 50 1 KKGF CC#C[C@]1([C@@H](C)O[Si](C)(C)C(C)(C)C)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963105057 UYYIXPVBOWSFMX-ODQBIFSKSA-N 615.890 8.619 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1 963159754 RKFBYGJZWMNYGW-RRURFNPQSA-N 663.140 5.954 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 963160147 IAUYYFMBGZYSTM-ARPOTICCSA-N 722.500 7.341 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCl)C(C)(C)N3C(=O)c4ccccc4C3=O)nc(Cl)nc21 963927730 CWQIVJDNMHBFMS-GDLZYMKVSA-N 579.488 5.338 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)CCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1772584654 AAJRRTNAQANASL-JBBVVKMFSA-N 830.167 12.283 50 1 KKGF Cc1ccc(OC[C@@H]2CN(C(=S)SSC(=S)N3CCO[C@H](COc4ccc(C)cc4)C3)CCO2)cc1 1772607662 CDBCCTUNOLHZQV-ZEQRLZLVSA-N 564.820 5.114 50 1 KKGF COc1ccc2[nH]c(C)c([C@@H]3C(C#N)=C(N)Oc4c(C(C)C)cc(/C=C/C(=O)c5cccs5)cc43)c2c1 1857636049 MRURGSHJQALITJ-WBYFNBFHSA-N 509.631 6.784 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)CC2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356308570 DSSHVYMOFNQHCC-PCTYWEFQSA-N 668.022 8.595 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356354723 PIVIAJMETAGOJR-UFQOGOCVSA-N 957.265 9.124 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2C[C@H]3CC[C@@H]4CCC[C@@]4(C2)C3)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356577891 VYRWBBKFTONUEP-VAHJSZDASA-N 864.276 7.439 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@@]1(C)[C@H]2Cc3cc(C(=O)O)ccc3OCC2=CC[C@H]1Br 2356634545 HKJSNLGQALZKKO-BNVFNJBESA-N 584.389 6.767 50 1 KKGF O=C(CCCCCC(=O)N1C[C@H](CCl)c2ccc([N+](=O)[O-])cc21)N1C[C@@H](CCl)c2ccc([N+](=O)[O-])cc21 1651277 ARBYAROFENWSID-CALCHBBNSA-N 549.411 5.492 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 42765218 RKLDGEIKBMOFAU-JHOSTREOSA-N 563.474 5.440 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSS[C@@H](CCCO)[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 85597226 PCXQLSOWWQSCTC-FXGYFSPBSA-N 739.953 7.304 50 1 KKGF biogenic,in-vitro CC1(C)CC(=O)C2=C(C1)N(c1cc(F)ccc1F)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96908484 HKZNAPPFMUFASJ-PMERELPUSA-N 608.048 7.771 50 1 KKGF CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 150347332 XLBOVVXSJWIJAT-IGEXSSGHSA-N 911.285 8.854 50 1 KKGF biogenic,in-vitro C=CC[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)C=CC(=O)[C@@H]1CC(=O)N(Cc1ccccc1)Cc1ccccc1 195418849 PWCBAHMUSMNOIR-LSMIHOHGSA-N 503.759 6.943 50 1 KKGF CC(=O)O[C@]1([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587326503 LQIVOTNZGOEVLH-FEKOTUTISA-N 681.628 8.290 50 1 KKGF CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534943 GOKYVYRWTDGJQU-AYLZSAKASA-N 564.147 7.237 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587542589 HOTBRQBTEXPMPP-QNOKYYONSA-N 525.944 5.408 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2ccc(F)c(Cl)c12 587628693 SHEXNNGIPPNFOG-HVLYDUIOSA-N 580.911 6.960 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1C(=O)c1ccc(Cl)cc1 963027624 SXRDMZNTQFIBFQ-MYVCOICNSA-N 668.931 6.412 50 1 KKGF CCCCCCCC(Cl)(Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772653961 LWFZKXMCJDHBNJ-NLBJOJBKSA-N 696.237 9.528 50 1 KKGF CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(C(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1857626957 CWRDZTRNVWLRDV-HBNAIHPFSA-N 984.157 6.150 50 1 KKGF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OCCCCCC(=O)NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N\O 1857652492 WZSUYCUMWMYLBJ-YPXMTRNESA-N 895.855 5.145 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@H]1[C@H]3[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@@H](C)CSSCNc2cc(ccn2)C1 2356309307 WJOAJRATHFWQIH-BVLGLZIFSA-N 602.822 7.516 50 1 KKGF CCCCCCCCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1 2356334880 OTVIJJKBILNRLT-HOTQMFGZSA-N 599.293 7.964 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@@H]2[C@H](CC)N(CCCOC)CC[C@H]21)C4 2356351953 IZFSPIUPIXDUSY-OQSGHPMPSA-N 895.059 5.259 50 1 KKGF CNCc1cccc([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@H]24)c1 2356362567 GLFRRUZICYOJRP-BFDYMDARSA-N 664.982 5.406 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@H](C(C)=O)N1)C[C@H]3CO)CC(=O)CC2 2356364307 VJAMOHXCKQSTJE-DFKPQXJWSA-N 955.249 8.859 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCCC[C@@H]2CNC)Cc2cccc(c2)C1 2356370079 WRWMHNULNAFUPG-BEOSHUGWSA-N 968.374 6.889 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)c1O 2356372737 LJLQIFPLZYHBDV-UPYCSGAKSA-N 766.975 7.536 50 1 KKGF COc1cc2cc(c1O)CN1C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2)[C@H]1CCC(C)C 2356373215 URYWOUVWSYLOCO-RRFVUZEHSA-N 680.978 5.976 50 1 KKGF CNCc1cc(O)cc([C@H](NCCCCO)O[C@@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356485934 YWPCUBHEXSXCRR-KEJQJTBPSA-N 750.980 6.726 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)CCCC(C)C 2356767873 IAQZLKZEXSJXOE-CKMACTSFSA-N 623.919 6.388 50 1 KKGF CCCCCc1cccc(C[C@@H]2C[C@@H]3[C@H](O)C[C@@H]4[C@H](CC[C@]45CCCC54CCCC4)CSSC[C@@H]4CC=C5OC(=C6OC(=O)C(CO)=C6OC)[C@H](C)[C@@H]5[C@@H](C2)N43)c1 2356829129 IVEVHBQQQNBKTD-KCTGOZKFSA-N 818.199 9.914 50 1 KKGF COc1ccccc1[C@H]1[C@@H](Cl)C(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873566 UTVKAGYMPJEEHO-RPBOFIJWSA-N 657.377 6.129 50 1 KKGF Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 84596873 YGJPJOYAFOTARL-CCVNUDIWSA-N 598.299 5.441 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Br)cc1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Cl 84709961 NURTVJZFUNMQJT-QHCPKHFHSA-N 583.317 7.067 50 1 KKGF C[C@]12CCSSC[C@@]34N=C(N)NC[C@@H]3[C@@H](c3ccccc3)CC[C@@H]4CCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549337 UWCFAEXKYVXXIZ-KXWZLBGOSA-N 623.929 5.701 50 1 KKGF biogenic,in-vitro CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344148 NKDDPTCDRGKJDF-WPDZLWHZSA-N 781.997 7.471 50 1 KKGF biogenic,in-vitro CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 161545979 XXYWFFFNGNMCNB-TYSARWGPSA-N 816.166 7.725 50 1 KKGF COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@@H]([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 195268986 WBVPSAGIFSGFEV-GJKSSDDYSA-N 984.350 5.373 50 1 KKGF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H](C)O)cc1 586938227 OXWNDAHSMLSDQR-VFZGTOFNSA-N 566.368 5.392 50 1 KKGF CC(C)n1c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc(Br)c1Br 587004903 CJTWSUYGDKKTHP-UHFFFAOYSA-N 509.136 7.795 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Br)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191192 RCMZUWFFHOXENY-UATTUGJOSA-N 640.663 7.357 50 1 KKGF CCCC[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199235 BFBJTFGXYISQAH-SANMLTNESA-N 565.608 9.333 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587324456 ZKBDNPJWQOFBTK-IXCJQBJRSA-N 531.381 7.596 50 1 KKGF O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc1C2 587325478 FYZGQLSPQPEEIY-SMCANUKXSA-N 547.409 7.017 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc(F)cc1)[C@@H](Br)[C@H](Br)c1ccc(F)cc1 587573084 VKJCPDCAJWUPMG-JZTSUELASA-N 616.252 7.427 50 1 KKGF O=C(Cc1ccc(CBr)cc1)Oc1c(-c2ccccc2)[nH]c2c1c(Br)cc1n[nH]cc12 587620708 FIJFSJSVGTUKOX-UHFFFAOYSA-N 539.227 6.517 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670668 MILSWJAJYSNSLY-DDBGAENHSA-N 506.051 5.912 50 1 KKGF COc1ccc2c(c1OC)[C@]1(CCC[C@H]1CCBr)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668180 BRQICYNHCOBKKN-MHECFPHRSA-N 526.393 6.202 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(Cl)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937240 FOWYMZMFUXXAFG-QWZLPZRWSA-N 693.129 6.116 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(CS(=O)(=O)c2ccc(C)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937924 IGUSAPSZMZEABJ-OBTNNAFISA-N 750.803 5.196 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@H](c2cc(Br)cc(S(F)(F)(F)(F)F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946170 CQCBINRDZKKELN-AQCTUAEDSA-N 770.706 8.333 50 1 KKGF CCCCCCCC(Cl)(Cl)CCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772653962 LWFZKXMCJDHBNJ-XFWFMGEJSA-N 696.237 9.528 50 1 KKGF O=C(N/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1Cl)c1cc2ccccc2oc1=O 1857573422 ZEYCMWHOPSVRDV-OPUGFCLASA-N 519.941 5.407 50 1 KKGF CC1=C(C)[C@]2(OO)O[C@](C)(C[C@@H]3c4c(C)c(Br)c(C)n4[B-](F)(F)[N+]4=C(C)C(Br)=C(C)[C@@H]34)CCC2=C(C)C1=O 1857655866 QBRBMZPNQXRFMV-DKNHICIASA-N 658.187 7.093 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNc3cc(ccn3)C23CCCC3)CCCC1 2356309632 XJGBEEJACFODBZ-REPJWTEWSA-N 700.967 8.884 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C)=CC=CC=C(C)C=CC=C(C=O)CC[C@H]1C(C)=C[C@@H](O)CC1(C)C 2356375635 FJWGLEVADWWUFR-BEAALGTASA-N 584.885 9.806 50 1 KKGF CC(C)=CCC[C@](C)(O)[C@H](O)CC=C(C)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356383542 PWDGMEJVFFOABR-ZZBCOJQPSA-N 571.637 6.778 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@@]78CCC[C@@H]7C=C[C@@H](C8)C67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@@H]41 2356414363 JPMCNBDTTGKXAV-NJKVRQAOSA-N 972.372 7.033 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)C7)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356509269 JYGUYNQVUBUIKD-YFDOXMEJSA-N 950.317 6.696 50 1 KKGF COC(=O)[C@@H]1CS[C@H]([C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)N1 2356544980 ASKCMCAJPPSBDL-KRQQGRSYSA-N 658.244 5.922 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 2356572349 YDULBHPBPJDLQZ-MESWMRGHSA-N 845.100 7.083 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@@H]2O)cc(OC2CCCC2)c1O 2356600195 DDHQCOKWAAIDPK-AQNARHRFSA-N 724.938 7.419 50 1 KKGF CCCCCCNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@H]3CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C3)[C@]1(C=CC[C@@H](C)C1)C2 2356635142 SWBWOWATQRACIR-BGRNZOFTSA-N 729.197 11.380 50 1 KKGF COc1ccc(OCC[C@@H]2C[C@H](C(=O)[C@@H]3C[C@@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)OC(C)(C)O3)OC(C)(C)O2)cc1 2356709265 VSTLSDQPKNLANE-UFJXAAJKSA-N 690.950 6.820 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@H]2C=CC[C@@H]3O 2356773537 BVCFRCOSYVVCHU-VIYGXYRJSA-N 940.286 5.474 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@H]1C)N43 2356812314 BTJSBAQZMGAJQV-DOBOJMCMSA-N 710.059 9.300 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356823902 GPXLPHNTFSFTLV-ZZTDLHMNSA-N 828.962 5.810 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](C2(N3C=CNC3)CCCCC2)SSC1 2356837624 LLLKZBXJCHXJBV-MVBCDLFMSA-N 662.922 7.495 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C(=O)NC1CCCCC1 28562897 MCXXTDZZPGXXOS-CYXNTTPDSA-N 654.737 5.739 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 42889583 NTCSZWJQMLLRJZ-PZQBINCASA-N 530.109 5.920 50 1 KKGF COc1ccc(Cn2cc(/C=N\NC(=O)c3c[nH]c4ccc(Br)cc34)c3ccc(F)cc32)cc1 82157742 JLJLTVMWMXFRTR-FTCYSYDXSA-N 519.374 5.845 50 1 KKGF O=C(O)CN(NC(=O)c1ccc(CNC(=O)c2cccc(C(=O)O)c2)cc1)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1cccc2ccccc12)Cc1cccc2ccccc12 96130580 ASKNZQDJJSNTBW-YDAXCOIMSA-N 764.791 5.176 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@@H]5CCC[C@H](CC[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)C5)c1O 150342852 CNBPCPLXAUGPJI-CZZKDMNZSA-N 795.029 8.077 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)cc1 150567565 QKHVXANOABYUHL-TXBNHIDXSA-N 879.594 8.436 50 1 KKGF O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1Cl 473150945 NQKLMIPZZCMTBE-IIXSRDTASA-N 563.030 6.941 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 587325655 GKRRIUHBYLUPBT-LMSSTIIKSA-N 519.956 6.161 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 587326612 MCBHUCRJNHYIPY-JDXGNMNLSA-N 520.000 6.831 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)CC2=O 587497353 VSSVGHRXWJGNLA-DUTUXMCTSA-N 580.190 7.915 50 1 KKGF COc1ccc(Br)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539516 WTAHFIQUYIAWFD-DENIHFKCSA-N 520.173 5.415 50 1 KKGF Cn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl 587547356 ZOVKTEULZQEOJR-UTKZUKDTSA-N 515.176 5.380 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 587736945 CNAQZANWNUSGKD-IWAYBZMOSA-N 729.340 6.443 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587852729 ICJPPXAIYNHTJN-ZBSNKRKSSA-N 595.365 7.275 50 1 KKGF CCCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)O[C@H]3CCC[C@]4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)CCCCC2)nn1 621431730 BUCCEQIRSSECMF-OOUZYRNKSA-N 762.842 8.259 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)c3cc(OC)ccc3CCN2C(C)C)cc1 962094750 RRDZGRPSCOSJNT-URLMMPGGSA-N 538.482 5.869 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)N1 962698653 NNTBTNPVCHAQQS-JVNMPXIPSA-N 637.212 6.865 50 1 KKGF Brc1ccc([C@@]2(C(Br)Br)c3ccsc3CCN2Cc2ccco2)cc1 962707750 OIAHNWHZFUOHSJ-IBGZPJMESA-N 546.122 6.521 50 1 KKGF Cc1cccc([C@@]2([C@H](C)Br)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963042437 SINZLEQLQLTYIS-UFVDTMFCSA-N 632.501 7.561 50 1 KKGF O=C(c1ccccc1)[C@@H](Cl)[C@]1(C(F)(F)F)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045272 YMIWGINWPSJBON-DBZLJLCCSA-N 656.003 7.473 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2cccc3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963074157 LRAOMLUZPIGQER-RCDGGPPNSA-N 804.630 9.435 50 1 KKGF Cc1cc([C@]2(CCCCCCCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)ccc1F 963180327 PWCVBNNFWCNKGY-GMAHTHKFSA-N 506.367 6.838 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N5C(=O)OCC1c2ccccc2-c2ccccc21 963234035 LKGILABGOGJHAT-ZLGLWUIASA-N 996.850 8.978 50 1 KKGF COC(=O)c1ccc([C@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)s1 963818847 UHFFERLPEPZJNI-VWLOTQADSA-N 511.441 5.379 50 1 KKGF CC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2ccc(COC(=O)CCCCC(=O)N[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc12 1857604671 UUVYANWZQRKZLO-UHYIFUBKSA-N 739.241 7.035 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@@H](O)C3CCC(O)CC3)C2)[C@@H]1CC(=O)O 2356321509 VAAPPBOJWYZWOU-IBEUQZPPSA-N 724.042 6.559 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)CN[C@H](C)Cc1ccccc1 2356358133 XLSXUXBCBPTWPP-BXQLAJIFSA-N 662.956 5.761 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C1CCCCC1)[C@@H]1CC[C@H]([C@H]2CSSCc3ccccc3CC[C@H](c3cccc4cocc34)CNC(=N)N2)C1 2356368307 JQWVCVZMWMVZNE-IBWPXTGISA-N 948.437 13.276 50 1 KKGF COC(=O)[C@@H]1[C@H]2[C@](C(=O)OC)(CC[C@@H](O[Si](C)(C)C)[C@@]2(C)C(=O)OC)[C@H]2CC[C@H]3C[C@]21C[C@]3(C)O[Si](C)(C)C 2356384719 WKDQMFWJXLOQRE-PJARANNNSA-N 582.883 5.175 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H](CCCO)[C@@H](O)CC5CCCCC5)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356565505 YRSOWXYYXHAEKR-PLJDCMBSSA-N 764.019 8.373 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(C[C@H](CO)CCCO)CC3)[C@H](O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356624401 CFHNOLDBMDPFHI-MFNHEFHOSA-N 966.276 9.028 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356738871 FHHBLXAUCHDWCM-TWSXEGAISA-N 873.185 5.202 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@@H](C)O)C2)Cc2cccc(c2)C1 2356768383 NQXCHVHSIRKMST-YHDJOLQJSA-N 998.400 6.393 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNC1=CC(=CCN1)C1(CCCC1)C[C@]1(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]1O 2356811708 BQEHTGMZURRFMY-MXIVJYFNSA-N 917.156 5.442 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](C1(n3ccnc3)CCCC1)C1=CC2=CN[C@@H]1N 2356833695 KISWNKBLKAIDKH-RRFOKGOESA-N 646.879 6.399 50 1 KKGF CCCC[C@@H](CC)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@H](CC)CCCC 29468866 BSYRXGVHBHLECM-DNQXCXABSA-N 528.828 8.378 50 1 KKGF C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)CC[C@@]6(O)C[C@H](N=C(N)N)CSSC4)O[C@@H]21 85594354 ZEGDPFLSHFYAPL-KRLZMVHBSA-N 708.903 5.735 50 1 KKGF biogenic,in-vitro O=C1c2cccc3c2C(=O)[C@]2(CSS[C@H]4Nc5nccc6c5C5=C4CC=C5[C@@H]4CCC[C@]64C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 150344738 HWPCPVHAJCTSBL-SHFQFPHXSA-N 848.996 5.101 50 1 KKGF biogenic,in-vitro CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(C)C)[C@H](CC(=O)OC)SS[C@@H](CC(=O)OC)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC 150574055 LWUHOOLBXGGHDX-HRBSCIILSA-N 865.132 5.465 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 195159093 SBWFAIGFKMBQFX-SIYIPWCNSA-N 798.421 5.306 50 1 KKGF CC(=O)N[C@H](Cc1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 195464702 YIRPLGKUOHBEPW-BTZWVAFJSA-N 790.251 6.825 50 1 KKGF CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)Oc2cccc3ccccc23)N2C[C@H](Cl)CC(C)(C)C2)C1 299861286 IDMCXXPJSPYTRZ-GSLIJJQTSA-N 533.584 6.963 50 1 KKGF O=C(OC1CSSC1)c1ccc(CCCCCCOC(=O)c2cc(Br)ccc2Br)cc1 299872109 ZZQGXJVGZKQIGN-UHFFFAOYSA-N 588.383 7.092 50 1 KKGF Cc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1C 473151557 QHSGDFJCMUJGMF-UHFFFAOYSA-N 546.812 8.721 50 1 KKGF Cn1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl 587323781 MQMZPBCNDZCNTI-SIKLNZKXSA-N 531.194 5.916 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 587329809 MBYAJKYGCIEADQ-CJNGLKHVSA-N 548.071 5.943 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)O1 587331906 KLPUSSUGCRTSOV-PPENGFAZSA-N 683.188 6.963 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372006 GZJDCNRQCYBYNB-GMCHKSTQSA-N 592.088 6.960 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)C(Br)Br 587538344 PFYAENJTZHQRCS-UWJYYQICSA-N 535.144 5.273 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542522 HJBNWNCISRXUAH-OXHKVPJQSA-N 525.944 5.408 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 587673152 KXGZHNIOCNAYJK-WNWIJWBNSA-N 585.935 5.868 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)([C@H](Cl)C(=O)c2ccccc2Cl)N1 587688259 KDJJKRLLUFVEON-SHAMJUJCSA-N 541.675 7.163 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 587689143 PZBPPDXTNLYDDW-NPMABZOXSA-N 506.803 5.921 50 1 KKGF O=c1oc2cc(F)ccc2cc1[C@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951029 FSOCLRBXHSOGNN-HSZRJFAPSA-N 526.324 5.241 50 1 KKGF C[C@@H](Cn1ccnc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C 963067111 NINGWFAINYERMO-LBDWYMBGSA-N 598.817 5.862 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1OC 963447565 KZLHODFMHRHPGO-BZZCMJIQSA-N 713.581 6.244 50 1 KKGF O=C(OCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O 1772592976 QERQWIBBYXFJQF-UHFFFAOYSA-O 527.621 6.589 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5ccc5cccc(c65)[C@@H](SSCCC[C@H]3O)[C@@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356291711 BWSXWTIAMOWIFE-LKTKLGLRSA-N 908.198 10.528 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356301140 REWLKWWXEBRXGT-RABRPKLISA-N 864.143 7.929 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356301142 RGHULZQWQPBEKZ-VUIWOHRTSA-N 941.318 8.420 50 1 KKGF CC(C)Cc1cccc([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@H](CO)C5)c1 2356354747 PPXZJLMENKGELZ-KNMHLIKTSA-N 680.037 7.252 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@H](CC(C)C)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356356175 KDXSXOLKKDFRIF-BZMXBEANSA-N 818.108 5.995 50 1 KKGF CC(C)Cc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356363722 OURSFHMMLGSNOJ-GLAJNCOLSA-N 684.025 6.041 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356367848 JDUIXENUSQASED-PHQNXQSASA-N 987.376 9.017 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@@H]5[C@]6(C)CC[C@H](O)[C@](C)(CO)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2[C@@](C)(CO)[C@@H](O)CC[C@]21C 2356407805 LFOGUDTXRGAZLK-UVNOJMDASA-N 923.373 12.166 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC)[C@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2CC[C@@H]2CCC[C@@H]21 2356505828 QOLBPFOHLXZTAK-WVSQOAQCSA-N 966.413 7.314 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356735799 ROXMFOMYRUUOPK-PZRUDRGESA-N 917.336 10.751 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@H](O)C5 2356754003 XUHVNZPANIRAIJ-PYTRRXQGSA-N 824.159 6.999 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@H]1CCCO)[C@H](O)CC(=O)CC2 2356768220 KZSLMFKMPSMDJZ-LHMMEHJJSA-N 582.784 6.632 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@H]2O)O3)c(O)c(OC)c1O 2356768489 OVIXSLUMGONREA-XTRKLPRHSA-N 712.883 6.128 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@H](O)c2ccc1c3c24 2356829954 JCKAAFJAMXOJJG-USJFFKGNSA-N 953.240 7.649 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356831479 JPMWLUMCVKEGBM-BXFPNJTASA-N 896.097 6.874 50 1 KKGF COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1ccc(I)s1)C(=O)OC)NCCC(=O)c1ccc(I)s1 95546937 SSOGQCMXDAJCQI-IYBDPMFKSA-N 824.588 5.289 50 1 KKGF Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CCC4)cc2c1 96907847 RKMQZYMORXDKBH-PMERELPUSA-N 559.576 6.790 50 1 KKGF COC(C)(C)C/C=C/C(C)=C/C=C/C(C=O)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C[C@@H](O)CC1(C)C 102192272 DFOYVSCLGRVGJK-VNWCQJOTSA-N 596.896 10.547 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5cc(C[C@H](CO)CCCO)c(=O)oc5cc1O2)[C@@H]34 150345886 CZPLUNNNYPVBJJ-CYLRFERRSA-N 829.054 5.040 50 1 KKGF biogenic,in-vitro NCCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCCN 169331933 JDVLFQFRVJNGHA-UHFFFAOYSA-N 518.966 7.266 50 1 KKGF C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 253633547 IGVIVGSXJUDQEG-VQFNFALPSA-N 521.050 5.068 50 1 KKGF COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@@]2(Cl)[C@@H](Cl)[C@H](Cl)[C@@]1(Cl)C2(Cl)Cl 254075219 DZSXSEOBPROUOW-UWXQAFAOSA-N 636.098 5.941 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 254077165 LWPHQIZHZGFZCD-JMSVPOGOSA-N 543.410 6.305 50 1 KKGF CCC(=O)OC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299807754 HWQAADDMJATBGE-OJFGFTBWSA-N 514.791 7.565 50 1 KKGF CC(C)(C)OC(=O)Nc1nnc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)s1 587024336 VWUDKTREULROTP-UHFFFAOYSA-N 536.346 6.772 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C#N)c(C(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191244 RQTPKJHMXSVDCG-SMISMSJTSA-N 654.774 7.485 50 1 KKGF C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330684 ORISCMFVTXOKLF-DFTDMARZSA-N 509.293 6.588 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1oc2ccccc2c1CBr 587537540 HGQLSAGFXGWUIV-VAVYLYDRSA-N 527.370 6.939 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587688346 LQYNVAJUMCHTKA-DEXQXJORSA-N 571.922 5.810 50 1 KKGF COc1ccc([C@]2([C@@H](Br)c3ccccc3)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1F 962406439 SBFFNKKTXCZEPU-JGNCCGPDSA-N 693.569 7.870 50 1 KKGF FC(F)(F)c1cccc2c1[C@](CCCCCl)(c1ccc(C3OCCO3)s1)NCC21CCOCC1 962949936 DNYNREIRNYGPEQ-DEOSSOPVSA-N 516.025 6.116 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 963180248 PTQMLMMFUAQMGP-YJBOKZPZSA-N 514.672 5.198 50 1 KKGF CC1=C[C@@H]2C(=O)c3cccc4c3C(=O)[C@@]2(CSS[C@H]2Nc3nccc5c3-c3c2cccc3[C@@H]2CCC[C@]52C[C@]2(O)[C@H](O)[C@H](O4)O[C@@H](CO)[C@H]2O)C(O)=C1 2356300643 OEDNCWDGHRFWBI-SXSCVVGCSA-N 754.883 5.109 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@H]2C=CC[C@@H]3O 2356349757 NPPOSRYXHOGZBE-HQOXFMOMSA-N 990.387 7.033 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C2CCCC2)Cc2cccc(c2)C1 2356409437 JFIBJRBNUSOFDC-KKZCVPLQSA-N 745.058 6.032 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@@]14[C@H](C[C@H]5C[C@H]1C(C)(C)O[C@@]4(CC=C(C)C=O)C5=O)C3=O)C=CC(C)(C)O2 2356513030 ORNMPVMTDJIPQS-BGFDFCAZSA-N 546.660 5.707 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)cc(OC)c1O 2356766577 PIUVILCNMLVVPT-SGVYBONASA-N 664.842 6.881 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=CC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)C5)c1O 2356776056 CUXNTUMOCPAOEW-XLHHRFOPSA-N 793.013 7.853 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356841090 NEQLNMKFIOWYIG-RYINDGSPSA-N 701.911 6.080 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](Cn1ccnc1)C1=CC2=CN[C@@H]1N 2356862094 UWUPVSIDSSOCIC-GFNHEJGKSA-N 592.787 5.129 50 1 KKGF COc1ccccc1CNCCCCCCCCCNCCSSCCNCCCCCCCCCNCc1ccccc1OC 29553617 NWUHZQKHILHNKH-UHFFFAOYSA-N 675.106 8.605 50 1 KKGF Cc1ccc2oc(=O)c(C(=O)NCCCCCCCCNC(=O)CCCC[C@@H]3CCSS3)c(O)c2c1 43074417 WGRWLWAZFISPOT-HXUWFJFHSA-N 534.744 5.708 50 1 KKGF C=CCCCC[C@@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC 44307373 VOGBKCAANIAXCI-XGEXKBAQSA-N 626.963 10.319 50 1 KKGF FC(F)(F)c1cc(N(C2c3ccccc3C=Cc3ccccc32)P(Cl)Cl)cc(C(F)(F)F)c1 73417682 JYHKXFTUBINQOT-UHFFFAOYSA-N 520.240 9.509 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)C1(CC=C(C)C)CCCC1 85544398 YJOUVDGDSWRJKH-NRHAKTAASA-N 607.876 5.752 50 1 KKGF biogenic,in-vitro CCCNc1ncnc2c1ncn2CCCCCCOC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 95580436 MRMYHFCLNQCTAM-FIRIVFDPSA-N 671.751 5.551 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)[C@H]2O[C@]24[C@H]2[C@@H](C)[C@H](C)CC[C@]2(C)CC[C@]43C)C1(C)C 95908930 MTHXIZRKFSBBNW-AAFHLZCLSA-N 516.763 7.275 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]34 150345881 XFNVIBDEQIUJBN-QLVBMQQGSA-N 855.092 5.960 50 1 KKGF biogenic,in-vitro COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(OC(=O)C(C)(C)CN)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 169298870 KPTCSAAFHRHVCA-HFPWJRRGSA-N 820.808 5.215 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OCCCCBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299866947 XBZKOKUZDHHTLT-BUVPLSRSSA-N 589.699 8.931 50 1 KKGF CCOc1cc2oc(=O)c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2cc1Br 586998395 IOOAYOUAIBVCAY-UHFFFAOYSA-N 590.162 7.917 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1scc(Br)c1Br 587614229 RKYDYSWAVLQAFS-IFXJQAMLSA-N 530.621 6.075 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587672443 FWJUCAFTGOFCPU-PRWKNARSSA-N 516.205 5.240 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587687953 JCRIRDOGLYTJSH-JYCPIGSLSA-N 527.821 5.525 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)(F)F)cc1 587719861 LYSFDBRSICCJAC-NPMABZOXSA-N 545.802 6.911 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccc(OC(F)(F)F)cc1)[C@@]1(CCC2)c2cccc(F)c2CCN1[C@H]1CCSC1 962701754 HATGNIFVNUFCMN-ARWCUYQDSA-N 557.613 6.229 50 1 KKGF Fc1c(Br)ccc(Cl)c1[C@@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963115006 YWLFLRCYOWXKGR-INIZCTEOSA-N 502.436 6.333 50 1 KKGF CC(=O)NCCc1cc([C@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 963185816 JAITZOKTCZKBLS-BFGHFXMOSA-N 617.073 5.840 50 1 KKGF COc1ccc(N2CCN(CC(=O)N/N=C/c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N4)O6)CC2)cc1 1857743081 BZAREVPOPIKYGF-QEMIZXPESA-N 972.102 5.035 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356363109 HDHDVRNHSWJXFO-SVABKATQSA-N 860.244 6.969 50 1 KKGF CCCCCC[C@](C)(O)[C@H]1Cc2c(c(CO)c3c4c2OC[C@@H](CO)CCc2cc5[nH]ccc5cc2[C@H]2CC(=C4C(C=O)=C(C(=O)OCC)O3)CCC2=O)O1 2356363420 JKYBHJNPWYKTGX-LRJTYOLCSA-N 741.878 6.318 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@H]3SSC[C@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC 2356415712 SZWLTTKBTHUVFJ-JLXJHTBASA-N 974.255 8.374 50 1 KKGF CNCCOc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@@H]4COC(C)=O 2356425459 FAFYACFYDUJMIS-BZEUYSDMSA-N 595.739 5.687 50 1 KKGF CCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@@H]1[C@H](OC)C=C(COC(C)=O)[C@@H]2CC(C)(C)[C@]2(O)[C@@H](O)C[C@@]1(C)OOC3=O 2356555062 HOCDVFMNFJTYFE-DQGMAJOKSA-N 630.775 5.177 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC)[C@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2[C@H]2C=C[C@@]13CCC[C@@H]3C2 2356683926 GQNSPINKPVRSQB-MSKQDEGDSA-N 990.435 7.795 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356692369 TVVAKLWNPKMXLB-DULYDJFNSA-N 945.254 8.810 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@H]41 2356725388 NICUEXOVGURABD-JIZLMZLHSA-N 944.318 6.251 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@@H]4C=C[C@@]12C[C@H]4C3 2356778719 CEJVZGWIGLXKQA-FEUDRGTKSA-N 724.133 10.681 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2(N3C=CNC3)CCCC2)SSC1 2356818057 DQCKVDVFZAWWEK-JPZYQRIQSA-N 622.857 6.400 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H](C)CSSCNC7=CC(=CCN7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356818404 DTMAHZFSZDMDPU-ULMLRDRMSA-N 632.892 7.597 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356868761 DESMCVDOWIERHG-IRZSFNNRSA-N 700.903 6.242 50 1 KKGF C=C[C@@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@H]1C(=C)C=O 14856104 IIBMSRRBRIHDMP-GOVLGDJKSA-N 527.573 6.849 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145605 WFKRPCCDEBLXJC-HLUURGJWSA-N 560.779 6.065 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C=O)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 49672467 RRXNGBYVIKSJGO-HGXPICTHSA-N 662.911 8.865 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc([N+](=O)[O-])ccc43)[nH]c2c(OC)c1OC 49695563 NTVQTDKBAKLPST-ZDUSSCGKSA-N 540.916 5.146 50 1 KKGF O=C(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)N/N=C\c1ccc(OCc2csc(-c3ccccc3)n2)cc1 66097727 KDNWALLUFIUJEX-KMUKQRDJSA-N 587.657 6.692 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@](C)(CC=C(C)[C@@]4(C)OO)CC[C@]23C)C1(C)C 139994060 JTFKVADIYDJEPD-GWJTUDORSA-N 500.764 8.208 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 150346760 TTZBYHZGYZZKRC-XBIPYMEQSA-N 902.226 7.018 50 1 KKGF biogenic,in-vitro CC(C)=CC[C@]12O[C@]3(O)[C@@](C(=O)CC(C)C)(C1=O)C(C)(C)[C@H](C/C=C(\C)C=O)C[C@]3(CC=C(C)C)C2=O 238788093 CRJBCLDWIBFYIG-HUBGMTGNSA-N 512.687 5.478 50 1 KKGF C/C(=C/CCC(C)(C)O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 299822904 PXLZXXWHUHFIPW-SXDXVQSQSA-N 537.225 7.290 50 1 KKGF Cc1ccc(C(=O)/C=C/c2ccc(C(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)o1 299856951 LIIGUAUYDRTYQQ-GGFCHXRYSA-N 522.594 5.849 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(S(F)(F)(F)(F)F)cc(Br)c7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O 586912651 WHKARNMPJWLTIF-YELCCWASSA-N 741.614 7.380 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320101 DTPMNYPGCDOSNQ-OFNKIYASSA-N 526.185 6.496 50 1 KKGF COc1ccc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc2c1 587322838 PFBPIHTWJUWQBD-AHKZPQOWSA-N 507.355 6.342 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2I)[C@H]1c1ccc(F)cc1 587340557 VERUVAAUXUYAKL-UNMCSNQZSA-N 632.061 6.548 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587369652 MUIDBZRAYSPOHQ-IAPPQJPRSA-N 588.495 5.745 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)O2 587371969 IVCDDFGBTGIGRK-DEOSSOPVSA-N 500.338 5.225 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@H](C)Cl)c(Cl)cc21 587458494 JVBMWCHCQDVTPN-HJFSHJIFSA-N 524.400 6.017 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H]2Br 587537182 BPBMSVXSVKAKBL-IMWXVOLQSA-N 522.233 5.687 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OC(=O)C(C)(C)C)cc2)([C@@H](C)Br)N1 587671094 PROYJOPQVNVHIF-CSTKLKAISA-N 527.272 6.101 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1cccc(CBr)c1)(C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963149193 SQOJFFFUWBBMPE-VWLOTQADSA-N 549.387 5.685 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccccc3CCN2[C@@H](C#N)c2ccccc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 963195556 OXGCBCOFXYWUEI-QPQHGXMVSA-N 599.587 7.962 50 1 KKGF CCOC(=O)[C@@]1(CCCCCCCl)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963584979 UESKKMDKOJJHSP-GDLZYMKVSA-N 590.042 6.306 50 1 KKGF Cc1ccc(C(=O)N/N=C/c2ccc3c(c2)Sc2ccc(C(F)(F)F)cc2N3Cc2cn(Cc3ccc(C#N)cc3)nn2)cc1 1857565317 YGUXLALUKUXBRA-OAQMXIGCSA-N 623.664 7.092 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)COC(C)=O)[C@@H]1C/C=C1/C(=O)OC[C@@H]1O[Si](C)(C)C(C)(C)C 1857633736 NHWQFTKOJGNBBM-ALGXZMMHSA-N 548.793 6.134 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@@H](CC=CCCC2CCCCC2)CC[C@H]1CCN 2356322203 FTTANVCMIDYINC-VDOSBOGWSA-N 666.050 9.739 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](C)(O)[C@@]4(CC1)[C@H]2O)CCC=C(C)C 2356363951 RNKLDKHUYHVLLN-XOTUYKTNSA-N 536.753 5.526 50 1 KKGF CCCCCC[C@](C)(O)[C@H]1Cc2c(c(CO)c3c(c2OCCCO)C(=C2CCC(=O)[C@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356374126 OCUAAQRJZXLMJX-HYWHREFCSA-N 715.840 6.145 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356379396 SEZXGHKDTFKCAQ-MNPWVRKHSA-N 898.290 6.135 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356441954 JKRVPFRVJGLEHE-XIJFYTJUSA-N 902.271 6.268 50 1 KKGF CC(C)=CCCC(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 2356703171 PWSDVAHJMAKGGG-XKENXYKYSA-N 598.865 6.691 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1ccc(NC[C@H](C)O)c(CO)c1 2356755785 TXVGKQUMCZDKSL-WUSOGCCNSA-N 746.992 7.861 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SS[C@H]1NC2=C4C(=CCN2)[C@@]2(CCC[C@@H]2c2cccc1c24)C[C@]1(O)[C@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356815705 CUKNVLNBOHVUNE-XPLFVLLFSA-N 921.103 5.028 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@@H](OCCO)[C@@H](CCC1)CC2 2356865813 VLHVCCQRDFMSDE-KGWOJJNWSA-N 820.131 5.789 50 1 KKGF O=C(O)c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1C[C@H](Sc3ccccc3[N+](=O)[O-])[C@H](Cl)[C@H]21 17433716 HLLGIHOHYYUOEV-GBCNUAAFSA-N 525.970 6.240 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(N(C)C(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC 26503004 GQHHWXOKRUNPLC-NRFANRHFSA-N 659.095 7.011 50 1 KKGF CCCCCC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@H](CCCCCC)NC(=O)c1ccccc1 36176468 KJWGUGYELVNALG-KYJUHHDHSA-N 592.821 7.647 50 1 KKGF Cn1nc(/C=C\C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1/C=C/C(=O)N1C[C@H](CCl)c2c1cc(N)c1ccccc21 82182111 POHRJBWHCNNYHG-FMIMHNAISA-N 651.598 6.656 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cc(F)cc(F)c1)SS/C(=N/c1cc(F)cc(F)c1)OCCN1C(=O)c2ccccc2C1=O 95615124 FMVQOLHINRFELI-CFTRLRGZSA-N 722.698 6.925 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 150349780 DJJNRFSVWLIZQU-MPSDEFDZSA-N 963.252 7.806 50 1 KKGF biogenic,in-vitro CCC(=O)N1CCC[C@H]([C@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 169851909 IZSGUIXILFQTFT-VTWVNALESA-N 573.979 8.435 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OC)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]1[C@@H]2O 195488634 JALYFSGCWRLNPP-BOHNELBESA-N 617.592 5.988 50 1 KKGF CC(C)(O)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@@](C)([C@@H]2CC[C@@H]([C@]3(C)CC[C@H]4OC(C)(C)[C@@H](Br)CC[C@]4(C)O3)O2)O1 238774582 IBSHOIPKLBGOQX-HZHDLLRKSA-N 605.651 5.184 50 1 KKGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(C(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)CC1 299823242 DHQBITYMJGNMLN-UHFFFAOYSA-N 504.495 5.095 50 1 KKGF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587055386 PWQHOEIJIOLQAY-GFCCVEGCSA-N 525.326 9.459 50 1 KKGF Cc1nc2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1Br 587056279 ONKAAVYIXKXEBI-OVCLIPMQSA-N 501.215 6.807 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1OC 587327308 OXBCWWAIQQITJR-XDFJSJKPSA-N 564.053 6.703 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587544800 OXUDLCAJOJLYSS-SAAIGDAKSA-N 526.416 5.913 50 1 KKGF CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587616082 AYWYBYAGRGZLJY-ANHUGMMASA-N 602.152 7.713 50 1 KKGF COc1cc(Br)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587671952 BXSHSQYFIXGJNZ-GIGQVBGESA-N 552.076 5.541 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)c(Br)c2)N1 587721480 WAPZMANZVADOLU-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)c2ncccc2c1 621430250 QKKUHWVCYBKMNM-YNZXHEJASA-N 721.896 5.676 50 1 KKGF CCCN(CC1CC1)c1nc(C)nc2c1SC(=C(C#N)C#N)N2c1ccc(C(C)C)cc1Br 653737474 HZNZTPDTOSIXTG-UHFFFAOYSA-N 523.504 6.800 50 1 KKGF O=C1c2ccccc2[C@@]2(c3cc(CBr)ccc31)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963243133 ZXBSTATXABNDLE-NXVGIJDASA-N 776.552 7.200 50 1 KKGF Cc1ccnc([C@]2(CBr)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c1 963579904 JUOJHOKEVZTQBK-MHZLTWQESA-N 583.408 5.700 50 1 KKGF COc1ccc2c(c1OC)[C@](C)(c1cc(Cl)cc(S(F)(F)(F)(F)F)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963797453 YJQNWWXZWGVMOA-NDEPHWFRSA-N 615.020 8.027 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(CC(=O)OC)s2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939205 UQKZWXBKADEZHK-AAPMYIMTSA-N 692.325 5.083 50 1 KKGF CN(C)C(=O)c1cc2c[nH]c(=Nc3ccc(NC(=O)CCCCCCCN=C=S)cc3C(F)(F)F)nc2n1C1CCCC1 1857557223 XRWUOMUKEVJTBU-UHFFFAOYSA-N 615.726 6.814 50 1 KKGF CC(=C[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1857622197 WRSMSHMFZJPGSD-KXQOOQHDSA-N 615.830 7.769 50 1 KKGF C=C(C)[C@H](Br)C[C@@H](Br)C(C)=CC=NOCc1c(F)c(F)c(F)c(F)c1F 2356306018 AABFPTARQKBOHY-VXGBXAGGSA-N 505.119 6.324 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@@H](O)SSCNc3cc(ccn3)C23CCCC3)CCCC1 2356309631 XJGBEEJACFODBZ-BVUCPDBNSA-N 700.967 8.884 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@]12C 2356342520 FIOAEFCJGZJUPW-IRAZZGIESA-N 512.560 7.804 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC2CCCCC2)c1O 2356368824 AITCVLAQXITDRU-QWGWDKLRSA-N 708.939 8.275 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356473572 JVALCPRTFRUDPB-JQZRCRPESA-N 891.375 14.222 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@H](C)CSS[C@@H]5C=C[C@@]3(C[C@H]5C4)[C@]3(C=CC[C@@H](C)C3)C2)CC12CCCC2 2356557550 SGXIRDFTQZNOOT-AVEDQABQSA-N 737.176 10.908 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@](C)(O)[C@H]2CCN(CCCOC)[C@@H](CC)C2)O3)O1 2356695626 OQAQBBFCWWMJQA-FQNJLKMDSA-N 869.065 6.871 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@@H]1C#CCc5c(cc(OC6CCCCC6)c(O)c5OC)[C@@H](O2)[C@@H](O)[C@H]31)C4 2356707227 LVLRSWOHMDJIRP-KMUHJGHJSA-N 714.946 8.841 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356709305 YADGZZKEMOAYDU-XXOHUQAKSA-N 843.159 5.841 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@H]1O)[C@@H](O)CC(=O)CC2 2356769584 JBVWVZYUXLXYMK-XROMWOPNSA-N 540.703 5.604 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@@]13CC4(CCCC4)C[C@H]1C=CC1=CNCN13)c1cc2cnc1N 2356826488 HXSVGMVEVXLZLN-NRLHOYJLSA-N 724.993 8.215 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=CCN=C1 2356868533 XCXIXWSQIWZQKB-SHWULQAXSA-N 882.046 5.977 50 1 KKGF Oc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1O 26667727 KCCRQRMNWRIRHD-UHFFFAOYSA-N 562.890 5.659 50 1 KKGF CCCCCCCCCCCCCCCCOOCC1=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@@]3(O)[C@@H]1O)C[C@H](C)C[C@@H]1[C@H]2C1(C)C 70451110 YIJXYOWJBGJASL-KGMUZINTSA-N 602.897 7.643 50 1 KKGF biogenic,in-vitro CCCC[C@H]1[C@@H](OC(C)=O)CC(=O)C[C@H]2c3cc(OC)c(O)cc3CC[C@H]2SSC[C@@H]1C1=C[CH+]N=C1 85624581 UYBAFMIVYCPXNH-GIMOGYEFSA-O 530.732 6.070 50 1 KKGF biogenic,in-vitro Cc1cc(C)c(Nc2nc(NCCNc3nc(Nc4ccc(C#N)cc4)nc(Nc4c(C)cc(/C=C/C#N)cc4C)n3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 95562269 FECLFBNJRDFKOS-VOTSOKGWSA-N 753.879 8.377 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)N(CCNC(=O)[C@H](CCCCN)NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95563362 SSVSGAYNTLHPNC-UIVJZDIYSA-N 833.036 5.950 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccccc4[N+](=O)[O-])C(=O)N3c3ccccc3)s2)cc1 103180515 DMOMVDBNJWUUFJ-MAGWUSJRSA-N 614.665 5.443 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348688 GRLWGNKNNLPNNN-WQMFAKIRSA-N 983.399 10.207 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](OCCC[C@H]1OC(=O)[C@@H](Sc2ccccc2)[C@@H]1CCO)(c1ccccc1)c1ccccc1 195159864 TWGHIPPCEZNPSK-NLDZOOGBSA-N 534.794 5.428 50 1 KKGF COc1ccc(S(F)(F)(F)(F)F)cc1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F 224544503 FAYFBKABIBYMCR-UHFFFAOYSA-N 505.484 7.377 50 1 KKGF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587050192 VYBSRHGWVZBSAL-UHFFFAOYSA-N 589.812 7.946 50 1 KKGF FC(F)(F)Sc1ccc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587126214 WDWPDYUFSPNANQ-UTCJRWHESA-N 525.284 8.765 50 1 KKGF Cc1cc(C)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587672653 GVYWCBKILKJHMR-HXPMCKFVSA-N 520.078 6.140 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3ccc(N4CCN(C)CC4)c(Br)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587935957 HRJLFZGYOMSCKS-NGICSXLQSA-N 618.569 5.284 50 1 KKGF CCCC[C@@H]1C(C#N)=C(C)NC2=C1[C@]1(CC(C)(C)C2)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962569221 JTCGCIIZOSTEJX-XRKPTOEKSA-N 642.800 7.819 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCl)(CC(=O)Nc1cc(C)nn1-c1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962636495 WZTFIFUSXKXRFR-QABMSTFYSA-N 581.069 5.093 50 1 KKGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23NCCc2cc(-c4ccccc4)ccc23)[C@H]1c1ccccc1C(F)(F)F 962669831 PHMGPUQFNJZDKS-FREGXXQWSA-N 543.545 5.339 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccc(OC(F)(F)F)cc1)[C@]1(CCC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963396 VSBGTGNDDOBSJD-UFHPHHKVSA-N 591.552 6.397 50 1 KKGF NC1=C(C=O)[C@]2(c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cc(Br)ccc2O1 963094234 LLECHGUPHMFLLM-BAOFOTJISA-N 657.564 6.758 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(C(CC)CC)N1C(C)=O 963315152 BQLUUDYEAHQXBF-DWDWHFOYSA-N 702.226 5.360 50 1 KKGF COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](OC(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)O[C@@H](OC(=O)[C@H](N)C(C)C)C(C)C)C(C)(C)C 1857536294 YOHNRXJNQMSDBT-HPZVGMDRSA-N 920.118 5.881 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@H](O)OCCCO)C3)c2)N1 2356368444 PJXCMBHIQZLBRQ-LALZEMGWSA-N 787.058 5.778 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](C4(CCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356369426 WTGNADDMECVHGQ-WAXZVRFSSA-N 952.382 7.448 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356482945 CDIOGMDSMNATON-MFKZDGMISA-N 599.903 6.634 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@@H]([C@H](O)[C@H]64)[C@@H](C2)[C@@]1(C)C[C@@H]3CNC(=N)N 2356534588 FQFFMVDDXGHMAX-QOWSJROHSA-N 957.405 7.585 50 1 KKGF C=C(C=CC=C(C)CCC=C(C)C)[C@@H]1CC[C@]2([C@H](CCCOC(=O)CCCCCCCCC)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O 2356535298 STJFJPTXDBOCEX-UNSWTLTOSA-N 624.947 9.689 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)[C@H](O)C1 2356572348 YDULBHPBPJDLQZ-MDOJLIHCSA-N 845.100 7.083 50 1 KKGF CCCCCCCCCCCCCC(=O)CCSSCCC(=O)OCCCCCCCCCCCC 2356723247 CFXOPFRPRLEYNQ-UHFFFAOYSA-N 544.952 10.882 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356815337 CQBOOEZNNUXWBL-KZRFAWOWSA-N 987.431 9.790 50 1 KKGF CNC[C@@H]1CC[C@@]23O[C@@H]2CCc2cc(N)nc(c2)-c2cc(CN4C=C5N=CC=C5C4)[nH]c(=N)c2CSSCC[C@@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@@H](C1)[C@H]2OC3=O 2356862845 UNVHOQWTQVGLQV-UVLPHOJJSA-N 864.063 6.148 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@H](CCc4ccccc4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@@H]5C[C@H](O)[C@H]6CCC[C@@]54C6)[C@@H]3CC[C@H]21 2356864226 VSQOQQFUKKRDCV-DNOGWMFWSA-N 756.175 9.366 50 1 KKGF CCCCCCCNC(=O)C1(C[C@H]2CC(c3cccc(Br)c3)=NO2)CCN(C(=O)CCCCCBr)CC1 38140371 LENYONRXIRRVNH-RUZDIDTESA-N 641.489 6.983 50 3 KKGF CCCCCCCCOC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145630 UIDXLKPLCURKOM-IHJNRKKMSA-N 603.888 9.110 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 43322197 GFVXUJAOFLGABH-FUPCLZBWSA-N 581.464 5.388 50 1 KKGF COc1cc(N[C@H](C)CCCNCc2ccc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 84739852 KMUWMAAXVZWHMR-QHFANUTDSA-N 645.841 7.338 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(Cl)cc12)=N/O)/C(Cc1c[nH]c2ccc(Cl)cc12)=N/O 95577056 OIALQZFCNGGZIC-IENBMRAWSA-N 621.572 5.015 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586966 ATOREEIPCPXFIJ-UZNNEEJFSA-N 746.876 9.190 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169313914 NYZKUKCTBCLVRV-YJBJRHHQSA-N 566.842 10.004 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3ccc(F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169314247 YXZQPOFPAGCYIT-DWNPJKEUSA-N 715.856 7.634 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169354495 LTLNAIFGVAUBEJ-OUEVJEGCSA-N 826.475 6.085 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 169361435 SBWFAIGFKMBQFX-GMZUCKJZSA-N 798.421 5.306 50 1 KKGF CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)NCCNC(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)C3=CC(=O)/C(=C(\C)C=O)C[C@@]32C)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716312 KDFRPOFRGCRKMY-DJGOGENMSA-N 885.152 8.249 50 1 KKGF CCOC(=O)c1sc(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(C(=O)OCC)c1CCc1ccccc1 195486539 WZQPGTAWALGRAQ-DTQAZKPQSA-N 636.887 8.106 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COC(=O)c3cc(Cl)cc(Cl)c3)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299836145 MRSJAJYRUSOLMR-GVBNVDLUSA-N 779.795 9.048 50 1 KKGF O=C(O)c1ccccc1NCCNc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587231651 UCNNENUGKAWOBV-UHFFFAOYSA-N 577.373 7.872 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327070 OJEUNCGDVHRAKN-HXMHRITGSA-N 730.233 6.053 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587331853 KEJOMNCVRTYYGP-ZMDVIOEBSA-N 707.210 7.775 50 1 KKGF N#C[C@H](c1nc(-c2ccccc2)cs1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371365 CEHORWOFERZUGL-SSEPRJSISA-N 504.970 6.299 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541482 BYTQHZNKYCOPIL-IRPSRAIASA-N 546.362 5.673 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 587679185 FMJXENMENJIZFP-XLFHBGCDSA-N 517.053 5.496 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@H]1COc2ccccc2O1 587686056 BVLFQAISWYTDKD-BYXUUWECSA-N 533.869 5.863 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)c(Cl)c2)([C@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 587688298 KXUYJFLCHZLYSS-QQMRPKJKSA-N 610.565 8.470 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@@]2(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N1 587718890 OZSFHRDUAMDSBS-PXNVSYLUSA-N 624.994 5.904 50 1 KKGF CC(C)(C)c1ccc([C@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962474484 KZDNCBKLMPGVCX-QTQRRKOQSA-N 581.112 7.122 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)([C@@H](C#N)c2nnc3n2CCCCC3)N1 963169170 DZAYWPNFWIQBSH-MFUOSOHNSA-N 672.233 6.026 50 1 KKGF C=CCC[C@@]1(CBr)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963796337 OJMQXBHQHBNOLC-AREMUKBSSA-N 511.416 5.009 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](Oc3ccc(-c4cc(-c5ccc(Cl)cc5)[nH]n4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857767312 BCHBQUBWNDSSKN-ICJCZORPSA-N 537.056 6.984 50 1 KKGF C#CCCN(C)CCN(C)c1cc(OC)c(Nc2ncc(C(F)(F)F)c(-c3c[nH]c4ccccc34)n2)cc1NC(=O)[C@H](C)NC(=O)[C@@H](F)Cl 1911577857 FBKFRDDQCHRDGX-ADXZGYQBSA-N 703.141 5.765 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1ccccc1 2356360474 GVLLLPMUJRUAKT-RPKLBELKSA-N 666.010 7.053 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356443118 APKCWRQIONZWTO-VSSOBQRNSA-N 829.132 5.654 50 1 KKGF O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23CCNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br 2356756210 GKTDFKGQRPKPEJ-XDSPJLLDSA-N 828.568 5.589 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H]2c3cc(OC)c(O)cc3CC[C@@H]2SSC[C@H]1C1=CCN=C1 2356845221 OCOYWFYGRFVTGY-UMRWJQPWSA-N 531.740 5.909 50 1 KKGF CCCCCc1cccc(C[C@@H]2C[C@@H]3[C@H](O)C[C@@H]4[C@H](CC[C@]45CCCC54CCCC4)CSSC[C@@H]4CC=C5OC(=C6OC(=O)C(C)=C6OC)[C@H](C)[C@@H]5[C@@H](C2)N43)c1 2356848064 PCDTXIOXHLDHQH-RVVCLXMZSA-N 802.200 10.941 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@@H]1C)N43 2356860248 UDDKJHIRDUXIBO-VGMPYFGQSA-N 748.064 8.181 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@@](C4)([C@]12O)[C@@]36C 2356876035 ZHFYTBJLENYPMG-XUHFCWRVSA-N 621.909 6.288 50 1 KKGF C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 49888888 YRPYKRNVNZETQA-IMXVASSHSA-N 712.880 7.531 50 1 KKGF Fc1ccc(C(OC2C[C@H]3CC[C@H](C2)N3CCCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 100900597 NDQHYTPBWHOLRM-FQLXRVMXSA-N 518.673 7.823 50 1 KKGF O=C(CCCC[C@H]1CCSS1)Nc1ccccc1NC(=O)c1c(O)c2ccccc2n(-c2ccccc2)c1=O 101406166 BCMFLFZATVMFKH-NRFANRHFSA-N 559.713 6.601 50 1 KKGF CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1F 103217128 VHTDYHKCHFXOHA-ZXYOZABUSA-N 579.631 5.128 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 103250404 XNBIBLMRKSUIGK-WQHZSUKSSA-N 565.711 5.889 50 1 KKGF CCCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118933962 JECQBHPHBSTJDJ-HQOTWLLBSA-N 591.528 6.220 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(COC(=O)C(C)(C)CN)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 169296435 LAHPYTGOVOPNIP-WDOSTQGOSA-N 834.835 5.353 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(/C)C2 169358554 LTLNAIFGVAUBEJ-RDYJLRPASA-N 826.475 6.085 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(Br)c1 587321099 IFBLAGKIIKKAEK-ISKFKSNPSA-N 534.219 6.560 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)[C@@H](Br)c1ccccc1)[C@@H](C2)C3=O 587414919 PQUKJXIUVXDQNE-LHXUXXTBSA-N 528.240 6.238 50 1 KKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(OC(F)F)c(Cl)c4)c1C)[C@@H](C2)C3=O 587423902 WDGWUUXLYFGKNL-BVZFJXPGSA-N 508.348 6.239 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587543628 LDXAOKJXXRXFRM-QNOKYYONSA-N 525.944 5.408 50 1 KKGF O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587548712 VGMUYGBANLPYMR-SHQCIBLASA-N 568.807 5.508 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc3c(c1)NC(=O)CO3)([C@@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672184 AWHIDASQZJJPGA-WVDZOPJMSA-N 574.983 5.623 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680149 RYWPLMVDDZUSTD-QFGCMMRWSA-N 739.300 9.374 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962769577 SGNFLRYABDTIAU-IYKJZBSOSA-N 622.434 5.257 50 1 KKGF Cc1cc([C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1CCc1ccc(Cl)cc1 963218502 SPCHLLPZGKOWMA-ROUMXBAISA-N 785.637 8.266 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832125 LLANNMDXUGZDNB-PPDVHVOUSA-N 617.672 7.865 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncccc2c1 1857747687 JWJAMUZTQXZEIT-KXPUMZMLSA-N 583.533 5.905 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1[C@H]1C(C#N)=C(N)N(Nc2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 1911586808 AFWPLXSFAMEOAX-SSEXGKCCSA-N 653.556 7.638 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(C[C@H](CO)CCCO)CC7)[C@H](O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356333044 NFOWMKPCTDKALR-ZUWIQFOUSA-N 940.238 8.638 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356376761 WTRNMVUURKYVLV-VNLAJTEMSA-N 795.118 6.863 50 1 KKGF COc1ccc([C@@](C#N)(CCCCCN2CCc3cc(OC)c(OCCCl)cc3C2)SC2CCCCC2)cc1OC 26251953 QWYKNGNJCDCWLF-XIFFEERXSA-N 601.253 7.733 50 1 KKGF O=C(Nc1ccc(F)c(Cl)c1)Nc1ccccc1SSc1ccccc1NC(=O)Nc1ccc(F)c(Cl)c1 27183203 AYEQKJCSYXPVTD-UHFFFAOYSA-N 591.492 9.359 50 1 KKGF CCOP(=O)(/C=C/c1cc(OC)c(O)c(-c2cc(/C=N/NC(=O)c3ccncc3)cc(OC)c2O)c1)OCC 49881477 DLYBXAWYJQXNCN-MSXKPISQSA-N 555.524 5.178 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24CCC[C@H]3[C@H]1OC4=O 85593845 RIOIXFPQBLNMDR-FBDMWFTJSA-O 805.959 6.263 50 1 KKGF biogenic,in-vitro O=C(COc1ccc(OCC(=O)NNC2=N[C@H](c3cc(F)c(Cl)cc3Cl)CS2)c(Cl)c1)NNC1=N[C@@H](c2cc(F)c(Cl)cc2Cl)CS1 95551294 WDEMIGLEHMFABR-PKTZIBPZSA-N 784.909 6.919 50 1 KKGF O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23CCNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br 238743611 GKTDFKGQRPKPEJ-ZPGRZCPFSA-N 828.568 5.589 50 1 KKGF CCCc1cc(=O)oc2cc(O[C@@H](C)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)cc12 587078225 LSINEZLSOFQGHA-JTQLQIEISA-N 587.792 8.835 50 1 KKGF Cc1cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)ccc1Br 587540640 PYKMRZJMHUTHJA-NAKRPHOHSA-N 552.852 6.967 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sc(=NS(=O)(=O)c2ccccc2)n(CCCCl)c1Cl 587607535 MYMISAULOINGNJ-REWPJTCUSA-N 591.494 5.530 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc([N+](=O)[O-])ccc12 587646217 XKSOWKLYYAJLJX-GFLMAIGRSA-N 643.108 5.986 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587687871 IXIXFQUDBSIBJW-SBYUVDGLSA-N 550.727 6.770 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 587848135 ZWAGWBDFNDHBFS-XUSGNXJCSA-N 574.151 7.252 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1OC 587856810 YIRRDMDDFPUEHV-XIKBYKQQSA-N 550.881 6.005 50 1 KKGF CC(C)CCC[C@@H](C)CCOc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@H](C)CCCC(C)C)cc1CBr 587875642 YTIAEDYGOQRBFN-FIRIVFDPSA-N 737.691 11.256 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCCl)(c1cccc(OC(F)(F)F)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682369 XJPZKWKSJPSYJU-NDEPHWFRSA-N 615.998 7.972 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@]2(/C(=C(/C#N)NCc3ccccn3)C(=O)c3ccccc32)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939435 XFSUNLSVWQPLSN-LPCXZAHGSA-N 748.931 5.226 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@]2(/C(=C(\C#N)NCc3ccccn3)C(=O)c3ccccc32)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939438 XFSUNLSVWQPLSN-UFCMZZMUSA-N 748.931 5.226 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356294202 AQRCUZINRQQULQ-CFZIWDDESA-N 645.803 5.195 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356360803 OKVLXVQCRBBOQN-WCHZDTNISA-N 997.330 9.686 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@]6(O)[C@H](OC)C=C(O)[C@H]6[C@H]4[C@@]35C)C[C@H]1C2 2356472972 OQWBIYWFIJETGR-UHOIOPJKSA-N 599.903 6.634 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@@H]1CC[C@H](O)Cc3cccc(c3)[C@H]3CSSCc4ccc5c(c4CC(=O)C(C)=C1CC[C@]2(C)O)[C@H](NC[C@H](O)C3)C(=O)N[C@H]5N)CCC=C(C)C 2356496905 RTFILKXMHHYTET-CCWRGPHZSA-N 926.299 7.655 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@@H]3C[C@H](Cc4cc(O)cc(c4)[C@H]4CC[C@@H](N[C@@]5(C)CC[C@H]3SSC5)c3ccccc34)C2)C1 2356701150 VTDVUTFXOZHUIV-YTHQGELQSA-N 587.939 9.832 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C12CCCC2 2356713205 BNQIUCINMADZNQ-PXIOQTFISA-N 953.359 8.179 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@H](CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356714836 LBSCWHVDFSPREN-IYBLGEGWSA-N 688.957 5.737 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356741145 PCJDCFXOKJJIAN-JOCIVYRRSA-N 676.901 7.612 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356771268 UAOCZJLEILVBDS-JRCDGFCTSA-N 719.020 5.905 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC[C@@H]1CC[C@H](CO)OC)CC[C@@H](O)CC(=O)CC2 2356774850 DRSPIPLHTDUNAS-CGNLFGKYSA-N 933.247 5.631 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1O[C@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356806242 AFSNOWARPBBBDX-FOXXUHHKSA-N 525.823 5.041 50 1 KKGF CCC1=C2C(=O)CC3=C4N=C(C(C)=C5N=C(C=C6N=C(C=C1N=C32)C(CC(C)C)=C6C=O)C([C@H](C)O)=C5C)[C@H](C)[C@@H]4CCC(=O)OC 2356817364 DKEMHTHVRWKIIY-JZWVFAODSA-N 634.777 6.238 50 1 KKGF O=C(NNC(=O)c1ccccc1SSc1ccccc1C(=O)NNC(=O)c1ccccc1S)c1ccccc1S 14128348 LLSCXYAYBZEUTP-UHFFFAOYSA-N 606.776 5.213 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=O)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 26404464 ZCLOWBXNKUYDPI-YVVNEJICSA-N 623.834 7.351 50 1 KKGF CN(C)c1ccc([C@@H](I)[C@@H](I)c2ccnc3ccccc23)cc1 38142129 QRJLZGHIQSBNID-MOPGFXCFSA-N 528.175 5.953 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1 72173215 BVSJNMUJASXWHG-UHFFFAOYSA-N 547.849 7.094 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 96085352 HKJSNLGQALZKKO-KXSKSBKOSA-N 584.389 6.767 50 1 KKGF in-vitro CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299823685 SMTKDYGXTCYGPV-IMTXTZCCSA-N 957.332 7.746 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299841556 BVRIJFRDMCDGFG-GNUIISETSA-N 937.049 5.464 50 1 KKGF COc1nccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587189442 BZAAMJJINWWCQU-GZZRBLOISA-N 592.781 5.998 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 587324671 SQPIGEVOFFZVAH-YPUBOHSSSA-N 524.419 7.474 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 587685292 PJOGVUMRGRTZTE-XELLLNAOSA-N 548.239 5.789 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@]1(CCl)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21)OCc1ccccc1 962634219 HXUCVDSTHHYOTP-YXSDWHQUSA-N 584.135 6.544 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(C3=C(NC(C)=C(C#N)[C@@H]3c3ccc(Cl)cc3)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683528 YSTGEVXKPDFLRZ-WNOXWKSXSA-N 668.115 8.227 50 1 KKGF O=CC1=COc2c(CCl)cc(Br)cc2[C@@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962692571 BYZCZNMGWSCJEB-HXOBKFHXSA-N 508.840 5.409 50 1 KKGF Cc1cc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)c(Cl)c1 963028727 XUHNJHPZTYIKOD-IUDBTDONSA-N 624.927 7.655 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)NCCc1c5[nH]c2ccc(OCc3ccccc3)cc12 963832139 LTDFCCYKFAKFOE-PLYTWBQDSA-N 727.317 8.234 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCl)c1cnc(N2CCCCC2)s1 963863375 VCMOXIQAVHARKG-NIYFSFCBSA-N 520.095 5.561 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@@H]1CSSC3 2356292741 WISRFKOVVQERKG-XNZKWPJISA-N 971.295 10.282 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356293777 KEXABOOLVFICPY-VXDCNZCWSA-N 772.002 6.779 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(NC(=N)N)CSS[C@@H]4CO)O[C@@H]21 2356297475 UXDVXSBLVRZNEZ-VMIIKZOYSA-N 821.031 5.787 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]34C[C@@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356566778 UACUEVLXHNSVNW-GWJNVBDLSA-N 786.208 7.666 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)N1C(=O)O[C@@H](c2ccccc2)[C@@H]1C 2356699294 MHVWYQXMFPWHMB-FVFIRPHJSA-N 519.755 6.442 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356743855 IAUADLMEROEUCM-OUYCKWISSA-N 776.116 5.539 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O 2356814861 CLVUQFYVVGXHNJ-IBMFNQPHSA-N 806.967 6.312 50 1 KKGF C[C@@H]1CC[C@@H]2N3C[C@H]4[C@H]5[C@H](CSSC[C@H]13)[C@@H]1[C@@H](C[C@H](O)[C@@H]3C[C@H](O)CC[C@]13C)[C@H]5CC[C@@H]4[C@]2(O)[C@@H]1CCC[C@]2(CC[C@H](Cc3ccccc3)C2)C1 2356859123 SRGWDJXDRXNQGS-PVQNDKHHSA-N 734.169 8.867 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1C1=CCN=C1 2356872898 ZBVUOAQFYWBGPG-AVYOUEOWSA-N 873.083 5.517 50 1 KKGF CC(C)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NNC(=S)Nc1ccccc1 17217451 BROKHWDLQSGCDE-DEOSSOPVSA-N 501.681 5.878 50 1 KKGF CC(C)(CCCCCCCCCCC(C)(C)[C@H](Br)C(=O)O)[C@H](Br)C(=O)O 26175802 AXXUJNIHMQQIIP-HZPDHXFCSA-N 500.312 6.636 50 1 KKGF COc1cc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2ccc(Cl)cc2C)cc(OC)c1OC 49757268 FCKLYVHJYTUKPE-XKJRVUDJSA-N 522.911 5.596 50 1 KKGF CCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 58602070 LFYVETSPEPPKAU-GQZOLDFPSA-N 661.877 6.794 50 1 KKGF CCc1cc(OCc2ccc([N+](=O)[O-])cc2)c(OC)cc1/C=N/NC(=O)c1cc2cc([N+](=O)[O-])ccc2o1 73196057 OKKXIHQSXHUUIQ-MZJWZYIUSA-N 518.482 5.163 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(/N=C/C=C/c3ccccc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84711216 YSGXHGHTQIFIFO-URYYIYIVSA-N 569.668 5.586 50 1 KKGF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C\CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 101137464 ZBKZGKOPNVIOTD-QUIXEILKSA-N 541.110 5.222 50 1 KKGF CC[S@](=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@H](OCCCl)C(Cl)(Cl)Cl 103219030 SWIRPNBNJSQCLP-RQOHWKINSA-N 607.096 6.561 50 1 KKGF COC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 103232658 AMMGQIPEGNTJML-KAQRXJTJSA-N 642.841 5.830 50 1 KKGF NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc(-c3ccc(CBr)cc3)cc2)cc1 136779821 DPJRDJNFCIDRHQ-UHFFFAOYSA-N 536.373 5.767 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(OCO)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSS[C@H]3CO 150349703 KROMOYUJBFBQMW-DMWCYZSBSA-N 1016.310 8.834 50 1 KKGF biogenic,in-vitro CC(C)(C)OC(=O)OC[C@H]1O[C@@H](n2ccc(NC(=O)CCCCCCCCCCBr)nc2=O)C(F)(F)[C@@H]1OC(=O)OC(C)(C)C 150600417 LTNCIRDJVMPGHQ-AGILITTLSA-N 710.610 6.892 50 1 KKGF C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(S(F)(F)(F)(F)F)cc(Br)c7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C 586914627 WWPZARMLFOINJZ-SAIJCYCPSA-N 773.700 7.888 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc2c1 587047178 DEPXOUWQTZPYGF-UHFFFAOYSA-N 544.170 9.624 50 1 KKGF FC(F)(F)CSc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccn1 587091013 FAZBEEKMPNVCAC-UHFFFAOYSA-N 514.261 7.699 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587328529 JLJWNMBROCRXJR-UNMCSNQZSA-N 574.162 6.962 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(N=Nc2ccccc2)cc1 587537887 LJJRLACKJSHMBX-RPLLCQBOSA-N 515.363 7.060 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 587672723 HLZHOUNCGCTVAB-GIPWTMENSA-N 514.620 6.069 50 1 KKGF CCOC(=O)/C(=C(/C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689608 UWHNCMWYVZZLFS-ORTBRZGTSA-N 539.873 5.904 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](/C(C#N)=C2\NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 587694561 MFJDDSMUCCZZHL-MASMMUNLSA-N 572.265 6.263 50 1 KKGF COc1cc2c(cc1OC)[C@]1(c3ccccc3C(=O)c3cccc(NC(=O)[C@H](C)Cl)c31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673878 FFHUDVMRTQWANB-WAUFSOIDSA-N 649.065 6.823 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677858 MWDKZNCOQVPYNK-HJWYETAXSA-N 619.434 5.779 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CCl)(c2ccc3nc(O)[nH]c3c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963037584 KYSMNFXXBWUHIB-CYTLCNBWSA-N 616.020 6.290 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3cc(F)cc(F)c3O)nc(Cl)nc21 963914800 JKOVWTDRVYRJIV-DEOSSOPVSA-N 564.818 5.451 50 1 KKGF CCCCCC[C@@H](Cl)CCCCCc1c(O)cc(CCCCCC[C@H](Cl)CCCC)cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 1772652748 NYUHMGANIQYFOK-BSSIITHVSA-N 633.738 8.181 50 1 KKGF COc1ccc2[nH]c(C)c([C@H]3C(C#N)=C(N)Oc4c(C(C)C)cc(/C=C/C(=O)c5cccs5)cc43)c2c1 1857636048 MRURGSHJQALITJ-NRTJEHLZSA-N 509.631 6.784 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356351154 RDKHWRZFYDQRQQ-VKNCGHKFSA-N 773.068 5.290 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@@]78CCC[C@@H]7C=C[C@@H](C8)C67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@H]41 2356414360 JPMCNBDTTGKXAV-LRPFWWICSA-N 972.372 7.033 50 1 KKGF CC(C)=CCCC(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 2356447874 HZKYWBHFMNTRJC-BTUHRZGOSA-N 628.891 6.052 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356451599 LDBVZEVQQMRLJX-PHEDVJSXSA-N 990.298 8.510 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356530952 XJRGTPCJNAGVTK-RBWFJQBHSA-N 739.010 5.193 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@]47CCC[C@@H]4C[C@H]6CC7)C[C@H]1CC[C@H]3C2)C5 2356636864 YHUMZGPGMULWCL-SMZLYPBLSA-N 993.434 11.655 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356834981 HOFXBTVUUVINSS-LWGRNUDOSA-N 846.105 5.177 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](C1(N3C=CNC3)CCCC1)c1cc2cnc1N 2356850449 PQCUHHVZRDJCGI-JYOVQBEMSA-N 646.879 6.879 50 1 KKGF O=C(CBr)Nc1cccc(Cn2c3c(c4ccccc42)C[C@@]2(O)[C@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)c1 28762739 HDUSMYFDADSZOJ-JJVQHPENSA-N 640.578 5.428 50 1 KKGF O=C(NC[C@@H](O)c1ccccc1)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](O)c1ccccc1 29465780 NMJSTFDGPVQYID-CLJLJLNGSA-N 544.698 5.413 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C=CC[C@H](CC[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@@H]4[C@H]2O)O3)C5)c1O 85567646 CUXNTUMOCPAOEW-QRVNWNBQSA-N 793.013 7.853 50 1 KKGF biogenic,in-vitro CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSSC[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 85571146 UNUFSKHKVCUJRA-IVORRZHWSA-N 808.079 9.322 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC1=O)C[C@H](N=C(N)N)CSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2 85627391 JSLKSBPTICQBCD-OWGRSJDOSA-N 700.968 5.355 50 1 KKGF biogenic,in-vitro COc1cc(/C=C/C(=N\NC(N)=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)C(/C=C/c2ccc(O)c(OC)c2)=N/NC(N)=O)ccc1O 96907926 DCUGPFGFDYPJSF-UKTPBPNDSA-N 757.764 5.735 50 1 KKGF C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@H]3CCSS3)[C@H](OC(=O)CCCC[C@H]3CCSS3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 96924247 SBNMURCHMDQKIX-WSXRHKBVSA-N 709.074 9.298 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(CCCCC1)OO2)NCCCCNC(=O)CC1CCC2(CC1)OOC1(CCCCC1)OO2 103239190 LHYHWAIARIYGOX-UHFFFAOYSA-N 624.772 5.693 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)N1CCN(C(=O)[C@H]2CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C3=CC(=O)[C@H](C(=C)C=O)C[C@@]32C)CC1 169326658 POSQDGKQUKPECC-SLIYWXPVSA-N 911.190 8.400 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 586935063 JMNSUDXUOUOMKV-KRWDZBQOSA-N 642.470 6.097 50 1 KKGF CC(C)(F)[C@@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587087216 NBHSMTHLTHBPMI-QFIPXVFZSA-N 525.330 6.029 50 1 KKGF FC(F)(F)Oc1ccc2c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)n[nH]c2c1 587127161 MWUVGGYNNIPIQM-UHFFFAOYSA-N 523.203 7.425 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587319279 AYNIKOWMWQEGAL-YTMVLYRLSA-N 533.393 6.760 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)CCC2 587325637 GJVHAWRFKSQODY-VEEOACQBSA-N 516.012 6.921 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)O2 587387773 WTZLOGPDSSZLFA-DEOSSOPVSA-N 546.792 5.513 50 1 KKGF COc1cccc(C(=O)[C@H](Br)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587670266 JQMFPLYDPRYPGG-WIDSHULWSA-N 577.288 6.030 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587671946 VZNDZPYEVWTYBC-MDZDMXMASA-N 573.344 7.246 50 1 KKGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C(F)(F)F 587712143 OATOKKQEURQSSU-MGNBDDOMSA-N 511.151 5.788 50 1 KKGF CO[C@@H]([C@H](O)C[C@@]1([C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]2O[C@@]3(CC[C@@H]2C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O3)N[C@H](C)Cc2ccc(F)c(Br)c21)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587833272 MSPMPVMUCKGBKP-BDAFRXDASA-N 981.047 7.548 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]12C=C[C@@]1(C)C(=C2)CC[C@@H]2[C@H]3C[C@@H](C)[C@](OC(=O)c4ccco4)(C(=O)CCl)[C@@]3(C)C[C@H](O)[C@@]21Cl 961780130 DSVLBEBZPYFFQY-QLEONMQRSA-N 872.843 5.887 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(c3ccc(Cl)cc3)[C@H](Br)c3ccccc3)c(O)c2C(=O)O1 962976212 VJXDUWLTYNKFBH-NWALIEGVSA-N 695.393 7.332 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@]5(NCCc6nc7ccccn7c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 962988112 WTVNVIDLTOGFRW-YTYYELJHSA-N 648.892 7.499 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2cccc3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963074143 LRAOMLUZPIGQER-DQMMNQMOSA-N 804.630 9.435 50 1 KKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)c4scnc4C[C@H](C(=O)O)N3C(=O)OC(C)(C)C)c2C)cc1OC 963148059 OYPXFAMWZIQDTG-HRFSGMKKSA-N 562.088 5.297 50 1 KKGF COc1cc2c(cc1OC)[C@@](C)(c1oc3ccccc3c1NC(=O)CCl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963807975 NRXKIDQBUWKESI-YTTGMZPUSA-N 586.044 5.640 50 1 KKGF C(=C/c1ccc(OCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1 1857536205 RNTYIICESKRMFD-QVIHXGFCSA-N 597.803 10.351 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](C(=O)OCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)c3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857594745 YTSFJQGDJPNLBO-GKKXXKEZSA-N 704.195 8.175 50 1 KKGF COc1ccc([C@H]2CC(c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)=NN2C(C)=O)c(OC)c1 1857654664 YSLQUOZMZPGNIT-SKNIMOIESA-N 606.716 5.988 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@](O)(CO)[C@H]1O 2356356646 MUZGNFSIISTFJM-AMNYMEFBSA-N 964.297 5.497 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c4c2OC[C@@H](CO)CCc2cc5[nH]ccc5cc2[C@H]2CC(=C4C(C=O)=C(C(=O)OCC)O3)CCC2=O)O1 2356363419 JKYBHJNPWYKTGX-HMVKAWNESA-N 741.878 6.318 50 1 KKGF COc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@@H]4COC(C)=O 2356372660 JTQUYABNECDMEH-DHBJDBKLSA-N 552.670 6.097 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356374363 UOBZPJNIAIHBCP-PQVWTHPVSA-N 639.968 7.775 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNc3cc(ccn3)C23CCCC3)CCCC1 2356468903 UVXPFUPSHUDVFI-LEHMOFHXSA-N 684.968 9.565 50 1 KKGF CC[C@H](C(C)C)[C@@H](Br)[C@H](Br)[C@H](C)[C@@H]1CC[C@H]2[C@@H]3C[C@H](Br)[C@@]4(Br)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2356494869 VIGXEFRKXGTJRB-AZBMHKLYSA-N 774.355 10.313 50 1 KKGF C[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCC=CCl 2356542173 MRHBLGIXICCSSZ-QAIIKZMUSA-N 513.138 6.324 50 1 KKGF C[C@H]1CSSC[C@H]2C[C@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)[C@H]1C[C@@]3(CC[C@]4(CC[C@H](CO)C4)C3)C[C@@]3(C=CC[C@@H](C)C3)[C@@H]1C2 2356585309 LMUGFHQOWDKHKQ-CYYQXORFSA-N 700.111 10.373 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1O 2356692808 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KOUGJUZPVVBPPM-BRSKACALSA-N 563.661 7.943 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)N[C@H](Cc3ccccc3)C(=O)OC)[C@H]12 2356339665 SHEQTFKRFVRGDB-UKMNOZKMSA-N 643.865 6.939 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCC(CCCO)CC2)Cc2cccc(c2)C1 2356636354 FVOAAAZNNKDQHR-OOPGGQIRSA-N 957.347 6.908 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@@]35C 2356708886 GYGPHXHVVMDRKV-GJEFBPJFSA-N 902.273 8.335 50 1 KKGF ClCc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6n[nH]c(-c7ccccn7)n6)CC5)cc4)nc3ccn12 42835219 LYZNFELLVFJDML-UHFFFAOYSA-N 612.141 6.910 50 1 KKGF Cc1ccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2ccc(C)cc2)OCCN2C(=O)c3ccccc3C2=O)cc1 49888817 RJFWOHSIGIEQLP-ATXIYDNESA-N 678.792 6.986 50 1 KKGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(Cl)ccc2Cl)C2=C1CCC2 103951075 IUGCLRQTNPUANY-LJQANCHMSA-N 510.280 6.512 50 1 KKGF CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O 104375165 CSWYLIDLQDJVCQ-KGXYVENRSA-N 568.795 8.133 50 1 KKGF in-man O=C(Nc1ccn([C@@H]2C[C@H](I)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1 160327593 OLTSJGCPXISYSI-WTGSTYHVSA-N 683.546 6.595 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O 160875883 UGRGSIHNBMMWHX-ZTFLRWDPSA-N 744.160 5.384 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 169294833 UYGBRTWATZPXSL-ZSHVEEIBSA-N 868.037 6.382 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCNC(=N)N)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc12 586936417 MZQDRSHCFVYQFO-LJQANCHMSA-N 605.659 5.722 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587047960 CPUKTFNECROXIF-BDAKNGLRSA-N 508.137 8.561 50 1 KKGF O=C(O)c1ccc(-c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc2F)cc1F 587138733 SLOUHGNYSAUUNA-UHFFFAOYSA-N 555.269 8.293 50 1 KKGF CN(CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193922 INTLOSBHOFMRGU-UHFFFAOYSA-N 523.527 7.644 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCC1=CCCCC1 587328043 SMUMSPPVRBPFOH-JDXGNMNLSA-N 508.033 7.333 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 587377108 QOCAJALUZLUHON-XRKRLSELSA-N 522.041 7.154 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587548906 YHHGHXRLGGFWHM-YZKSBPGCSA-N 667.582 6.273 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587684683 LMTGVSDZLGALFQ-LOKFHWFJSA-N 592.292 6.144 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587692783 LQMCFUMFLWHZGV-XJGKJPHISA-N 669.459 6.499 50 1 KKGF Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587856592 IVFOYAKUEZIOHP-RKOGDMNLSA-N 561.948 6.840 50 1 KKGF CCc1c(CBr)c(CC)c(CC#Cc2cc(Cl)ccc2OC)c(CC)c1CBr 587899070 YSXGBSISAOAPJO-UHFFFAOYSA-N 526.740 7.420 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(c3ccccc3C2=O)c2ccsc2CCN1Cc1cccn1C 962370731 GTGVHDGTXWMICY-ADKRDUOOSA-N 550.511 6.200 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cc3c(cc1F)NC(=O)CC3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674646 FNXLOOMAFKANJL-MUUNZHRXSA-N 576.974 5.927 50 1 KKGF Nc1ccc(S(F)(F)(F)(F)F)cc1[C@@]1(c2ccccc2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963009243 DNWNEWVZRMHHFT-JOMNFKBKSA-N 648.053 8.505 50 1 KKGF CC(C)(C)c1nn(C(=O)CCCCl)c2c1[C@@]1(c3ccccc3-2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963030978 GNMZJMNHXWGQIT-LFBJEGMNSA-N 736.215 8.651 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CCCCCCl)(c2cccc(F)c2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963092829 LRPGCEGISWMEFC-QARUCVQPSA-N 618.192 9.172 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCl)(c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 963168075 FRIUQFXLXXHDES-CLOONOSVSA-N 588.240 7.895 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](C)(c2cccc(N3Cc4ccccc4C3=NC(=O)CCl)c2)N1 963174134 QJCAVUCUZNEKIF-UUJNZSLTSA-N 746.311 7.763 50 1 KKGF COc1ccc([C@@]2(CBr)NCC3(CCOCC3)c3ccc(OC)c(OC)c32)cc1C(F)(F)F 963192961 QXHLCHSUVWNVJE-HSZRJFAPSA-N 530.381 5.021 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)NCCc3ccc(O)cc35)[C@@H]2C1 963353767 SNUKMJQLQGNMDX-HXVHOOQXSA-N 512.065 5.269 50 1 KKGF COc1cc2c(cc1OC)[C@H](c1cc(S(F)(F)(F)(F)F)ccc1Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963818196 SJURYYUWECAJHL-RUZDIDTESA-N 645.444 7.962 50 1 KKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)N2CCN(c3ccc(Cl)cn3)CC2)cc(C(F)(F)F)c1 1857650915 PJZRUSFBEUOUGR-UHFFFAOYSA-N 531.406 5.334 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@H]6C[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC7=C(c8cc[nH]c8)C[C@H]6C[C@H]7SS4)[C@H]5[C@H]2O)O3)c1O 2356292555 TVGRLEZJDKBGPF-GSJCNFHUSA-N 974.298 10.018 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](C5)c3cc(O)ccc3-4)[C@@H](C)CCSS2)cc(OC)c1O 2356619326 BJYFBYIHRWOECL-DLENDGJDSA-N 666.858 6.961 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@@H]2O)c(O)c(OC)c1O 2356634319 FIAPBEXBCPVUES-WXQGRYFPSA-N 710.867 6.120 50 1 KKGF COC(=O)CCCCCCC[C@H](O[Si](C)(C)C)[C@H](CC=CCCCCCO[Si](C)(C)C)O[Si](C)(C)C 2356661964 WIZYORSJSLAYHG-SVBPBHIXSA-N 561.041 8.689 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356671388 XTYNQBOCOYPOLQ-HDBCQCSRSA-N 801.044 5.834 50 1 KKGF COC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(C)(C)O[C@]1(C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356696581 GTVKPMXVFZOWFH-HYXQALNQSA-N 646.941 8.741 50 1 KKGF CC(C)=CCC[C@H](C)[C@]1(O[C@]2([C@H](C)CCC=C(C)C)CC[C@]3(C)C[C@@H]4C(C)=CC(=O)[C@@H]4C(C=O)=CC[C@H]23)CC[C@]2(C)C[C@@H]3C(C)=CC(=O)[C@H]3C(C=O)=CC[C@@H]21 2356780700 GASPABWMCIDBPK-WGDFIMLYSA-N 751.105 11.439 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356816556 DCLDSGHNPOJCRL-OIERWLNJSA-N 857.108 5.363 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356825660 HTNBJJWHTMYDEF-NQRVTCLYSA-N 521.701 5.299 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356835064 KNYCWEQTFFUEEF-IMZNNHRTSA-N 934.234 8.324 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](Cn1ccnc1)C1=CC2=CN[C@@H]1N 2356862093 UWUPVSIDSSOCIC-BRLVVQKFSA-N 592.787 5.129 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CC4(CCCC4)C[C@@H]1C=Cc1cncn13)C1=CC2=CN[C@H]1N 2356865281 WKJJXIWVVXJKTQ-VNINGMFJSA-N 724.993 7.822 50 1 KKGF O=C(CCCCCBr)N1CCC(C[C@H]2CC(c3ccc(Cl)cc3)=NO2)(C(=O)NCC2CCCCC2)CC1 38140377 SMNNGYQWMGYHMJ-RUZDIDTESA-N 595.022 6.484 50 3 KKGF CCOC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145601 LSUFEPKBPIBSRR-AEJPQZKHSA-N 519.726 6.769 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(Br)s2)cnc2c(C(F)(F)F)cccc12 49761920 IELHPLJTSFSKIA-HPTHUDDHSA-N 664.573 6.893 50 1 KKGF CCO/C=N/C1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(CC(C)(C)CC2=O)N1c1ccc(S(N)(=O)=O)cc1 64553053 ILUQMHBWURRYNG-ZOWVIHBMSA-N 539.057 5.034 50 1 KKGF CC1(C)CC[C@]2(C(=O)n3ccnc3C#Cc3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 72129932 CPJPLLAYGKKAJN-LMEPXCORSA-N 641.856 8.143 50 1 KKGF CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(O)c(CO)c1 85597374 JTGWBSDVKNKXEJ-XVODIUIHSA-N 663.858 7.385 50 1 KKGF biogenic,in-vitro Nc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(N)c5ccccc65)cc4c3)ccc2[nH]1 95550136 MHWKSYHMRXRKFJ-WMPKNSHKSA-N 807.742 9.730 50 1 KKGF Cn1nc(C(=O)N2C[C@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)nn1C 95551363 QNMREJCPAUCHMX-PMACEKPBSA-N 797.616 6.886 50 1 KKGF CCCC[C@](C)(C/C=C/[C@@H]1[C@@H]([C@@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C 195419970 CDLLQQUCUNYKKE-YUWNXQLXSA-N 584.987 7.813 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 195435941 AXFXUNAOEBMYIL-ZUBSTQGUSA-N 588.861 5.547 50 1 KKGF CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@H]1C 253647133 PTYVCIVEJQEWFZ-SGNOBQQVSA-N 879.828 5.734 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057551 VHOSQTDBHOYCBT-OQLLNIDSSA-N 539.366 6.635 50 1 KKGF COc1ccc(Br)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319540 CALYIVSYMGFCDX-FYYLOGMGSA-N 536.191 5.952 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587334789 YYFGTDHJDYEPBM-UGKGYDQZSA-N 513.256 6.339 50 1 KKGF CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587375516 UMZUJAVDYGUIFG-BIMVPBQRSA-N 618.170 8.249 50 1 KKGF O=C1C[C@@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587510902 ZBYXZNHWNBZKRP-HXUWFJFHSA-N 507.268 6.859 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587688962 OMDPONXEUFKUBR-QFDBLCPBSA-N 562.266 6.178 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 587711808 MKFHALBAOCGJHL-XLFHBGCDSA-N 549.122 6.799 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2scc(Br)c2Br)N1 587844082 LZNZRISXDWEHSC-KWKYVRJSSA-N 532.498 6.191 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850168 XSVFVIHBTQMAKJ-RBHXEPJQSA-N 556.089 5.330 50 1 KKGF Cc1ccccc1-c1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587959016 KMZJCLLGVGXGPQ-UHFFFAOYSA-N 503.334 8.549 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)CCl)[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 653727990 GGBRDAUMUXSKBB-RAFPFBLHSA-N 625.674 7.784 50 1 KKGF ClC[C@@]1(c2ncc(Cl)cc2Br)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640985 MSOMPOIGEPNKPI-YKSBVNFPSA-N 503.271 5.727 50 1 KKGF COc1cc2c(cc1OC)[C@@H](c1ccc(OCCBr)c(OC)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962681291 VFRDMVZJJFLNJT-AREMUKBSSA-N 594.424 6.293 50 1 KKGF CC[C@H](Cl)CCn1cc([C@@]2(C3C(C)(C)C3(C)C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc21 962959041 RBLHUDGBDWJCOZ-ULKXQASOSA-N 587.170 8.645 50 1 KKGF Cc1ccc(S(=O)(=O)C[C@]2(CBr)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963074128 LNUKEPZLWZVNDH-XQUWYEIYSA-N 846.689 8.016 50 1 KKGF COc1cc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)ccc1C 1772608402 QHSATOFQTDIKPG-QHCPKHFHSA-N 512.450 5.980 50 1 KKGF N#CC1=C(c2cccc(Cl)c2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772649159 XCTJHHLMYAMZGZ-NRFANRHFSA-N 502.842 6.316 50 1 KKGF CC1(C)CCC[C@@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](O)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]4CC[C@]23C)O1 1772658131 UWEWBTAQWKFICP-ODIQUPAJSA-N 581.676 7.687 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@@]3(CNc3ccccc3)CC[C@@H]2[C@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 1857755087 YZCKXWLKSYJQRY-GCXCVHSYSA-N 722.011 7.450 50 1 KKGF 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O=C(O)[C@@H]1Cc2occc2[C@@]2(CCCC[C@@H]2CNCCBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963205717 XQQXMBLDTPRXDU-CVYBAQLYSA-N 593.518 5.910 50 1 KKGF COC(=O)c1ccc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1F 1857536842 BJGCIBDLRRVILI-UHFFFAOYSA-N 613.774 9.276 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H]3Cc4c5cc(c(c4O[C@H]3O)OCN[C@]3(CC#C[C@@H]2NC(=N)N1)CCC[C@H](Cc1cccc(O)c1)C3)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC5 2356364275 RWSWBSKUPXGNRH-UNTSQVQOSA-N 953.237 6.112 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356368291 OHABMJGSMXJYBE-VEXZABHESA-N 910.249 8.008 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)c6cc[nH]c(=N)c6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@@H](OCCO)CCCC1 2356395138 MPEHMOXGUKZGAH-JGFPJZMPSA-N 818.115 6.491 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356415675 SAUYSCRSSSRBBY-VKUKXFJCSA-N 801.122 5.988 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](C(C)C)Cc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOC)C3)c2)N1 2356465896 KYTSJXIJXUBRGZ-JRHCASIQSA-N 769.087 7.589 50 1 KKGF C=C(C)[C@H](CC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@]4(C)C(=O)O)OO 2356504065 DBWPILOLPUDSNJ-GGNHETHFSA-N 504.708 5.673 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5CCC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)C5)c1O 2356558544 CNBPCPLXAUGPJI-HYZLBROESA-N 795.029 8.077 50 1 KKGF COC(=O)CCCCCCCC[C@H](I)CCCCCCOC(=O)CCCCCCCC[C@@H](I)CCCCCCI 2356626239 PRINCSJYZDAODI-JSOSNVBQSA-N 902.559 11.887 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@]21O 2356642738 SDTYTGWVHDTFPD-WCNKQAJQSA-N 857.280 9.821 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)COC(=O)C(C)(C)C 2356700452 MUTVNXBVNLPRDD-YLJIOKHPSA-N 640.975 7.984 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@@H]2O)c1O 2356779017 JHANTRWCLZMOHY-XRFAATBQSA-N 740.937 7.124 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)C[C@@H]2O[C@]2(C)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)O1 2356794552 LGGTUGXQWLUADZ-OJNUGQHZSA-N 603.635 5.200 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SS[C@H]3C=CC4=C(NCC=C4[C@@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356810557 AYRKPYUVSHQZIF-YYOKZKMCSA-N 965.292 7.912 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC(=CCN4)[C@]4(CCC5(CCCC5)C4)[C@@H]4CC[C@@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356820364 FKEBKLRZMAAWLL-NDQDLGNBSA-N 871.087 5.158 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CC[C@]7(CCCC78CCCC8)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(C)=C2OC)[C@@H]4C)c1 2356848063 PCDTXIOXHLDHQH-NANUANTGSA-N 802.200 10.941 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)Br)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1 72148947 SKIHYPQTROYIIT-VHXXJFIISA-N 665.301 7.602 50 1 KKGF in-vitro CNCc1cccc(C[C@@H]2CNC(N)=N[C@@]23CC[C@H]2CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]5CC6=C2C(=O)C[C@@]64[C@@]5(C)CCSSC3)c1 150342301 FKAWGRZMQNXGSM-MMTKYBMQSA-N 731.132 5.707 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCC#Cc3ccc(C#CCCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309820 YWSALYONOOFRNJ-LNGJLCJZSA-N 746.938 7.619 50 1 KKGF Cc1cc(C)c(P2/C(=C(/O[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C2(c2ccccc2)c2ccccc2)c(C)c1 195497816 JKIZFOYAYZIYPM-XAHDOWKMSA-N 570.874 11.126 50 1 KKGF COC(=O)c1cccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587189239 AEIGSBCTCBWAGP-NUBKOYIASA-N 619.803 6.381 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326094 JTLMFSHSNUQEIA-YTMVLYRLSA-N 536.386 6.665 50 1 KKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326996 NTRVLNRMQBRXBI-SVEHJYQDSA-N 510.989 6.255 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541308 ATVWIBANRONWOX-QNOKYYONSA-N 525.944 5.408 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2ccc([C@H](C)CC)cc12 587642300 MTPXYRQIXLLVDN-BLFZMVNJSA-N 654.219 7.591 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 587672167 DKCIQJXFIRTBFG-IPGJOTQUSA-N 579.392 7.223 50 1 KKGF CCOc1ccc(-c2nn(C(=O)CCCCCCCCCCC(=O)NN)c(=O)c3ccccc23)cc1OCC 587672565 XNCSDURVIIFHNS-UHFFFAOYSA-N 536.673 5.392 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587688348 LQYNVAJUMCHTKA-OLRZCDJHSA-N 571.922 5.810 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CC[C@@H](C)C3)N1 587858257 PPBOBUNRSKOCSM-PVQQOCSKSA-N 618.056 8.075 50 1 KKGF CCCC[C@@H](CC)COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)cc1CBr 587874773 GJWZNWHSPVUBJC-HXUWFJFHSA-N 583.394 7.397 50 1 KKGF CCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653698670 ZQZIRLKOQIEDDG-IBGZPJMESA-N 540.860 5.451 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1ccc(I)c(F)c1Br 962402386 ZXMXJUUYBGFXEY-HXUWFJFHSA-N 624.155 6.290 50 1 KKGF FC1(F)Oc2ccc([C@@]3(CBr)c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)cc2OC1(F)F 962629713 CELVEKLMDYOWSK-BWKNWUBXSA-N 563.389 6.029 50 1 KKGF COc1cc2c(cc1OC)[C@@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]31C)N(C)[C@@H](C)C2 962639203 PSGIKHBHKOUPFZ-HULRVGFASA-N 646.652 5.956 50 1 KKGF C[C@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H]1c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962965776 IOJSIIKGEDMKJW-AQEWKIECSA-N 698.288 6.305 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CBr)c1ccc(F)cc1C(F)(F)F 962987015 KOXUQDOZGMJLHE-MHZLTWQESA-N 628.844 6.811 50 1 KKGF NC(=O)COc1ccc([C@@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963083208 NZOKHODWYSZEGK-STBUXKTCSA-N 783.170 6.990 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1c(Br)ccc(Cl)c1F 963135613 FBGSAEZECVUCFU-BUXKBTBVSA-N 584.689 5.583 50 1 KKGF O=C1C=C(OCCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C=CC1=CO 1857537497 AMBVHJXZHKAGHI-UHFFFAOYSA-O 595.784 9.143 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356293900 MDICNXLHDFEEMJ-YIWIHEKUSA-N 813.055 7.059 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C(=O)Cc4cccc5c4CC(=O)N[C@@H]5N)CC[C@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356353672 BILODWGXWBUWGW-DKRJCHIUSA-N 787.101 6.758 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@H](CC(C)C)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356356176 KDXSXOLKKDFRIF-IGWFKJKSSA-N 818.108 5.995 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@](C4)([C@@]36C)[C@]21O 2356360780 NYDLYIMZZWFMTA-UOABLDHVSA-N 595.871 6.238 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 2356369183 WAOKXHBQRKUUDK-FRAJGCIRSA-N 892.153 7.923 50 1 KKGF C[C@H](O)CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2 2356478916 YACCWXCUZWEBRG-USEQLTSVSA-N 864.143 7.927 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@@H]41 2356490092 WQPZBDVDAHNQIG-BIJYAALDSA-N 948.350 7.011 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356703462 DPWKQRXQDOHLOW-HCDDUNTGSA-N 899.178 7.793 50 1 KKGF O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23C=CNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@]2(C=C1Br)CCNC1=C2c2nccc3c[nH]c(c23)C1=O 2356741963 HDDXRVGNFMMKJS-XDSPJLLDSA-N 826.552 6.249 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)O[C@H](C(N)=O)C(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1C1=CCN=C1 2356859551 SVWBMFWKXUKIOH-ZJWFVZOFSA-N 897.061 5.262 50 1 KKGF COC(=O)N(NC(=O)c1c(CC2CCN(C3CCOCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126754 XCHBXYOIQFUWBY-UHFFFAOYSA-N 578.713 6.253 50 1 KKGF CC(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@@H]3CCl 49723178 SMSGKARSVYZHOQ-SFHVURJKSA-N 535.000 5.355 50 1 KKGF COc1ccc(/C(C)=N\NC(=O)Nc2nc(-c3ccc(Cl)cc3)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1 49803676 UMVXZDIJYPAWBM-ACXHZZMFSA-N 516.945 5.927 50 1 KKGF COc1cc(/C=N/NC(=O)Nc2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)ccc1O 84635293 VPFNFYFMQHXQMQ-KPGMTVGESA-N 663.326 6.448 50 1 KKGF CNC[C@@H]1CC[C@@]2(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@]5(C)CC[C@@H](SSC5)[C@@H](C4)C[C@H]3[C@]3(C=CC[C@H](C)C3)C2)C1 85543456 WQDKZOIIBMSNIE-BEPZVUQPSA-N 685.100 9.962 50 1 KKGF biogenic,in-vitro C[C@]12CCSSC3(CCC4(CCCC4)CC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 85549324 RDUGIGDGYPQHKY-TVIQOFONSA-N 629.977 6.545 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCC1)c1cccc(CO)c1)CC(=O)CC2 85597401 XQXMYDPXOIVRBT-DKFWVONXSA-N 701.951 8.992 50 1 KKGF biogenic,in-vitro N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@@H]1c1ccc(Br)cc1 103174448 COAMPALGTKJNPT-YCDBXGQUSA-N 559.261 7.148 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccccc4C)C(=O)N3c3ccccc3)s2)cc1 103179002 NDKHIZJFSLXDGJ-JLFGYZAPSA-N 583.695 5.843 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(C(F)(F)F)cc1 103950386 VRBSFJFPNGCOKP-GOSISDBHSA-N 573.381 5.978 50 1 KKGF C/C=C/C(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](OC(=O)CCl)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 169292012 XKIVCXOIUHAZSR-YWCHSRBMSA-N 956.438 5.082 50 1 KKGF CC(=O)OC[C@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2[C@H](OO)C=C2[C@@H]3CC(C)(C)CC[C@]3(C(=O)O)CC[C@]21C 238732753 UKENQNLKEMTBEX-YHYYFTSJSA-N 588.782 6.816 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccsc2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253695861 ZUXDAZANGKORIH-BNYSYSJDSA-N 579.542 5.909 50 1 KKGF CC[C@H](C)C1=C(C=O)C[C@]2(C)[C@@H](CC=C(C)C)C[C@@]3(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H]12)C3=O 473135860 UMWJFTBXLSDEAV-SXGFMIMASA-N 522.726 7.063 50 1 KKGF COc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C 587046333 GDIBDQOGBJNMCH-SNAWJCMRSA-N 561.798 8.850 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](COC(=O)CC)([C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]31C)CC2=O 587470130 DPJIZZYMYXHGPE-CWOSBASXSA-N 701.228 6.140 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCCl)c2c1 587618053 NEGAPFILTOPTIX-UHFFFAOYSA-N 542.057 6.631 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587858419 QFQVRUULHLQFOF-WZQKQDCOSA-N 547.921 6.532 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962408169 VTZLQSYGJFRZJM-ZUECTMELSA-N 662.378 7.132 50 1 KKGF Cc1c(N/C=C(/C#N)[C@@]2(C(C)(C)C)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(=O)n(-c2ccccc2)n1C 962567143 CLKUCAQEALQYPQ-BENNSJQBSA-N 708.819 6.901 50 1 KKGF CCOC(=O)[C@]1(CCCCCl)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962670622 HDNGSCMOGXZQFK-VWLOTQADSA-N 527.967 5.589 50 1 KKGF COc1ccc([C@@]2([C@@H](C)Br)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962719596 UHRXHRCMBSCTFY-JYNJTEHLSA-N 704.612 6.839 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)cc1Cl 963135927 GFUCQDBMAUYAIX-RKOGDMNLSA-N 559.888 5.674 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 963159788 RLKKNHTWYZFWBN-VZZHGAMSSA-N 676.216 7.542 50 1 KKGF CCc1cccc(-n2c(C)cc([C@@]3(CCl)c4[nH]c5ccccc5c4C[C@@H](C(=O)O)N3C(=O)c3ccccc3)c2C)c1 963421550 ZMZRFRILGQPFIP-NHZFLZHXSA-N 566.101 6.772 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)[C@H](O[C@@H]5CO[C@@H]6[C@H](O[N+](=O)[O-])CO[C@@H]65)C(C#N)=C(OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 1772623575 HJQJCFBPIJRXED-ZBCOFSPGSA-N 738.875 5.829 50 1 KKGF COC(C)(C)CCC[C@@](C)(OC(=O)CBr)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 1857774578 XJHHAJJFSMRPLO-DDSRACOCSA-N 613.718 7.295 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 2356349730 MWUBNNGZDVAADV-NYWKNWSTSA-N 650.815 7.224 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H]2c3cc(OC)c(O)cc3CC[C@@H]2SSC[C@H]1c1cc[nH]c1 2356352992 FQMLXFFUEJOKFX-UMRWJQPWSA-N 531.740 6.394 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@@]21O 2356364493 VGYVCBIZWZDRHT-WBMPKTHMSA-N 906.357 8.754 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@@](C)(O)[C@@]3(CC1)[C@H]2O)CCC=C(C)C 2356368518 LPOOTXOHIQWMRZ-SMPJQSMZSA-N 512.731 5.504 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CCC=C(C)C)[C@H](Br)CC[C@]2(C)[C@H]1Cc1cc(C(=O)O)cc(Br)c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c2cccc(c2)C1 2356767390 CJRVOXTWIMJWGH-PIYPMDTGSA-N 801.122 6.334 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@H]5CO)[C@H]4CCC[C@@H](C4)SS3)[C@H]2O)c(O)c(OC)c1O 2356769009 UPUOMSALGOGYLS-GXRUMXFASA-N 738.921 6.733 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C(=O)Cc2cccc4c2[C@H](NC[C@H](C)O)C(=O)N[C@@H]4N)CC[C@@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356770721 GLRCZMGDYAPOFX-NLJZQDRASA-N 860.196 6.227 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNC7=CC(=CCN7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356864213 VSOBCDYTXOFIRU-ZOBLWSTFSA-N 702.983 8.086 50 1 KKGF CC(=O)O[C@@H]1C[C@@H]2CC3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(N)=O)[C@@H]21)OOC1(CCCC[C@H]1C)OO3 64373407 VZZJOVZVJPTEMN-JVHGGOOESA-N 575.787 6.601 50 1 KKGF COc1ccc(/C=N/NC(=O)Cn2c(-c3ccc(N(C)C)cc3)cc(-c3ccccc3)c2-c2ccccc2)cc1 66074844 ZKHRGFGMWHULFI-QCFMCPCVSA-N 528.656 6.714 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597355 TWSLQAZHPDXUBG-KBPOQJSISA-N 787.057 9.383 50 1 KKGF biogenic,in-vitro C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCC4(O)CCCC4)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 103525635 XPHWCOOGJHTUGU-RIBXIAKSSA-N 576.818 6.694 50 1 KKGF biogenic,in-vitro CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@H](O)[C@H](C4CCC(C[C@H](CO)CCCO)CC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344072 NFOWMKPCTDKALR-CAXRJLNUSA-N 940.238 8.638 50 1 KKGF biogenic,in-vitro CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 238756484 OKJNXNRPQNRJBB-KHBAMMCISA-N 737.163 12.976 50 1 KKGF CCNC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCC(C)CC1)OO5 254145239 LFYVETSPEPPKAU-OIBXSEFKSA-N 661.877 6.794 50 1 KKGF CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O[Si](C)(C)C)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 299810422 WLFZGWHFSSYBPC-ZJYGDCDFSA-N 926.101 5.595 50 1 KKGF COC(=O)c1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c(F)c1Nc1ccccc1 587010024 ZMUNHLQAPUHEAO-NRFANRHFSA-N 519.964 5.352 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3c4c(nc5ccccc35)/C(=C\c3ccc(Cl)cc3)CC4)nc2c1 587074829 DBZSQHSMNUPECI-PTNGSMBKSA-N 612.849 10.338 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587319155 AKDCCLZRBRLKCY-NYEJTYJQSA-N 501.348 5.586 50 1 KKGF Cc1cc(C)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)c1C(=O)CCl 587326003 JDMJTKIXAIKPLY-AHKZPQOWSA-N 501.381 6.371 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 587543136 JGEHJSAGBQCTMP-BHBYDHKZSA-N 502.010 7.019 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587690137 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Cc1cc([C@]2(CCl)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)c(C)n1CCC(C)C 963914257 GNOHHNIDQGVNNZ-GDLZYMKVSA-N 555.554 6.776 50 1 KKGF O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccc(N6CCOCC6)cc5)cnc34)cccc2c1 1772656610 LVFIFRMFZBIODZ-UHFFFAOYSA-N 754.982 8.269 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356367802 HRDNAMNKTPWRTQ-YLPFEBNSSA-N 844.146 6.529 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356524087 PQIPLOUNOJQDMR-YSLDSNRYSA-N 850.116 9.031 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356541127 OSBNGOHIYXYKDI-AFPNWNQWSA-N 784.146 6.023 50 1 KKGF 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CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H]3NCC[C@](Cn4ccnc4)(SSC1)C3=C2 2356814307 BZXJQLRBPBXODC-QZMVANBVSA-N 620.841 5.760 50 1 KKGF COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])n5C)c5ccccc5c43)[nH]c2c(OC)c1OC 27636888 DUQWEPPYHQNMEN-OAQYLSRUSA-N 648.072 6.325 50 1 KKGF C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 44360644 NXJXTJMPAPYPQU-TYHGNQNSSA-N 626.746 9.312 50 1 KKGF O=C(NNC(=O)C1(C(F)(F)F)CC1)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1Cn1cncn1 49746907 IGGZZGUWEXYLBM-UHFFFAOYSA-N 598.800 5.243 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@@H]3CCl 82182208 OPQNJWHDOOQHIJ-VXKWHMMOSA-N 735.665 7.918 50 1 KKGF CCCSS/C(CCO)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCO)SSCCC 84759378 HFYGZUUUDJOBJH-ZUELCTOOSA-N 637.056 8.615 50 1 KKGF CO[C@H]1C=C(O)[C@H]2[C@@H]3[C@H]4CC[C@]56C[C@H]7CSSC[C@@H]([C@H](C)O)Nc8cccc(c8)C[C@H]7[C@H]5C=CC[C@@](C4)([C@@]12O)[C@]36C 103575156 NYDLYIMZZWFMTA-SENWDJQKSA-N 595.871 6.238 50 1 KKGF biogenic,in-vitro CC(C)(C)c1cc(CN(Cc2ccccc2)C2=NC[C@H](CI)S2)cc(C(C)(C)C)c1O 103948464 SUSIBZRGTKHVED-FQEVSTJZSA-N 550.550 6.896 50 1 KKGF CC[C@@H](CC=O)CC[C@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSC/N=C(/NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@](CNC)(C[C@@H]2C[C@H](O)OC)O3)C12CCCC2 150347310 WHVXIKJOUVILHP-KJSDLZGHSA-N 945.302 9.180 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 150348630 KATCNOIIRBNKPJ-GIKNVQCYSA-N 913.304 10.024 50 1 KKGF biogenic,in-vitro N#CC1=C(NC(=O)c2ccc([N+](=O)[O-])cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 150559124 OPYKLRKGNIZVTJ-AREMUKBSSA-N 638.489 5.325 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(OO2)[C@@H](C)CCC[C@H]1C 169297828 UMAJEIMJMARHQF-HAWALGAISA-N 662.861 7.077 50 1 KKGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 169310095 YZDIEMQCWAPOCJ-HHHXNRCGSA-N 515.621 5.307 50 1 KKGF C[C@@H]1[C@H](CC(C[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]53OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 169615613 CRSJHIRCVZDTHB-ZZQHJRLHSA-N 832.066 7.556 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N 195376281 PHESCLMCWLBGMY-ZGXDEKTJSA-N 571.885 5.239 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195497577 JEVRXFJEOXKKDH-OQLXKQOESA-N 712.891 6.841 50 1 KKGF O=C(N/N=C/c1cccc(Cl)c1Cl)Nc1ccc(-c2nc(NCCCN3CCOCC3)c3sccc3n2)cc1 299820717 CUUDYXHBIKUJIF-KBVAKVRCSA-N 584.533 5.955 50 1 KKGF COc1ccc(S(=O)(=O)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586920342 IZQASAXFPQRIGT-UHFFFAOYSA-N 507.300 5.965 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 587183340 CMRUILPVCWJQJZ-PLNGDYQASA-N 551.116 7.758 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587328525 JLJWNMBROCRXJR-IRLDBZIGSA-N 574.162 6.962 50 1 KKGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@@H](C)Cl)c(Cl)cc41)[C@@H](C2)C3=O 587419765 ZKQRSQMLKGFPMS-FUVRAYFUSA-N 508.357 5.150 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587686822 XQIDZRKRVVWBTP-SOKVYYICSA-N 511.866 7.246 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587842354 DYEHBCIVXLTLLL-PHXCCWLDSA-N 578.076 7.715 50 1 KKGF Cc1cc(C(=O)NN=Cc2ccccc2O)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 587884643 PGDDJHDNSYUZGD-UHFFFAOYSA-N 545.426 5.030 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)C[C@H](O)CCCCCC[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 587941197 RWDQMRKZLMRYNS-KHHHOAIKSA-N 813.386 5.216 50 1 KKGF CCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653698671 ZQZIRLKOQIEDDG-LJQANCHMSA-N 540.860 5.451 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(c3cc(Br)cc(F)c3C[C@H]1Br)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683513 YOGZRXYKLLQESN-RSXGOPAZSA-N 643.269 6.886 50 1 KKGF Clc1cc(Cl)c2c(c1)[C@@](CBr)(c1ccc(-n3cc(Br)cn3)cc1)NCC2 963102722 FFPVUYNZRSAOCY-LJQANCHMSA-N 516.064 5.726 50 1 KKGF COc1ccccc1NC(=O)C[S@@](=O)c1nc2cc(OC)c(OC)cc2c(=Nc2c(Cl)cc(/C=C/C#N)cc2Cl)[nH]1 1857553325 KHERGPJPAAYEGZ-KBGUQOCTSA-N 612.495 5.411 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c1[C@H]1C(C#N)=C(N)N(Nc2ccccc2)C2=C1C(=O)CC(C)(C)C2 1911586590 PIQXUKKXLRPEDC-SSEXGKCCSA-N 624.667 7.755 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356292278 MVXNDHSRIFXHJF-SMSRQRKQSA-N 875.215 7.764 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356301145 RGHULZQWQPBEKZ-ZEACJORYSA-N 941.318 8.420 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Br)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@H]3CC[C@@]1(C)O3)C2=O 2356336942 UGEWFNIBLSXHJU-FOUKYUHESA-N 555.893 5.448 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(CCl)=C[C@H](O)[C@@]4(C)CC[C@@]23C)C1(C)C 2356466904 WLMOBFMSWMCZEY-HPGWLDICSA-N 519.210 7.785 50 1 KKGF C=C(CC[C@@H]1O[C@H](C(C)(C)O)CC[C@]1(C)O)[C@@H]1CC[C@@H]2O[C@H]([C@@H]3CC[C@@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356569273 WENCEJQJQNEFLN-OMDPDAFGSA-N 573.609 5.599 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2[C@H](N)C[C@H]3C[C@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)[C@H]6C=C[C@@]8(CCC[C@@H]8C6)[C@@H]7CNC[C@@H](C)O)c5)cc4CO)CC[C@@]24C=C[C@@H](C[C@@H]34)[C@@H]1C 2356587641 RSFZAYVEIXNMSA-NUNNLCGQSA-N 997.426 8.619 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C)=CC=CC=C(C)C=CC=C(C=O)CC[C@H]1C(C)=CC=CC1(C)C 2356589349 FXJMSBSQWHKYLZ-BCRBLDSWSA-N 566.870 10.612 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@H](C)N[C@H](O)C2=C[C@H]1CCC2 2356637085 GQGZUQYWRNQNSJ-SVMODYQWSA-N 717.004 5.251 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@H]2CC[C@@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356639533 UMTFJRSOKDQKEG-LKOLQCMFSA-N 692.900 6.583 50 1 KKGF COC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H]1OC(C)(C)O[C@@]1(C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356696583 GTVKPMXVFZOWFH-UGYOBGJSSA-N 646.941 8.741 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCO)(CSSCO4)[C@@H]85)C[C@]4(CCCC45CCCC5)C[C@@H]7NN6)[C@@H](O)[C@H]3O)c2c1O 2356779995 ZYZNSDALSWQHRA-KMGKUWEZSA-N 929.164 5.317 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356837980 LPBXOWKVOYZSER-OGXSABJYSA-N 826.094 7.627 50 1 KKGF O=C(Nc1cc(-c2ccccc2)ccc1N1CCN(C(=O)CCCC[C@H]2CCSS2)CC1)c1cccc2ccccc12 14962047 AHMSLYTXWAPXRM-LJAQVGFWSA-N 595.834 8.122 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@@H](CO[P@@](=O)(O)Oc1cccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1)OC 49637802 PFJZPQBLAXKKFG-WBCKFURZSA-O 761.941 11.189 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cccc(OC(F)(F)C(F)F)c2)cnc2ccc(F)cc12 49746469 VOXWONKBOAYIHH-NDSXLRLRSA-N 645.654 6.426 50 1 KKGF C[C@H](C(=O)OC[C@@H]1C[C@H](Cl)C[C@H](c2cccc3ccccc23)O1)c1cccc(C(=O)c2ccccc2)c1 96914011 NGBHIVGGNZOOAA-SDIAACPYSA-N 513.033 7.245 50 1 KKGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCN(c5ccccn5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 103292664 RNUUIDACTZIFHW-LLOXLXCYSA-N 629.596 5.247 50 1 KKGF O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@@H](Cl)c2ccccc2)cc1[C@@H](Cl)[C@@H](Cl)c1ccccc1 105491732 BCPUHZDSXYHLJT-FNAHDJPLSA-N 514.192 8.023 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C(=O)O[C@@H]1[C@@H]3[C@@H]1CC[C@@H]4[C@@H](O)C1 150345621 OOXQONXFQNHNLB-VKVVBZPESA-O 862.023 5.870 50 1 KKGF biogenic,in-vitro C[C@@H](NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O)SS[C@H](C)NC1=C(F)C(=O)c2c(F)c(F)c(F)c(F)c2C1=O 150538541 RWWKDFOKWIRTOJ-ZXZARUISSA-N 644.468 5.872 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@H](COC(=O)c3ccncc3)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299806442 QPNLRZTXRIDAFS-NWBVVMMGSA-N 711.893 7.136 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299833464 YCOIJPSIDUQDNN-KSFRUJBTSA-N 812.448 5.694 50 1 KKGF CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 299836526 NNUYWCYIURXCBY-YMGMXPECSA-N 584.669 6.450 50 1 KKGF O=S(=O)(Nc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cc(F)ccc1F 587140471 LCKUHRGLZZRXKN-UHFFFAOYSA-N 590.340 7.729 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 587183341 CMRUILPVCWJQJZ-SNAWJCMRSA-N 551.116 7.758 50 1 KKGF Cc1c(Br)cnc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 587190672 MKOPBQFYCMWQLG-MKZYOMLNSA-N 655.678 7.061 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2Br)[C@@H]1c1ccc(F)cc1 587333484 KOCKKWMAAPOBOY-IRLDBZIGSA-N 524.155 6.082 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 587674224 VADSWPBGCFUNOE-MQNRADLISA-N 529.247 7.055 50 1 KKGF COc1ccc([C@]2(CCCCCCCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 962400541 FZLGFIVRDGZXIQ-VRLMBGIESA-N 655.191 7.792 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CBr)(c2c(F)ccc(Br)c2F)N1 962693424 FXFVEQYBDXFORW-GUYCJALGSA-N 547.087 5.123 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2ccc(-c3ccccn3)s2)N1 962699463 OLVRBYHCRCRWQE-OXJNMPFZSA-N 515.326 5.205 50 1 KKGF CC(C)(C)[Si](C)(C)OCC1=C[C@]2(C(OCc3ccccc3)=C(C(=O)O)O1)c1[nH]c3ccccc3c1C[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 963007147 CAYBRVKQHAHBLU-WAQHJAAWSA-N 715.275 7.617 50 1 KKGF COc1ccc2c(c1OC)[C@H](c1ccc(O[Si](C)(C)C)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963777841 QJMXJBXJZIDPSY-MHZLTWQESA-N 528.681 5.756 50 1 KKGF CCN(CC)c1ccc(/C=C(\C#N)C(=O)NCCNC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@@H]43)C2)cc1 1772582411 KITXGBXFOHWMKG-IODBCVRCSA-N 628.858 6.819 50 1 KKGF CC[C@H](C)[C@@H](c1nc(C(=O)OC)co1)n1cc(C[C@@H]2C[C@H](CCc3ccccc3)C[C@H](O[Si](C)(C)C(C)(C)C)C2)nn1 1857592018 UWMDIGGHAZHIQG-HCTDPNQWSA-N 594.873 7.670 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857597153 HGCHWGSXLPWZDO-MRXNPFEDSA-N 581.425 6.545 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCN(CC3CCCCC3)CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857601751 SJDKIPUEAOCIBX-BQCHXNBLSA-N 698.002 6.292 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@@H](c3c(C)nn(-c4ccccc4)c3Oc3ccccc3F)C3=C2CC(C)(C)CC3=O)cc1 1911572124 RRPRBCUNPMRFNM-HKBQPEDESA-N 604.686 6.884 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@](C4)([C@@]36C)[C@@]12O 2356308763 WIDIQTFKYQESKU-UOABLDHVSA-N 595.871 5.755 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c2c(c(O)c(CNCCCO)c1CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@@H]1C=C2 2356327911 LFWGYIQEJPMDFM-ILUZJOMGSA-N 987.254 7.584 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356354228 HQWLZJXSSIRTNC-GJKISUOZSA-N 769.124 7.514 50 1 KKGF CNCc1cc(O)cc([C@@H](NCCCCO)O[C@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356355447 UMDASOIAISPYIL-QQLMSYFVSA-N 734.981 7.755 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@](O)(CO)[C@@H]1O 2356356648 MUZGNFSIISTFJM-KENASPSISA-N 964.297 5.497 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC13CCCC3)CC[C@H](O)CC(=O)CC2 2356450480 WFILRGLFQMGLLF-WAEQRYMHSA-N 871.179 6.398 50 1 KKGF C[C@]12CC[C@H](O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@]2(O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C 2356490328 DUBRZSYNDDSLBA-ONPHXUHOSA-N 729.429 10.741 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356582401 HDIMWZVZIYCEBP-LAOYPFTHSA-N 827.160 6.522 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSS[C@H](CO)c4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356594824 JAPBOHAHFOGQSA-WEKDKETHSA-N 772.137 5.834 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356649531 PITMLTOLQYTZKC-UNWMQSNDSA-N 913.172 5.789 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356777636 AICVCWYERNUPLV-VTLAYNQBSA-N 843.159 5.697 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(CCCO)C(=O)O[C@@H]1C3 2356820026 FHKNBUNGMNMQGI-ZCIKIRASSA-N 824.982 5.360 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@H](C[C@@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)CC[C@]34C)[C@@H]2CN2C[C@H]3CC[C@@H](CC4(c5ccccc5)CCCC4)c4ccccc4CSSC[C@@H](C3)[C@@H]21 2356853496 RGVQUBBKMWKJNM-RQTJBWMPSA-N 784.229 10.245 50 1 KKGF CC1=C(CCCCCCCCCCCCCCCCCC[C@@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O)C(=O)OC1=O 2356859265 SSSBQGMZIPAJTB-DNQXCXABSA-N 538.678 6.284 50 1 KKGF C=C(c1ccc(OC)cc1)[C@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 44093535 LOXUGGFFDIDMLB-SVCJINIDSA-N 508.699 7.000 50 1 KKGF COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Br)cc1)C(=O)OC)NCCC(=O)c1ccc(Br)cc1 72115309 LVTSQDAXYPQFIF-PSWAGMNNSA-N 718.530 5.481 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597328 UIZLUTJCRGLYEX-CSOAMJNSSA-N 789.029 7.964 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC[C@H](C)O)c(CO)c1 85597351 YEKCJMNKBMYKHS-KHZJDHKHSA-N 720.954 7.472 50 1 KKGF biogenic,in-vitro CC(C)=CCC/C(C)=C/Cc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(/C)C=O)(C3=O)[C@@]14O2 143577384 KYPSMUUXSFJTAR-WKFRPZGISA-N 614.779 7.384 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)c1 150349776 DUZWYYJDEOUJJL-DOHLVBGQSA-N 947.209 7.821 50 1 KKGF biogenic,in-vitro COc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1OCC(=O)Nc1ccc(Br)cc1 586994768 BWJWDELKLHPIFO-UHFFFAOYSA-N 578.357 7.676 50 1 KKGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321094 IDZXXGJUJDWYRU-OZXSUGGESA-N 508.343 6.144 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C[C@H]1COc2ccccc2O1 587328635 VHJGEXWUQMXDMS-MIOYRSISSA-N 548.010 6.283 50 1 KKGF CCCc1c(O)ccc2c1OC(c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1P(c1ccccc1)c1ccccc1)CC2=O 587487499 OJOVQUIDJWCFTK-UHFFFAOYSA-N 726.793 8.770 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546849 YFAOOPSSDXWDBV-QAYHBSDXSA-N 560.389 6.061 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1 587672268 YYBKYBBNWIDISY-DHTHFVMWSA-N 675.028 7.537 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc12 587687357 GEELYFRAHCXWLT-UPINHGDLSA-N 527.821 5.525 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 587715241 XMAMXHLDWXIQTG-HUTHGQBESA-N 560.021 6.542 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)ccc2F)N1 587720170 RKOWOWPRQXABEZ-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)ccc(Br)c2F)N1 587722680 ZOVQYMAUPMNXIJ-RBHXEPJQSA-N 544.459 6.316 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587737540 FYOAJBYDPMOEQR-INAJKHTISA-N 739.094 6.409 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)N[C@H](C)Cc4cc(Br)c(F)cc43)sc2n1 587858193 PETSYBBMXGCDLG-IPQOISQHSA-N 510.860 5.790 50 1 KKGF Cc1cc([C@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(C)c1C 962475554 OFXXWRHTGPQBBM-LDNVYYCDSA-N 581.112 7.058 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CI)(c2c[nH]c3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 962578264 XYHGNCMEQYSUPY-CPBHLAHYSA-N 655.492 6.502 50 1 KKGF CC[C@H](C)[C@]1(CCl)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962579050 ZRLANNAZMVSVKW-REWSHJEUSA-N 505.014 5.822 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)c1ccc(Oc2ccccc2)cc1 963138707 IBWAWNPVXADSTC-CJFMBICVSA-N 545.455 5.820 50 1 KKGF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 963243373 RWOJBLWSRIAGKQ-WTWMYVDVSA-N 511.131 5.676 50 1 KKGF CN1CCc2c(Br)cccc2[C@@]1(CBr)c1cc(Br)cc(F)c1F 963281695 VCSAKXGJGPTUNS-KRWDZBQOSA-N 510.014 5.616 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc(F)cc1)([C@H](Cl)C(=O)c1ccc(F)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963726848 ASENTLQKIUKXEC-OQBISYOISA-N 629.059 6.465 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2cc(F)c(C)c(I)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939647 ZLMPQLAKYYDDKR-SBSIBOCOSA-N 816.597 6.514 50 1 KKGF CCCCSc1cccc(C(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)[C@H](OC(=O)c6cccc(SCCCC)c6)C[C@@H]([C@H]2C)[C@]53OO4)c1 1772646495 BIIJPPMOURSTEI-WXWQSRDFSA-N 684.917 8.671 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@H](CCCO)[C@]42CC3=O 2356350355 AQTFHYRYBXDDQP-QDVQMWALSA-N 519.821 5.961 50 1 KKGF CC(C)Cc1cccc([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@@H](CO)C5)c1 2356354752 PPXZJLMENKGELZ-OIBWSAMPSA-N 680.037 7.252 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1ccccc1 2356357746 UMCPYFZQPXRAEL-JDRZYYMISA-N 567.865 6.132 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@H](C2CCCC2)Cc2cccc(c2)C1 2356367942 GQYRGOQYDXHIHE-LGDNZDGJSA-N 753.081 6.735 50 1 KKGF CC[C@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]5O[Si](C)(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356416196 LCMFMYLKULZBHF-CJLOPCFVSA-N 865.591 13.286 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c3c2CCCO3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356500143 QKUABODNZYYNDN-ZFDOHDMLSA-N 727.006 6.101 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)[C@@]34C=C[C@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C 2356652730 NWPSXIIQUKYLPR-UHXBSIPNSA-N 514.703 5.600 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C=O)C3CCCCC3)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C 2356753381 SQJUXKPEEVKRID-PYXDYVLUSA-N 554.812 6.531 50 1 KKGF C=Cc1c(C)c2[nH]c1=CC1=NC(=CC3=C(C)[C@@H]4C(=O)[C@H](C(=O)OC)C(=C5N=C(C=2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C4=N3)C(CC)=C1C=O 2356766743 ZJTSOHVFOHPWJC-ILTHNGTBSA-N 885.203 10.171 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356773492 AMXAZBUZAVHELZ-ZZENUWQESA-N 891.247 8.120 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@H](O)C[C@@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356816265 CZMNPIGRZOFCOO-VJRPNTMVSA-N 940.282 6.281 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NC[C@H](CCc4ccccc4)[C@](Cn4ccnc4)(SSC1)C3=C2 2356855707 RSLLQCDEEIXSLN-YXGIIFKCSA-N 698.955 6.914 50 1 KKGF CNC[C@@H]1C[C@@]2(C[C@H]3[C@@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSS[C@H]5C=C[C@@]3(C[C@H]5C4)[C@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 85543445 SGXIRDFTQZNOOT-AENAXYMDSA-N 737.176 10.908 50 1 KKGF biogenic,in-vitro C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CCCC(C)C 85544658 HPMZVMXLIXSKCH-STZBHXLOSA-N 580.850 6.799 50 1 KKGF biogenic,in-vitro CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@@H]3CCl 95551348 OIJQNOUPXVOYPM-DQEYMECFSA-N 777.746 9.088 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@]42OO3)[C@@]1(C)S(C)(=O)=O 101526302 LCGILAKITPFSIU-ZTCJETKJSA-N 628.913 8.166 50 1 KKGF CC(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3cccc(S(=O)(=O)c4cccc(NC(C)=O)c4)c3)c2)c1 150628677 MEQBMCTZKXOFGQ-UHFFFAOYSA-N 851.022 8.573 50 1 KKGF CO[C@@H]1O[C@H](CBr)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 256015724 ZJEJBLWGAZBXNH-BFIYYEAJSA-N 984.043 13.885 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299819228 UXZCKFPBCBHVFY-MNWWWNLGSA-N 897.148 7.237 50 1 KKGF CCn1cc(Br)c(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 587000440 NOVBOKPVDCSSOJ-UHFFFAOYSA-N 510.124 6.553 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cn(-c4ccc(Cl)cc4)nn3)nc2c1 587075461 IYCNNXNGNVSUON-UHFFFAOYSA-N 500.678 6.884 50 1 KKGF Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C\c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587086834 MYLNBJJLOPBMER-SREVYHEPSA-N 588.227 9.013 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4ccc(C)cc4)[nH]c3cc21 587186999 AGZLOSFJNFOSHG-UUYOSTAYSA-N 597.583 6.354 50 1 KKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 587377106 QOCAJALUZLUHON-PXJZQJOASA-N 522.041 7.154 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 587672467 FYUBXVSIFKBNIX-WWYLAXTRSA-N 524.110 5.914 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 587677777 IRMQHAOWQASFSA-SBKAZYGRSA-N 515.604 5.343 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 587725841 GOMUEZUMJPAXLB-YEBMWUKDSA-N 540.235 6.384 50 1 KKGF COc1cc(/C=C(\C#N)[C@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O 587740138 WRNXXRRROAWGGZ-SXPLXLBOSA-N 651.270 5.703 50 1 KKGF COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 653692831 SPEVFVINFQVTBE-ZUBDYPCQSA-N 737.677 7.469 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(/C(=C(/C)NNC(=O)c3ccncc3)C(=O)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673923 LKAVZMCVKWXGNM-LSBWKWLVSA-N 642.634 5.465 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](CCCCCCl)(c1cccnc1Cl)N2C(=O)OC(C)(C)C 962709080 JUZGZTKFFUMHCG-VSGBNLITSA-N 551.486 6.568 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCl)c1cc(OC)c(Br)cc1O 962985076 ATBGZJVXTBHZOD-NDEPHWFRSA-N 623.327 5.974 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CCCCl)(c2ccc(Br)s2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041002 OZEFJATVMIISSV-GOXGLGGOSA-N 672.975 8.312 50 1 KKGF Cc1cc(NC(=O)C[C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)n(-c2ccccc2)n1 963228895 FKLZFRUCXKLSJJ-BFXRBFBZSA-N 767.151 6.426 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](c2cccc(C#N)c2)(C(Br)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367977 OBDJIMBRIPXDSF-BFGHFXMOSA-N 702.399 6.972 50 1 KKGF COc1cc2c(cc1OC)[C@H](c1nccn1C[C@@H](C)O[Si](C)(C)C(C)(C)C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963779789 XDFPWNJOOFFOSR-ONOMSOESSA-N 602.808 6.149 50 1 KKGF N#CC1=C(c2ccc(Cl)c(F)c2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772630930 GTGDWYSRRRBIHP-NRFANRHFSA-N 520.832 6.455 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857579544 HGOBQNWDWJOLEG-RUHGTMQNSA-N 610.110 6.725 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857599647 BMLVIYSRSZAGAT-MRXNPFEDSA-N 571.480 7.165 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)C7)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356350971 NMCPBFKPOSLMST-RWBFJTHGSA-N 934.318 7.376 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)CCC=C(C)CN[C@@H](C)Cc1ccccc1 2356358140 XLSXUXBCBPTWPP-WXLVRNTOSA-N 662.956 5.761 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@@]35C 2356358272 OBRCFHXRJRLZHW-OXWKMJJOSA-N 906.261 7.306 50 1 KKGF CN[C@H](O[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 2356365622 OYJATYINNSCKGZ-ZPQIWUEPSA-N 649.831 6.864 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5[C@@H]6CC[C@@](CO)(C[C@H]61)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356484708 FFBFKAQLRMGQCQ-ROSXEBPOSA-N 601.923 5.974 50 1 KKGF CN[C@@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(O)c(CO)c1 2356503494 JTGWBSDVKNKXEJ-OCKRADGESA-N 663.858 7.385 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1C[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 2356802073 QZZQNCKNLQOAHT-BAERFEIBSA-N 570.362 6.377 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356831399 JOSPQESHBOXFTJ-WNJINOTJSA-N 939.122 5.973 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356847863 PACIRBUXMITRHL-PYJAEPPBSA-N 931.323 8.711 50 1 KKGF COc1cc(N2C(N)=C(C#N)[C@H](c3ccc(Cl)cc3Cl)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 49694594 GUWVQRYVHJQGFE-QHCPKHFHSA-N 528.436 5.960 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(=O)CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49823149 YWDPFBADBFDYTD-SUAYZYQDSA-N 622.752 5.005 50 1 KKGF CN(C)c1ccc(/C=N\NC(=O)c2ccccc2Nc2ccccc2C(=O)N/N=C/c2ccc(N(C)C)cc2)cc1 73351359 HWGHWJMKOZPYOA-NRYMNODQSA-N 547.663 5.090 50 1 KKGF CNCC[C@@]1(O)C[C@@H]2C=C[C@@H](CCO)[C@@H](/C2=C(/C)C=O)[C@@]12CC[C@@H](/C(=C\C=C\C(CCC=C(C)C)=C1CCCCC1)CO)[C@H]2O 85544380 SIYGGKVWCZSLRK-PPXRAEFRSA-N 621.903 6.286 50 1 KKGF biogenic,in-vitro C[C@@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OCCNC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 95607599 NXUMPCNHCFUSHW-UWNKFJTESA-N 828.985 6.845 50 1 KKGF CCOC(=O)CNC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 169353483 ZCOFHBLYQHCBMA-IWXXDMIMSA-N 562.795 6.562 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@@H](C)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 238777714 RHWGELGQTCGCNJ-RMJWRXKISA-N 612.980 11.189 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299842844 YCOIJPSIDUQDNN-FYPSXKEKSA-N 812.448 5.694 50 1 KKGF S=C(Nc1ccc(Cl)cc1)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccc(Cl)cc1 473148643 GNLNPWONIBXOAE-UHFFFAOYSA-N 587.648 9.411 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(c4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)CC[C@]3(C)CC[C@]21C 586898102 GMJPWZDCUGEUBK-FPJJNXGHSA-N 747.753 11.576 50 1 KKGF O=[N+]([O-])c1cn(Cc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)nc1C(F)(F)F 587118451 NEFCPOOWIZTEOO-UHFFFAOYSA-N 592.266 7.822 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc4ncccc4c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191126 PBSUDBVGRUQLTK-TZNUUNCUSA-N 612.815 7.143 50 1 KKGF C[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587199780 ODIHHFJZQDIPSS-HNNXBMFYSA-N 523.527 8.162 50 1 KKGF C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587333837 NLVXHUVYTQYUOF-AOHZBQACSA-N 507.758 6.448 50 1 KKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546844 KDYPBGOTXPURGG-BWKNWUBXSA-N 529.561 6.729 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587669313 CVCOINBMBQFPBR-BUNUKWNGSA-N 577.288 6.030 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 587839033 FXSBRCMLUPNKEI-BFUOFWGJSA-N 593.371 5.647 50 1 KKGF COc1ccc2cc([C@@H](C)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc2c1 587935987 YALXBUOEGJWWCL-LLVKDONJSA-N 507.322 8.296 50 1 KKGF O=C1/C(=C/c2ccc(OCCBr)cc2)CCC/C1=C\c1ccc(OCCBr)cc1 653760821 DTCSEHJEOVQSJW-NWILIBCHSA-N 520.261 6.454 50 1 KKGF COc1cc(/C=C2\CCC/C(=C\c3ccc(OCCBr)c(OC)c3)C2=O)ccc1OCCBr 653760990 VHJPPYAYOSGAOV-OZNQKUEASA-N 580.313 6.471 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CBr)(c1ccc3ccccc3c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962618958 FYFDNVDAURPLCV-RBJSKKJNSA-N 538.438 5.927 50 1 KKGF ClCCCC[C@]1(c2ccc(I)cc2)NCCc2cccc(-c3ccccc3)c21 962669970 TWPRKMPPCJSRTF-RUZDIDTESA-N 501.839 6.757 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4c(C(F)(F)F)cc(F)cc43)c2C)cc1 962703676 MQDKVRKKRCMQQY-WIOPSUGQSA-N 538.925 5.120 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CCCCl)c3ccc(C(F)(F)F)cc3)c(O)c2C(=O)O1 962937884 SVOSLEGIAVTWJS-LCLBLTNTSA-N 636.450 6.580 50 1 KKGF C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)s1 962961066 SHMKVLKTYVFHBX-IERDGZPVSA-N 512.714 6.986 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CCl)(c2ccc(F)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963043514 TYQBZJLDPJJWEN-PPTMTGTBSA-N 595.976 6.986 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(N)OC3=C2OC(CO)=C[C@@]32c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 963083576 CVLVJEDDFBAJDW-WVSZGQIDSA-N 715.806 6.820 50 1 KKGF Cc1cc([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(C)n1-c1ccc2c(c1)OCO2 963817439 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COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)OC[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356738018 RLHVXUAPDBHMFB-DDDYXCBLSA-N 779.082 6.153 50 1 KKGF C=C1[C@@H](C)[C@@H]2[C@H]3CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@]2(C)C[C@H]1OO 2356810122 AWPZOHYJIUEPGA-GKDUPPJISA-N 500.764 8.064 50 1 KKGF C[C@H](Cc1ccccc1)[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@H](O)[C@@H](CCC1)CC2 2356866653 VODPTHHXOVBINQ-WCVOJOBLSA-N 866.203 7.241 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@](CO)(CCCCCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]2O 49615887 AGYKLIJHZKDGCG-STYKTOQKSA-N 687.793 7.571 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(NCCNCc3ccc(CO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)c2c1 49889064 MDJUGJWDIJIYEG-LFCRJUDQSA-N 688.265 7.976 50 1 KKGF COc1cc(/C=C2\CCC/C(=C\c3ccc(OC(=O)CCCC[C@@H]4CCSS4)c(OC)c3)C2=O)ccc1OC(=O)CCCC[C@@H]1CCSS1 82196790 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COC(=O)C(C)(C)c1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CCCl)cc1 587618332 OXGFZVGTAPIGAN-UHFFFAOYSA-N 586.066 5.784 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 587687065 FHLHYEITTXBHNA-SXBQZSJRSA-N 519.842 5.784 50 1 KKGF O=C(CCCCCCC(=O)Nc1ccccc1)NO[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621485849 PFEMABKBLNIWIH-AFHZQNRISA-N 526.674 5.783 50 1 KKGF COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(C)(C)/C(=N/NC(C)=O)CC2 653727847 VSDUCKLXBOURDZ-KVQDIILNSA-N 585.130 5.524 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2C2(CC(Br)C2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962713947 OHVNRFIHLGSWPT-NXYCWYFDSA-N 610.499 5.556 50 1 KKGF CC1(C)O[C@H]2O[C@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@@]3(NCCc4c(Cl)cc(Cl)cc43)[C@H]2O1 963110579 NDKWNICRVTXUQO-SVYISMGTSA-N 598.643 5.787 50 1 KKGF COc1cc2c(cc1OC)[C@H]([C@H]1C(C=O)=CC[C@H]3C(C)(C)CCC[C@@]31C)N(C(=O)c1ccccc1N)CC2 963146866 YIHPOFVMKSIPEV-MLSLEFIRSA-N 516.682 6.003 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(c1ccc(C(C)(C)C)cc1)c1c(NC(=O)CCl)sc2c1CCCC2 963150680 RWMUVOYQXSAHJV-KCEHZKJRSA-N 644.259 7.097 50 1 KKGF O=C(NNC(=O)[C@@]1(c2c(-c3ccccc3)[nH]c3ccccc23)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21)c1ccccc1 963187257 CJAKKUUYZGSEAV-JJXMVLQZSA-N 742.788 7.393 50 1 KKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)NCCc4c3[nH]c3ccc(OCc5ccccc5)cc43)c2C)cc1F 963819378 WATRBNSGPFLVKT-YTTGMZPUSA-N 528.071 7.230 50 1 KKGF C=C1[C@H](OO)CCC(=O)O[C@H](/C(C)=C/C=C/C[C@]2(O)CC(=O)O[C@@H](CC)[C@@H]2C)[C@@H](C)C=CC=C[C@H](OC(=N)O)[C@@H](C)[C@@H](O)[C@@H]1C 1857628598 PBFFCVHRTZVSSP-QXRKYTHMSA-N 633.779 5.351 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/C=C/c4ccccc4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/C=C/c4ccccc4)cc23)cc1 1857629907 OLDYOFSQNJUTPH-IACXJJIDSA-N 680.812 8.996 50 1 KKGF C=C(C)[C@H]1CC=C(COC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)CC1 1911570820 QFRKTAQGYDWPPH-FJPPLNFNSA-N 518.647 5.364 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2)C[C@@H](O)CO 2356299422 CSUCAVOISHUWQI-DJAFQGKMSA-N 950.277 8.706 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](C=C[C@@H]3[C@H](OC(C)=O)C[C@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@@H]13)SSC2 2356361367 ZVXOQNXYVZAKPZ-QAWBZRCOSA-N 776.978 6.194 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](O)O[C@@H](O)[C@@H]12 2356421320 GBYQIIZDUSTWMM-UDBZIMLWSA-N 608.904 8.156 50 1 KKGF C=C(C=CC=C1[C@H]2[C@H](O)[C@]3(C[C@H]2CCC[C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)CCC=C(C)C 2356548797 FXONYYPUHYUIQH-LABQUZBASA-N 526.758 5.749 50 1 KKGF CCCc1cc(OC)cc(O)c1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)C=C[C@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356726024 VHFKNSGHCDZIJC-YGWPSXKFSA-N 620.871 9.005 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC 2356756314 QMUKZXOQSABDPR-CJAOGYFSSA-N 757.211 9.594 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@H]2CSSC[C@@]3(NC(=N)NCCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356756965 HOBOJICLDBWJRK-XXDYSIJUSA-N 811.036 6.172 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356777981 JMHPYFFUTOXRLZ-ISGRNSBPSA-N 829.094 8.915 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 27843400 SLMQCHQWMSSKIZ-ODTVBPJYSA-N 623.775 6.948 50 1 KKGF CCCCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145571 LVHSMTIPVCIBAR-OPXHZMSJSA-N 547.780 7.549 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 43260639 HYVIYZLGCOJNSV-YTNCTNLCSA-N 531.556 5.613 50 1 KKGF Cn1cncc1CN1C[C@@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)C[C@H]2CC(C#N)=CC=C21 49844809 GOKHKHNRDKAEPX-FTJBHMTQSA-N 629.584 5.550 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCCNCCN(C)C)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 49952195 LQWLGECKWNMUSC-QAUYXBRCSA-N 676.936 6.563 50 1 KKGF C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C 85544694 JKCXASONVGQKQO-GSGVVIHHSA-N 580.850 6.941 50 1 KKGF biogenic,in-vitro COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CCC4)cc2c1 96907835 YMQAWEIBKYSFNJ-PMERELPUSA-N 575.575 6.490 50 1 KKGF Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1OC(C)(C)OC2 96908092 ZVMHFQKZZYGZTC-UHFFFAOYSA-N 729.841 9.023 50 1 KKGF O=C1N(Cc2cccc(CO)c2)[C@H]([C@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc(CO)c1 137124886 YZNMWSWYDOVEJX-PZMYXVABSA-N 629.595 5.456 50 1 KKGF CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3cccc(F)c3F)cc2)c2c(N)ncnc21 148831316 KWBJZFXSWFLQKE-JCZXDDDQSA-N 556.617 6.238 50 1 KKGF CNCC[C@@H]1C=C/C(=C\C[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 150343950 NHLKXZINZXBHPR-PIQCOMRLSA-O 938.114 5.650 50 1 KKGF biogenic,in-vitro O=C(c1ccccc1)c1ccc(Br)cc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2cccc(Br)c2)o1 150578196 VOCPBUJTMPFOAF-FCHUYYIVSA-N 617.681 6.100 50 1 KKGF COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(=O)[C@@H](Br)[C@@H](Br)c2ccc(O)c(OC)c2)ccc1O 150612551 NRTHYMDJJORAFX-AZRSXFFOSA-N 677.302 5.542 50 1 KKGF COC(=O)[C@@H](CC(C)C)NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 169353485 LPZDUILYBZQEAX-OVFDLXKFSA-N 604.876 7.587 50 1 KKGF COC(=O)[C@@H]1C(C)=NC(C)=C(C(=O)OC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1 169721432 RVZXDTKQBCOHBU-ASNZHZABSA-N 646.609 5.142 50 1 KKGF CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C2=C(Oc3cccc(O[Si](C)(C)C(C)(C)C)c3N2)/C(=N\C(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O 169748480 CRYHGQHDLPBRAY-PNNHRXSUSA-N 915.122 7.972 50 1 KKGF investigational CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 195977498 XXYWFFFNGNMCNB-LTWCJOEFSA-N 816.166 7.725 50 1 KKGF CC(C)(C)c1ccc(C/C(=N/O)C(=O)NCCSSCCNC(=O)/C(Cc2ccc(C(C)(C)C)cc2)=N/O)cc1 299864955 SHKOWKDXZWWKAM-OEDDBACWSA-N 586.824 5.341 50 1 KKGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320863 HHWQHBZJEKDOCK-KYPHJKQUSA-N 512.375 5.918 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 587340859 WBUCMYFWSYTXNT-DPRPQOKCSA-N 684.586 7.939 50 1 KKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C(c1ccccc1)c1ccccc1 587499111 RXIJIXWJQAUVPT-MGBGTMOVSA-N 510.077 7.721 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587544927 PQSZFAGWNAGGRO-KMDNEMHUSA-N 515.949 5.504 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 587709105 IANIOCKQZATEDJ-ULHQUTTKSA-N 533.930 5.631 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587858711 SXCNLMJULUUGQC-HGKJHCCASA-N 606.001 7.177 50 1 KKGF CC1(C)[C@@H](OC(=O)CCc2nc3ccc(C(=O)NN)cc3[nH]2)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 587948036 GMZVJAFITTYUDG-RLAOUVETSA-N 700.921 7.076 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962719013 VCVHAJZQIFZFPD-HVGRUFOJSA-N 599.237 7.244 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(c1ccccc1)c1ccccc1NC(=O)CCl 963000368 WKQXKHVIASZBTE-UMSFTDKQSA-N 617.529 6.484 50 1 KKGF ClCCCCCC[C@]1(c2ccc(Cl)cc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816486 CFZHGTCRUXHWNT-SSEXGKCCSA-N 507.505 7.979 50 1 KKGF C=C1CC[C@H]2[C@@](C)(C(=O)OCCCBr)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 1857653481 XHLWKGHXKZNQNN-ZNLLNLFHSA-N 613.589 7.730 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356359584 NZBOHSUFZFKXCP-PKVOUFPLSA-N 719.020 5.559 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356493343 PCDHKDBACXMISM-BLKCXFRFSA-N 910.257 5.331 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC4CCCCC4)C3)c2)N1 2356699598 CGUMHYAOPAUYAJ-BPGVJMBPSA-N 811.124 7.728 50 1 KKGF CNCc1ccc(CO)c([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@@H](CCCO)[C@H](CO)C5)c1 2356716241 HNNIKRJKJLQIAQ-VZNRPOLYSA-N 697.024 5.265 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356827287 HPCJTLWCZGIYFX-VPXSSWBKSA-N 883.190 7.605 50 1 KKGF O=C[C@]12OCSSC[C@H](C3=CCN=C3)[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)CNC[C@]1(O)[C@H](Oc1ccc3c(c1)OCC(=C1C=CC(O)=C[CH-]1)C3=O)O[C@@H](C(=O)O)[C@@H]2O 2356827696 IOMYCSSPZIWQSL-QXKFCLLVSA-N 918.079 6.125 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@H](CN8C(=O)C=CC8=O)C3=C5C(=O)O6)N7)[C@H]42)CCCC1 2356833704 KIVSPGJRJFAYHX-PDXGJJDSSA-N 865.131 6.743 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@H](CC4(c5ccccc5)CCCC4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@@H]5C[C@H](O)CC[C@]54C)[C@@H]3CC[C@H]21 2356853495 RGVQUBBKMWKJNM-IMDGWZFGSA-N 784.229 10.245 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSSCNC6=CC(=CCN6)[C@H](CCCO)C3=C4C(=O)O5)[C@H]21 2356864810 VZSNTBVKXTURSO-COOWJDKBSA-N 636.880 6.425 50 1 KKGF CC[C@@H]1CC[C@]2(C3=CCN=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@H]2C1 2356867897 WXGURZZHGAKCDU-IWIFXLGUSA-N 531.740 5.984 50 1 KKGF C=CC/C(=C\CO[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)CC/C=C(\C)CCC=C(C)C 28656244 ZLRMXSICFWQDNL-CAOWWJISSA-N 557.068 8.755 50 1 KKGF ClP1(Cl)=N[P@]2(Cl)=N[P@](Oc3ccc4ccccc4c3)(=N1)OCCOCCOCCOCCO2 43491197 DBVTYNNDZOXJAV-CZNDPXEESA-N 576.678 7.884 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCCC(=O)OCC#CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299868004 ZDDKILVGVIZPQG-OQGLAKQFSA-N 855.023 5.792 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587056978 SVHYVBVKHDGUHN-KGENOOAVSA-N 649.521 7.264 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 587333065 UYCGQTBBULPWJR-IFMALSPDSA-N 511.265 6.079 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@@H](Br)[C@H](Br)c1ccccc1)[C@@H](C2)C3=O 587414929 PQUKJXIUVXDQNE-UOYQKJQJSA-N 528.240 6.238 50 1 KKGF COC(=O)c1ccc([C@@]2(C(Br)Br)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532394 QHKFEUUQDYHBFN-HXUWFJFHSA-N 514.235 5.390 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587722078 YEONFIIEWBCBKD-FNODVLLQSA-N 562.257 7.267 50 1 KKGF COc1ccc2c(c1)[C@@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)N(C(C)C)CC2 962041060 DSNHWJYBVBXGND-AREMUKBSSA-N 519.310 7.455 50 1 KKGF C[C@]1(c2ccc(O)c(CCl)c2)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962406471 SDVBWPANQZOKAI-ZUKKLESISA-N 555.030 6.050 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CBr)(C2CCOCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962479395 YJLSKSFNMADKQL-OFSOJUDTSA-N 577.475 5.359 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2[C@]2(CCC3)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962924893 IEEONPUHWKHYQV-FXESGQFUSA-N 601.659 6.433 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963188492 JXFCHPNQRPRTAG-AUELZRNSSA-N 566.488 6.865 50 1 KKGF CCCCCCCCCCCCCC[C@@]1(CBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963225817 BHLVTOGPVKIXMU-ROUMXBAISA-N 794.740 10.150 50 1 KKGF O=C(NCc1ccccc1)[C@@H](c1ccc(OCCBr)cc1)N(C(=O)CCc1ccccc1)C1CC1 1772655320 SUSHJEGXWOMLBV-MUUNZHRXSA-N 535.482 5.442 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CCC5(CCCC5)C4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356293376 MNTLZGHSJZCNEY-UIROQTONSA-N 843.033 5.566 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5CC[C@]1(O)C[C@@](C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]3CC(=O)c1cc[nH]c1CC#C2)(C4)[C@H]5CCC[C@@H](O)CO 2356350808 JZNPJGORXZLNRG-PGPREYMDSA-N 932.218 7.680 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356395950 YSZWKXRRCFZDNI-IZIKOTTDSA-N 705.333 10.483 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCN[C]3C=C(C=CN3)[C@H]2CCCO)CCCC1 2356521733 KCRDPIYPWRWPIU-XFXMSDGKSA-N 689.964 7.757 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c1O 2356616550 XPBHSSKKEQQMDX-RDDCELSISA-N 710.911 7.591 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356687395 OQLBRBVZRBZVJY-GZSACDFRSA-N 781.098 7.487 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356734388 KXANWWIOPIKGQM-DHLWTVOGSA-N 743.042 5.581 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356823293 GKZDWXZAEMRORI-RCNTWFQTSA-N 879.247 7.450 50 1 KKGF C[C@]12CCC[C@@](C)(C(=O)OC(=O)[C@]3(C)CCC[C@@]4(C)c5cc(O)ccc5CC[C@H]34)[C@@H]1CCc1ccc(O)cc12 38149321 CXSWMXMKWWOTPK-NISABICKSA-N 530.705 6.888 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)c1O 85567659 LJLQIFPLZYHBDV-PXZLSRSTSA-N 766.975 7.536 50 1 KKGF biogenic,in-vitro COc1cc2c(c(OC)c1O)CC#C[C@H]1SS[C@@H]3CCC[C@@H](CC[C@@H]4Cc5c(c(OC)cc6c5[C@@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 150342933 KUXUQRRZGJUVTH-KROSWWMNSA-N 672.865 7.671 50 1 KKGF biogenic,in-vitro CCc1ccccc1/C=C/C[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 150344232 AARNUMTXCUVCSO-MQCIGUTASA-O 843.997 5.799 50 1 KKGF biogenic,in-vitro C=C1C[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(C)=O)C[C@@]2(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@H]12 166192151 KFROHBBVEXISDY-VPZGYXPTSA-N 695.820 9.147 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)N[C@@H](Cc5c[nH]cn5)C(=O)NN)CC[C@]4(C)[C@H]3CC[C@]12C 299811745 HEIMOAMQOSNFRJ-LTFUINMXSA-N 581.846 6.447 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@@H]([C@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 299848978 YRZOFWYSUVSYSR-SSBDMDJJSA-N 620.780 6.496 50 1 KKGF Cl[P@@]12=N[P@@]34=N[P@](Cl)(=NP(N5CCCCC5)(N5CCCCC5)=N1)Oc1ccccc1CN3CCCN4Cc1ccccc1O2 473235319 SVUNEDNNMDTNKI-HMWSTLFVSA-N 701.457 10.427 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587544730 OXUDLCAJOJLYSS-FQLPYIGMSA-N 526.416 5.913 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 587546575 WTQFUHDIGFZXKF-JTSJOTPCSA-N 525.988 6.081 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 587671779 AQNKHHHDNXGRBY-RBHXEPJQSA-N 585.935 5.868 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)N1 587673638 OVTDVRHJVHTZQM-JRVVOHRXSA-N 523.671 7.156 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H]2C(C)(C)[C@]12OC(C)=O 587810099 JVYBOZAXOJHPAG-JUSSDXQQSA-N 828.901 8.722 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587850607 QTJMADWAMPIHHE-URAOTHONSA-N 532.437 6.587 50 1 KKGF CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(c6nc7cc(S(F)(F)(F)(F)F)cc(Br)c7[nH]6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 587947631 AZRLZJQCJXUYMO-WUMOFDDCSA-N 847.826 11.992 50 1 KKGF Nc1c(C(=O)NN=Cc2ccc(OCc3ccccc3)cc2)oc2nc(-c3ccco3)cc(-c3ccco3)c12 958527424 WFNTXSHDKLNGOF-UHFFFAOYSA-N 518.529 6.273 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2[C@@]2(NC3(CC3)Cc3ccc(Br)cc32)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 961610165 AVWZORISPCPVJH-XOYYDXDZSA-N 690.755 7.460 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCCl)(c1ccccc1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682051 UJHJDFPUMYUJNS-NDEPHWFRSA-N 566.447 7.727 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2c(F)cc(Br)cc2F)N1 963188129 VPHAXMBKQFOGPK-WMLDXEAASA-N 563.542 5.637 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(c1ccccc1)c1oc2ccccc2c1CBr 963188882 BFNWZKRIRXDBKC-PPTMTGTBSA-N 533.469 7.743 50 1 KKGF CCCCCCc1ccc([C@@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963206927 ZTEOPJSXUCTEKV-IKYOIFQTSA-N 598.139 8.145 50 1 KKGF CC1(C)C(=O)N(c2ccc(C#N)cc2C(F)(F)F)C(=S)N1c1ccc(S(F)(F)(F)(F)F)cc1 1857561096 ZAFLXEDVVQUSAC-UHFFFAOYSA-N 515.451 7.151 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(Br)o2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857580184 UXDUVXYQKPADPT-CQEYNODKSA-N 642.370 6.203 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCc1cn(CCCCOc2ccc3cc(-c4ccc(Br)cc4)c(=O)oc3c2)nn1 1857745225 FKIDUOPFESGCFP-AREMUKBSSA-N 657.656 7.004 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)CSSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356301324 VJVZGOPPRWGPOC-LGGXPLOOSA-N 866.159 9.321 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356301544 WUNFWIMQTVHCBK-LXDNXVCXSA-N 994.333 10.176 50 1 KKGF CNCc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@@H]4[C@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356353328 MDAPOCUUTCBFAR-QNQVOABVSA-N 761.158 5.409 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCCC4)C[C@H](O)[C@@H]3C)[C@]12O 2356362258 DAHLNDLXPKWOBR-ZJBYAOHRSA-N 783.198 9.120 50 1 KKGF CCCCCCNCOc1c2cc(c3c1OC[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 2356364758 XTLQEUWXSBOYRO-VNOZRXICSA-N 781.098 6.401 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)[C@@H]2CCC[C@](C)(O)[C@H]2O3)O1 2356371373 YITVPYFPTNOIAE-SCDPXQSASA-N 597.664 5.655 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@]13CC[C@@H](C[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@H](O)[C@H]2O6)[C@@H](C)CCSS3 2356418526 LMMNQEFKHMLCLB-OMYLFLNZSA-N 732.917 6.424 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)CCCC(C)C 2356485798 SZTGJQWCAPKGOY-BTUHRZGOSA-N 630.907 6.154 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@]31CC[C@H]([C@H](O)[C@@H](O)C4)[C@]15C 2356611225 PIYWFURNNOGWMG-MWXWOVJDSA-N 880.223 6.607 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC(=CCN4)[C@]4(CC[C@]5(CCCC56CCCC6)C4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356875278 ZOCRGYHBBLGJEC-ZJTMDEGOSA-N 899.141 5.938 50 1 KKGF CCn1c(SSc2c(C(=O)Nc3ccccc3)c3ccccc3n2CC)c(C(=O)Nc2ccccc2)c2ccccc21 27710832 HGEUJQHYFOVDPL-UHFFFAOYSA-N 590.774 8.940 50 1 KKGF CCCNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145578 CALNUZDNCPLIAJ-FMIDTUQUSA-N 532.769 6.732 50 1 KKGF CCOC(=O)C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 44117535 GUEBJLYNRBAGIB-SFHVURJKSA-N 567.234 5.273 50 1 KKGF O=[P@]1(N(CCCl)CCCl)Oc2ccc(Cl)cc2Sc2c(ccc(Cl)c2Cl)O1 73417941 XJVRODHTQOHLNA-AREMUKBSSA-N 507.590 7.457 50 1 KKGF CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2 85597426 ZEUQBIFAHBTMED-XPUKALDLSA-N 567.773 6.834 50 1 KKGF biogenic,in-vitro COC(=O)c1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 95543196 CDKCXUBFGLGPCW-FGGZVBKASA-N 763.712 5.112 50 1 KKGF CCOCCOP(=O)(OCCOCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1 103207946 WNPCLQNTPYWHPY-CJJGVWJISA-N 592.651 5.294 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 150348647 GQPZODNHOMJQLR-OXXYLMKASA-N 959.377 9.691 50 1 KKGF biogenic,in-vitro C[C@H](O)CCC[C@@H]1[C@H]2CC[C@@]3(O)C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 150349126 KGFWSUXOYCWMPY-VRWSKNICSA-N 915.211 8.493 50 1 KKGF biogenic,in-vitro COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 169364131 LESKKKIMBKXTJX-DMHKJGMMSA-N 909.039 6.329 50 1 KKGF C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@@]12C 195348136 PZXHPUCNJAGWRH-OHILRQGXSA-N 540.585 6.963 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H](n2ccc(O)nc2=O)O[C@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1 253639217 QTTFTVPTSUAFOG-ATNBEAFSSA-N 583.805 6.209 50 1 KKGF CC(=O)[C@@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3Sc1ccc(NC(=O)NCCCl)cc1 253645605 LJHNAANEAMCCMK-VTNCTWIJSA-N 543.173 6.855 50 1 KKGF C/C=C1/CN2CC[C@]34C(=C(C=O)[C@H]1C[C@H]23)Nc1ccc([C@H]2C[C@H]3/C(=C\C)CN(C)[C@@H](Cc5c2[nH]c2ccccc52)[C@H]3C(=O)OC)cc14 255214114 GVJFCBIQWCVYNY-MXKMWYSZSA-N 628.817 6.082 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)c2)n1 299871409 YLKGOUUWGODSMW-CJLVFECKSA-N 614.081 6.111 50 1 KKGF C[C@@H]1CC[C@H]2C(CN3CCCC[C@@H]3[C@H](O)c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473097157 DBVXLZYMRJVSHV-WTCMPPQESA-N 710.634 8.223 50 1 KKGF CCOc1ccc(/C=C/c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 587000530 BYSNJTLQADZJNZ-XVNBXDOJSA-N 596.419 9.767 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Br 587322780 OQXJWQISFWMCJE-FYYLOGMGSA-N 536.191 5.952 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587670514 LBOFIQHDVKMZQC-ODKGLIOUSA-N 545.290 6.629 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 587674080 SLVBILONBKORQG-RKNYENMMSA-N 601.141 7.055 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587685593 AATZTEQKBPHIFI-SRGMZFCMSA-N 572.866 5.056 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 587687345 GBURQYZLGRKKCQ-PVPMGCCUSA-N 501.871 6.501 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689535 UDUNDJLGOFYJON-LOKFHWFJSA-N 577.878 5.586 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(I)c2)N1 587736796 BZHUVTZENLMDCG-DYZYQPBXSA-N 539.024 5.366 50 1 KKGF Cc1ccccc1[C@@]1(CCCCCCl)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963021824 ROHRGJBBLLLERF-JOMNFKBKSA-N 549.498 7.324 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCl)(c1cccc(F)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963727380 CKVINKXFDHCYCB-LJAQVGFWSA-N 520.988 5.464 50 1 KKGF C[C@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1857615670 XYDIDKYMGHSYHU-KRWDZBQOSA-N 506.440 6.716 50 1 KKGF COc1cccc(/C(=N/NC(=O)[C@@H](NC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ccc(Cl)cc2)c2ccccc2)c1 1857636155 XUDGJDSUXFXYSD-QYHAGIQSSA-N 679.221 7.095 50 1 KKGF Cc1ccc2[nH]c3c(c2c1)CC[C@@]1([C@@H]2c4ccccc4-c4nc5cc(C)c(C)cc5nc42)NC(=O)C(C#N)=C31 1857754206 UWEUPRPYHLOPKF-SYBRLPANSA-N 507.597 5.941 50 1 KKGF CO[C@H]1C[C@H](C)CC2=C(NCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C(=O)C=C(NC(=O)C(C)=CC=C[C@H](OC)C[C@@H](OC(=N)O)C(C)=C[C@H](C)[C@H]1O)C2=O 1911583251 PMARJMMYAAMURY-PKMMOYMQSA-O 905.106 7.710 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@H](C)O)C2)Cc2cccc(c2)C1 2356358291 OCVUCDWWQUSGHM-WGQDLCKVSA-N 998.400 6.393 50 1 KKGF COc1cccc(CCc2cc(O)c(-c3c(O)cc([C@@H]4OO[C@@H]4c4cccc(OC)c4)cc3OC)c(OC)c2)c1 2356374747 DTEMQMGQWQAFOF-ZWXJPIIXSA-N 544.600 6.329 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@](C)(O)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)C1 2356564983 KIRZKILDCHMWNV-LSHPFNKMSA-N 603.679 6.052 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)[C@@]34CC[C@]5(OO3)C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@]12C)C(C)C 2356670478 PSECKJIFRYHDDK-UHXBSIPNSA-N 516.719 5.824 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356738869 FHHBLXAUCHDWCM-PPGDUORISA-N 873.185 5.202 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356776112 DQOPTFBDOREGQH-SAMJBBGXSA-N 838.238 7.193 50 1 KKGF CC(=O)O[C@H](CC=C(C)CCC=C(C)C)C(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356777379 UMUGWPGRUHYSOT-SYEZAVJTSA-N 516.763 7.183 50 1 KKGF CCCCC[C@@H](C[C@@H](CCc1cc(OC)c(O)c2c1CSSCNC1=CC(=CCN1)C2)OC(C)=O)OC(C)=O 2356858300 SYPINHVOHPBYIK-BJKOFHAPSA-N 578.797 5.523 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356868373 XATKKZWUGKUMKV-LJBJMILLSA-N 897.173 5.747 50 1 KKGF CC(=O)O[C@@H](Cc1c(SSc2[nH]c3ccccc3c2C[C@H](OC(C)=O)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 27706123 ULJVYCBHZIELSM-ZPGRZCPFSA-N 734.900 7.030 50 1 KKGF O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CCl)nc2ccccc2c1-c1ccccc1 28758888 SGMZMUYLZYFEAL-UHFFFAOYSA-N 522.876 7.608 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cc(F)ccc2O)cnc2c(C(F)(F)F)cccc12 49762688 KEOQDDRLCNDAMD-CUULYPTLSA-N 613.637 5.913 50 1 KKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1cc(Cl)cc(Cl)c1)OO2 64453946 NPYPTPXROQJAFG-UJMCYLRASA-N 508.445 7.881 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@H]6COC[C@H](CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 85511269 FALDAHZBXHSRNO-OKQNRDPQSA-N 784.946 5.458 50 1 KKGF biogenic,in-vitro COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5Cc6c(c(OCCO)cc(c6[C@@H]4[C@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O 85567714 LWGJGVMYMKRTML-RBUIVEBWSA-N 682.857 6.595 50 1 KKGF biogenic,in-vitro CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@@H](c2ccc(NO)cc2)CC[C@@]5(O)C[C@@H](N=C(N)N)CSSC3)O1 85594361 YPWKKJCRGDZUJG-FWQLZLBPSA-N 682.865 5.030 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](OCNCCCCO)CC(=O)CC2 85597394 HOCYRXZLDCGFAN-IZZNHLLZSA-N 615.814 5.559 50 1 KKGF biogenic,in-vitro Clc1ccc(CNc2ncnc3c2cnn3C[C@@H](Cl)c2ccc(Br)cc2)cc1Cl 96272501 RTPCKRIWAHHMNW-GOSISDBHSA-N 511.638 6.488 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(C(=O)/C=C/c4ccc5c(c4)OCO5)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102252900 WQIGGQKKDOHPKB-ODXWJQBASA-N 578.658 5.915 50 1 KKGF COC(=O)[C@@H](CC(C)C)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 103231903 QAUOKETXAHOAGX-BJFJPQQESA-N 618.859 6.910 50 1 KKGF O=C[C@@]12OCSSC[C@H](C3=C[CH+]N=C3)[C@H]([C@@H]3CC#CCCCc4ccccc4/C=C/C3)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)[c-](-c4ccc(O)cc4)c[o+]c3c1)O[C@H](C(=O)O)[C@H]2O 150344025 OKIOMWKBYNUILZ-UKAXXLECSA-O 892.041 6.197 50 1 KKGF biogenic,in-vitro C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@@H]2C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C 195355646 SRGPNGMDZCBGEO-JEFIDEPBSA-N 507.769 5.935 50 1 KKGF CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 195478427 SWWCJTUVSXJESY-HZFRXHCASA-N 613.874 5.956 50 1 KKGF C[C@@H]1CC[C@H]2[C@](Cc3cccc(F)c3)(C[C@@H]3C(=O)O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253681807 CSXMYAHZUIGMRS-IOESFTFKSA-N 656.744 5.906 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCCC1 299822527 IRZYUTJCYKVYJW-GOJREDGKSA-N 570.665 6.122 50 1 KKGF COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc(OC)c1OC 299831319 JBSDYVHXYVYFRQ-SANMLTNESA-N 556.615 5.598 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054052 BORJPCQNJGBCFK-AUWJEWJLSA-N 554.197 8.123 50 1 KKGF COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(I)c1 587180519 SVXUHZXYQTVRFA-UHFFFAOYSA-N 555.104 7.263 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)ccnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190723 OJJRZZMUDCUDNE-KURQEFGWSA-N 597.200 6.643 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)[C@@H]1c1ccc(F)cc1 587319253 AWVAZFCYQQJCLG-PPTMTGTBSA-N 600.440 7.013 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)[C@@H]1c1ccc(F)cc1 587328762 CLIFXAYNCVKEOG-XMSQKQJNSA-N 514.149 6.627 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1scc(Br)c1Br)O2 587412476 ZFYIPZIESVSEJS-OAHLLOKOSA-N 510.045 5.419 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@@H](Br)CC(=O)O)N1 587669536 DVXCKHUBZLICBG-XAILHKCVSA-N 505.609 5.258 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 587673814 QFZFHNVGADMNQX-SXBQZSJRSA-N 541.343 7.062 50 1 KKGF COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)cc1 587681771 ANNWEUNHVWVDNT-YVORESIASA-N 557.847 5.491 50 1 KKGF COc1ccc2c(c1)CC[C@H](Br)[C@@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962411263 ZUUZKYXZSDQVDL-JGBIIJINSA-N 625.519 6.304 50 1 KKGF C[C@@H](Br)C1([C@@H](C)Br)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962565413 ABFSRRRMGHEDHL-RYUVBPIJSA-N 614.334 6.104 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCl)([C@@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962624508 FHPUGIBBHKEUHK-IABYTQIASA-N 611.132 5.195 50 1 KKGF COc1ccc2c(c1OC)[C@]1(C3=C(NC(C)=C(C#N)[C@H]3c3ccc(C)cc3)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674161 NEDMEZYNYDYNGB-FOEBFOTMSA-N 647.697 7.882 50 1 KKGF Cc1sc2c(c1C)CCN[C@]21C=C2[C@@](C)(CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)[C@]2(C)CC[C@@]3(C(=O)O)CCC(C)(C)C[C@H]3[C@@H]12 963019675 IADZKSJISUQAPI-RWTNFEQFSA-N 628.923 8.441 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCCCl)(c2ccc(C)cc2)N1C(C)=O 963302368 MUHPJJRMISXYKK-KIVZLOICSA-N 750.270 6.061 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSC2(CCCCC2)c2c(ccnc2N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(C)C(=O)O[C@@H]1C3 2356292561 TZBRZAQFWAYTJE-ABYKADRBSA-N 730.909 6.769 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OCO)c2-5)[C@@H]1COC(C)=O)C=C[C@H]1N[C@H]2CCC[C@@H](CSSC[C@@H]1O3)C2 2356299901 IMSGNEUIPDTTAV-LIYYGDMUSA-N 928.186 8.674 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356301062 QUNNISIZTVWMIP-UUPNJWIUSA-N 755.959 7.080 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C=O)[C@H](CCCO)C[C@]3(C)O)[C@@H]2O)COCC#CCC(C)=CCC1 2356371529 LDQNLPZZUAQZKQ-DIUPWSRUSA-N 580.806 5.380 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@@H]([C@](C)(O)C1CCN(CCCOC)CC1)C3 2356388548 JTFCALOVYPLEOP-CWAARINRSA-N 742.866 5.171 50 1 KKGF CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@H]3C(C(C)C)=C(C=O)C[C@@]13C)C2=O 2356390592 AEVDRGYEHJFKLT-HUPCEBKBSA-N 508.699 6.673 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCCO)c1cc(CO)c3c4c1C[C@H](CO)C[C@H]4CC[C@@H](C(C)=O)N3)CC(=O)CC2 2356393434 KATZATUJIVNKMN-DBSJOTKBSA-N 929.211 7.983 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCC[C@@H](CCCC(=O)OC)O[Si](C)(C)C 2356422462 MLJDUZQZKNJLMX-HKBQPEDESA-N 526.963 11.152 50 1 KKGF C[C@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C[C@H](C)CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@@H]1O 2356537809 GTLHTVNKXAOYFH-SANUXNIDSA-N 672.174 10.742 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356707142 IMLUWNIGOXGNKD-ZMRLEGJPSA-N 897.173 7.591 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CC4(CCCC4)C[C@H]1C=CC1=CNCN13)c1cc2cnc1N 2356826487 HXSVGMVEVXLZLN-NJUCHHOASA-N 724.993 8.215 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1CCC3=C4C=C(NCSSC[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@H](CO)[C@H](O)[C@@](O)(C[C@]41C2)[C@@H]5O)NC3 2356835500 KSIZWNGEHYVTNO-MULBAABTSA-N 953.189 5.753 50 1 KKGF CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](CCOCCCO)C1 85596931 MKULTUILHHYMCV-UCKJARDISA-N 771.059 6.460 50 1 KKGF biogenic,in-vitro CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1 95549468 FZIJJLXVCAPXNY-GNFJTHHVSA-O 779.911 8.337 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)C(C)=O)[C@@H]4CC[C@@H]3C2)OO1 95578182 KZAJPTISXVVWLW-MRSZIMKESA-N 524.717 7.766 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@@H]4CC(C)(C)CC[C@]4(C)CC[C@]23C)C1(C)C 136546275 MWNUKDNQVBDUFQ-QFKHZMIZSA-N 500.764 8.208 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586878 JCYKJXXKGWVVNG-TWJUONSBSA-N 775.874 9.393 50 1 KKGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)Nc1ccc(OC(F)(F)F)cc1 299828782 WSNPRIFOTLCKAP-UHFFFAOYSA-N 524.543 6.068 50 1 KKGF O=S(=O)(Nc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 587171181 LUJDGUSLVBICKF-UHFFFAOYSA-N 572.350 7.590 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F 587331448 QKLFVKABDOYGHH-FYYLOGMGSA-N 525.292 6.208 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(F)(F)F)cc1 587546244 IPGOZGLMJUTMFT-RPLLCQBOSA-N 527.926 6.914 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 587677095 GLFCOSQAJWPHSH-NPMABZOXSA-N 570.684 5.625 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 587840348 KKCFADLTXZHYHJ-NYHFZMIOSA-N 511.844 5.033 50 1 KKGF C=CCn1c(C)cc([C@@]2(CCl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)c1C 962677734 MLUUXGHMJAVPFM-NDEPHWFRSA-N 547.017 6.508 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(C(C#N)=C[C@]3(C)C4=CC(=O)[C@@H]5[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962684076 YPZIIAUDEBQAFR-SCAMLTFCSA-N 826.997 10.352 50 1 KKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 962949793 QVBPTVCHNJXBRP-YIFZBPKDSA-N 506.238 5.337 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1cc(OC)c(Br)cc1O 962985073 ATBGZJVXTBHZOD-MUUNZHRXSA-N 623.327 5.974 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2NCCc3nc4ccccn4c32)C[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 962986266 RUWBAWSXSQFJFP-DRVYDUGISA-N 624.902 6.113 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CBr)(c2ccc(I)c(F)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963224719 MSCGROPSELPQKD-NRUKRWIHSA-N 836.336 6.990 50 1 KKGF Cc1ccc(C(=O)NNC(=O)[C@]23CC[C@@H](C)[C@H](C)[C@H]2C2=CC[C@@H]4[C@@]5(C)Cc6cc7ccccc7nc6C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)cc1 1772604810 GGVYYCXQZKOXAG-VHJCMGKSSA-N 671.970 9.676 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Nc1ccccc1 1857583310 KVEUCCKNRJWLSD-WXTZLZKPSA-N 678.950 9.956 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCc1cn(CCCCOc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)nn1 1857636421 VJEYGDJQROXPHC-AREMUKBSSA-N 613.205 6.894 50 1 KKGF Cc1ccc(NC(=S)NNC(=O)c2ccc3[nH]cc(C(c4ccc(C)cc4)c4c[nH]c5ccc(C(=O)NNC(=S)Nc6ccc(C)cc6)cc45)c3c2)cc1 1857758790 LDFPASXSXPFVGY-UHFFFAOYSA-N 750.954 8.017 50 1 KKGF COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c(OC)c2)ccc1O 1911577199 LPXSBXNQZFDAMR-NCOQDCJCSA-N 734.795 6.101 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@H]3CC[C@@]1(C)O3)C2=O 2356336486 NLSPRIUKOHATQS-FOUKYUHESA-N 511.442 5.292 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC)c1O 2356353793 SSHFTLHZEMDSCW-JWVBMCHISA-N 640.820 6.572 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOC)C3)c2)N1 2356355574 GSZWBAPHWVGDJI-OBGHOQADSA-N 751.028 6.871 50 1 KKGF C=C(C=CC=C(CO[C@H](CO)CCCCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356358817 XRRICYWIGMOVLF-PXNXSBTJSA-N 887.256 7.255 50 1 KKGF C[Si](C)(C)OC(=O)C1C(c2ccc(O[Si](C)(C)C)cc2)C(C(=O)O[Si](C)(C)C)C1c1ccc(O[Si](C)(C)C)cc1 2356549897 LKRSQFNXURZKDX-UHFFFAOYSA-N 617.052 7.984 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O 2356615273 CHCVEXNSFVRPDV-WZYXRVJKSA-N 654.973 9.496 50 1 KKGF C=C1C[C@@]23C[C@@]1(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@@H]2[C@H]3C(=O)OC 2356673276 FIBPEYBXIIRIQW-XUSLVJOGSA-N 506.788 5.058 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC1(CCCCC1)[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356768327 OKHULJAVBCFWEW-FBQXVMQLSA-N 668.022 8.337 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OC)C(=C2C[C@@H](CO)C(=O)[C@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356775545 MZGSZNLRXZXROF-WTIFBHMASA-N 701.813 5.611 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)CCC=C(C)CN[C@H](C)CCOC 2356780116 LMPNKBJHSNHPPL-SUXLIXIBSA-N 656.949 5.089 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4N=CC=C4C3)[nH]c(=N)c1CSSCC[C@@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@@H]1OC2=O 2356814733 CKTNMESDXWQQQU-MZGIQFMXSA-N 823.998 5.197 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(CC5=CCNC(N)=C5)CC(=O)N(Cc5cc(c6c(c5O)O[C@@]57C=C[C@H]6C[C@H]5CCC7)C[C@H]1CC[C@H]3C2)C4 2356815447 CRQCXZDLGWSZFN-GWPOOZCUSA-N 983.399 9.347 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@@H](O)C2CCCC2)C1 2356817159 DIDJKGYPHJQHLR-ZSQFEIRUSA-N 877.227 5.502 50 1 KKGF O=[S@](c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccc(N(CCCl)CCCl)cc1 14300065 ANKVPXCREYQFAD-BHVANESWSA-N 534.512 7.582 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)OP(=O)(OCC)OCC 26402838 PYJCCAGXSBOWEO-FLWPSCPDSA-N 566.628 6.082 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]24C)[C@H]3C1 29550989 JWVNQLCXQNERFL-XSRQJANLSA-N 533.591 7.490 50 1 KKGF CCOC[C@@]1([C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3 64437108 ZPXGMBADRITXSG-LUVOCZPISA-N 606.760 6.049 50 1 KKGF CCCCCc1cccc(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC3)c1 85549468 VEZOGQFECMNUIM-KXQJLVKNSA-N 668.026 6.873 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(O)(COCc3ccncc3)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95613011 XMMKAHFQBSMTGH-JEDPFHIUSA-N 713.909 6.611 50 1 KKGF Fc1ccc(C(OC2C[C@@H]3CC[C@@H](C2)N3CCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 100900676 TVUOOUQDGYWZPB-NSOVKSMOSA-N 504.646 7.433 50 1 KKGF COc1ccc(/C(C)=N/NC(=O)CSc2nnc(-c3nc(C(C)C)cs3)n2-c2ccccc2)cc1 103192604 FZMLYNCUIBOZDK-WPWMEQJKSA-N 506.657 5.155 50 1 KKGF COc1cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c1C(=O)NNC(=O)c1c(OC)cc(OC)c2c(-c3ccccc3)c(-c3ccccc3)[nH]c12 150605538 ANUVOZYOSYXEBR-UHFFFAOYSA-N 742.832 9.426 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](Cl)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169372147 YNMLUPLDAJOVTM-BXTWGCIZSA-N 605.212 5.778 50 1 KKGF C[C@@H]1CC[C@H]2[C@](CCCCc3ccccc3)(C[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253646610 PQWICQFZDCPUIL-DLJIHLSFSA-N 680.835 6.937 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587324458 ZKBDNPJWQOFBTK-XTEPFMGCSA-N 531.381 7.596 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)[C@H]1c1ccc(F)cc1 587326803 CVPMBIMINVTLFR-UNMCSNQZSA-N 529.711 6.853 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCc1ccccc1 587329043 WUEPQOGRLPSYHK-LBRLCBGXSA-N 560.021 6.406 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2sccc2Br)[C@H]1c1ccc(F)cc1 587376852 QHSFTWNVVIMAEF-PXNSSMCTSA-N 512.194 6.005 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587540040 ZMVNFCPJKIWGCR-PGRDOPGGSA-N 510.167 5.960 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C(c1ccccc1)c1ccccc1 587688784 OEPRLFDCHPZXLJ-HZAQMHFWSA-N 551.931 7.661 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587718660 OILASBBHYKLUDY-GVKIURNNSA-N 624.994 5.904 50 1 KKGF COC(=O)c1c([C@]2(CCl)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(C)n(C(C)C)c1C 963020748 NBVUAINBJYIUOQ-WHMAPKLYSA-N 611.142 6.103 50 1 KKGF COC(=O)CCCn1c(C)cc([C@@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1C 963032097 CAVFRFVWRHYVAY-GOJCVTOHSA-N 677.144 7.079 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(OC(F)F)cc1)([C@@H](Cl)C(=O)c1ccc(OC(F)F)cc1)N(C(=O)c1ccccc1N)CC2 963142468 PSJGANBPAXTORZ-BFGHFXMOSA-N 673.059 6.921 50 1 KKGF C=CC[C@@H]1C[C@H](Cc2cn([C@H](c3nc(C(=O)OC)co3)[C@H](C)CC)nn2)C[C@H](O[Si](C)(C)C(C)(C)C)C1 1857554808 BPBMRQGVOOVVIC-IMMNJVOHSA-N 530.786 6.614 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c1 2356317935 BGCNYURORKRGBT-SXDPQWRYSA-N 936.206 7.458 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C1=C(C=O)CCC[C@@H]1C[C@]2(C)O)CCC=C(C)C 2356349654 LAAZINDHBVPJPR-XMUFLMFFSA-N 556.784 5.377 50 1 KKGF COCCC[C@@H]1CCC2(CCCC2)C[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@@H](O)CC4 2356475801 QCXYAINKZKXOLG-LXRIQILRSA-N 957.313 7.441 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H]1OC(=N)O 2356516070 KQQDTKLGLAIGOF-SFGKGQALSA-N 808.668 11.832 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356580382 POBGPCVUKBTWEA-KACHQMEUSA-N 781.091 6.282 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@@H]2O)c1ccc(NC[C@H](C)O)c(CO)c1 2356668924 HDMUASCQPLURIQ-DMQLGPFFSA-N 762.991 6.831 50 1 KKGF CC(C)=CC[C@@]12O[C@]3(O)[C@@](C(=O)CC(C)C)(C1=O)C(C)(C)[C@@H](CC=C(C)C=O)C[C@]3(CC=C(C)C)C2=O 2356687079 CRJBCLDWIBFYIG-CNDPMDSNSA-N 512.687 5.478 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(CCC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356730186 NAFNUTQSAMGUFA-VEXZABHESA-N 928.264 7.552 50 1 KKGF CCCCC[C@]12Cc3ccc(O)c(c3)O[C@H]3CCC[C@@](NC(=N)NC)(CSS[C@@H]1CC[C@@H]1[C@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]12)C3 2356740639 WVEUDLTVALHUTE-UUYSUZABSA-N 849.129 8.369 50 1 KKGF CN[C@@H](Cc1ccc(O)cc1)O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356767402 AEOMGZSKJYCRDS-ZBWWXOROSA-N 647.859 7.763 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCCO)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356772997 NVIGVSVOWJJEDT-WTZNJMSZSA-N 960.306 6.669 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1 2356854623 RQTICLPJAKPZAA-IKXCTNAYSA-N 805.079 7.125 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=CCN=C1 2356871796 YLCVMWQVNKGVGF-UHWWXUSPSA-N 858.024 5.496 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3c(C#N)cccc43)cc2c1 35975199 ONBRUSLZBBCEOY-GOSISDBHSA-N 517.973 5.024 50 1 KKGF COc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1cc(OC)c(OC)c(OC)c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l)CCCl)CC[C@H]23)C1 95551482 QPXOZGQIANIWMT-GSTIYLCESA-N 808.029 12.440 50 1 KKGF O=C1C(O)=C(c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(=O)c2ccccc21 95562715 ISYFJJKTWQWLHN-UHFFFAOYSA-O 667.806 9.529 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2cc(Br)ccc12)=N/O)/C(Cc1c[nH]c2cc(Br)ccc12)=N/O 95579875 YGHBEBZQOXWDLY-IENBMRAWSA-N 710.474 5.234 50 1 KKGF N#Cc1c(-c2ccc(Cl)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933478 HOPJNTAXNFGXMX-DQEYMECFSA-N 510.384 6.512 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@@H]1C(C)(C)O[C@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 100774137 COQAPWLZSHQTKA-MLRFICDDSA-N 544.644 5.627 50 1 KKGF endogenous,in-man CC(C)(C)OC(=O)NNc1ccc(C(F)(F)F)cc1C(=O)/N=c1/sc(C(C)(C)C)cn1C[C@H]1CCCO1 118246272 DFFMMMQYOJBYBS-DZFJRQEYSA-N 542.624 5.638 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 150347682 GBRHWUKNSFOPBP-STQJVQSDSA-N 957.265 8.592 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 150348701 CHRYVEKIFGNIEW-GABXKREBSA-N 877.231 7.739 50 1 KKGF biogenic,in-vitro CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4cccc(F)c4F)cc3F)c3c(N)ncnc32)C1)N1CCOCC1 205479471 NMPVOGJLOPRRNR-ICFXLVBESA-N 646.674 5.009 50 1 KKGF CC1=C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)[C@](C)(C/C=C\C(C)(C)OO)[C@H](O)CC1 238787838 KKUBOUCKYPCBMT-HRMOBUKRSA-N 508.740 5.944 50 1 KKGF C=C(C)[C@@]12C[C@H](C)[C@]34O[C@@](CCCCCCCCCCCCC)(O[C@H]1[C@H]3[C@H](Cl)[C@](O)(CO)[C@@H](O)[C@@]1(O)C(=O)C(C)=C[C@@H]14)O2 255213833 GSWISJIODRZHEN-NWYNCPQJSA-N 625.243 5.078 50 1 KKGF CC(C)OC(=O)CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)c1ccc(N(CCCl)CCCl)cc1)[C@@H]23 473083005 AMNBKDQQTXJRRR-DIFDANTBSA-N 552.587 5.408 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3cccn4c(Br)cnc34)[nH]c2c1 587006528 FNOJIYUUFTUZFQ-UHFFFAOYSA-N 518.103 7.060 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057291 VAJLCSSDYZRENG-QPEQYQDCSA-N 522.180 7.382 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c2c1 587085111 KWAFAUXDCDGNJU-UHFFFAOYSA-N 511.701 7.760 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1Cl 587323922 USIOCSRYRYBQFE-XGHFZOJJSA-N 505.767 6.231 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587324688 STOUHMQPSZJXQA-BOACMQGQSA-N 531.967 6.040 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587324690 STOUHMQPSZJXQA-DNCXPJJSSA-N 531.967 6.040 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 587329684 LUCRGUPIOVTNFP-XMSQKQJNSA-N 531.246 6.478 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@@H](Br)CC(=O)O)CC2=O 587451096 HXRAHDMJLXXNGS-RXVVDRJESA-N 512.194 5.206 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@](C)(CC)NC(=O)c1cc(Cl)c(C)c(Cl)c1)CC2=O 587458865 LUOLQMDTTZJPRN-DQEYMECFSA-N 512.861 6.501 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)O1 587558957 YMNVDWJNYBNHTO-IKOLDAMLSA-N 667.170 6.426 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2ccc([C@@H](C)CC)cc12 587642305 MTPXYRQIXLLVDN-PYFHKYOESA-N 654.219 7.591 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 587684908 MVXKYGFJPJVXHZ-IVCQMTBJSA-N 501.827 5.982 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2Br)N1 587728384 RXWNHJYKHHRUHR-XYZCENFISA-N 510.014 5.663 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)n2)cc1OC 587856811 YIRRDMDDFPUEHV-ZRAONMGGSA-N 550.881 6.005 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CCCl)c3ccc(C(C)(C)C)cc3)c(O)c2C(=O)O1 962968734 LSSBXVJKNKWADK-PHZPDYPLSA-N 610.534 6.469 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963095201 ZONZGJPWOIPXNO-OCZFFWILSA-N 720.557 8.831 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)(c2cc(C)n(-c3cc(F)ccc3F)c2C)N1 963159011 OTILUDKKHQOBOW-YCCSSRHFSA-N 703.233 8.135 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCC3)c2)ccc(O)c1OC 2356292985 YBXOPLDFUVGQFH-KDELUHRISA-N 974.299 9.755 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356301370 VQQFSRWWXVYPTN-HHYDURQASA-N 931.323 8.950 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC2(CCCC2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356367398 BURDDWVCGZLHHY-KQGGDTQVSA-N 968.428 9.453 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C(=C6CCCCC6)C[C@H](O)[C@@H]5C)[C@@]4(O)C3=CC(=O)[C@@H]12 2356490274 CHCDGNZXCSYHDX-PLKHWPDSSA-N 756.132 6.760 50 1 KKGF C[C@H](O)CNC[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCCC[C@@H]5CSSCc6cccc7c6C=C[C@@H](C[C@@H]5N)[C@@H]7O)o4)ccc3O)[nH]c2CC[C@H]2CCC[C@H]12 2356636947 AKVRVVKPGWHRHS-NCXVQZQWSA-N 900.261 8.828 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4[C@H](CNC(=N)N)[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@@]34C)[C@@H]2CCCCC2=C51 2356652830 RTNGFZYHHABRLC-IVPAHUSYSA-N 886.282 7.215 50 1 KKGF CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 2356655653 JVJVFLRXLPZVAS-QBCUZEBRSA-N 968.251 9.403 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NC1CCCC1)c1cccc(O)c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c3cccc(c3)C[C@H]1C2 2356856285 RZJVIQQDROCCFS-YSZZNLFYSA-N 597.887 5.835 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@H]1CO 2356867495 WSGMSXWFGNMVNE-JWBUMMCMSA-N 748.020 6.568 50 1 KKGF CCNC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)C[C@@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCC(C)CC1)OO5 84581992 LFYVETSPEPPKAU-UZEJOGGESA-N 661.877 6.794 50 1 KKGF C[C@]12CCSS[C@@H]3CC[C@@H]4c5cccc(c5)CSSC[C@H](CC5=C6C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]62CC5=O)C[C@]31N=C(N)NC[C@H]41 150342321 BNYHKIVHSSVGSC-MRVHMKEZSA-N 714.101 6.965 50 1 KKGF biogenic,in-vitro CCCCCC[C@]1(C[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372880 REXRRVDGTFBNLC-SQNUWEABSA-N 632.791 6.494 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)NCCCNc3c4ccccc4nc4c3[nH]c3ccccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473126724 UMFBEDYTYHWZCL-ZRABYRIFSA-N 656.780 6.319 50 1 KKGF N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587259843 NEQGAECKFZXTNB-QFIPXVFZSA-N 719.531 7.972 50 1 KKGF COc1cc2c3c(c1)O[C@]1([C@H]4C[C@H]5[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]6(Cl)[C@@H]4[C@@H]5[C@]1(Cl)C6(Cl)Cl)[C@@H](C2)C3=O 587423584 UXFRCRDCLJZTTP-OUWPLLSFSA-N 541.085 5.435 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)CC(=O)c3ccc4c(c3O1)CCCC4)CCCC2 587536267 TYPGLWNGVGUHSG-GDLZYMKVSA-N 506.067 6.592 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 587673612 OURBMFZTNYWYLX-BSEYFRJRSA-N 501.237 6.332 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 587687291 ZPKMIZJOAOPXSB-YEBMWUKDSA-N 567.242 6.153 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 587727323 NXSPOWVGFXJOGK-RKNYENMMSA-N 540.235 6.384 50 1 KKGF CC1=C([C@@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 962702156 HMASSUOUHPYQQY-FWRJAOSUSA-N 600.215 6.921 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962719607 UHRXHRCMBSCTFY-OPDMJNPFSA-N 704.612 6.839 50 1 KKGF C[C@]1([C@@]2(O)[C@H](Br)C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962761953 IKBNORFGFGIHHH-VZFMEOBHSA-N 608.539 6.184 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1ccc(Oc2ccccc2)cc1 963138733 IBWAWNPVXADSTC-NLFFAJNJSA-N 545.455 5.820 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc(F)cc1)([C@@H](Cl)C(=O)c1ccc(F)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963726846 ASENTLQKIUKXEC-LRHLLKFHSA-N 629.059 6.465 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2oc3ccc(F)cc3c2C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937567 GGOKRWOOUAILJF-OAFUYLPUSA-N 730.722 6.656 50 1 KKGF CCCCCC[C@@H](Cl)CCCCCc1c(O)cc(CCCCCC[C@@H](Cl)CCCC)cc1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 1772652750 NYUHMGANIQYFOK-JITOVPHYSA-N 633.738 8.181 50 1 KKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@]12C(=O)N(Cc1ccccc1)c1c(Cl)cccc12 1857553867 ZADSDMRNIHQCKT-XIFFEERXSA-N 573.992 5.738 50 1 KKGF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)c2ccc(N(CCCl)CCCl)cc2)C=CC(=O)O1 1857639408 JCTKTRVYWQLSGX-IFRSFYTMSA-N 524.485 5.111 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCn4cc(CNC(=O)CCCC[C@H]5CCSS5)nn4)cc3oc2=O)cc1 1857746142 ZIAIQHZQKCLUEE-SANMLTNESA-N 594.759 5.860 50 1 KKGF C/C(=C\CC/C(C)=C/CC[C@@H]1[C@@]2(C)CCC(=O)C(C)(C)[C@@H]2CC[C@@]1(C)O)CC/C=C(\C)C(=O)OCCBr 1857747313 CRVVXQWJDRYRKK-PTRBKGSPSA-N 579.660 8.277 50 1 KKGF CC1(C[C@H]2CC[C@@]34CC[C@@]2(C=CC(=O)CCc2ccc(O)c(c2)OCCc2ccc(O)c(c2)[C@H]2CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc52)CSSC3)C4)CCCC1 2356291674 AAAMHDKNMUIHKQ-LBAQUPLGSA-N 884.221 10.766 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1c(CNC)c(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@H]1N[C@H]2CCC[C@@H](CSSC[C@@H]1O3)C2 2356315380 STMCPQMAHPFADU-OAVKVVOWSA-N 955.256 9.074 50 1 KKGF CCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1 2356334667 LJLORIMRLLORHA-SCUQQEFGSA-N 647.765 8.571 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356450955 PCRGTPLJNHBCSV-MJGLDHQDSA-N 821.123 6.451 50 1 KKGF C=C(C=O)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@H]3[C@]4(C)CC[C@@H](OC(C)=O)[C@@]3(C)COC(C)=O)[C@H]12 2356587106 YRXMJZHBWIPRHC-DQLZXHLTSA-N 540.785 7.318 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356604943 LENSIYIFVVWJNS-UEXPGFJMSA-N 745.102 7.492 50 1 KKGF CC(=O)OC(=O)C(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O 2356706995 XZSHGKKTJFGQGM-UHFFFAOYSA-N 502.651 7.620 50 1 KKGF C[C@H]1CSS[C@H]2C=C[C@@]34C[C@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)[C@H]3C[C@@]1(CC[C@]2(CC[C@H](CO)C2)C1)C[C@@]41C=CC[C@@H](C)C1 2356778718 CEJVZGWIGLXKQA-CZUOCZBJSA-N 724.133 10.681 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](O)C[C@@]4(C#C[C@@H]3C=C12)C[C@@H](c1ccccc1)CC[C@@H]4CO 2356816722 DEFLZRDLYHDVAS-VOZPFPDMSA-N 966.320 6.842 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356832063 JTFFRDHHODAKIN-HTMPBJFMSA-N 803.060 5.407 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356849318 PVCRGSNCIZTILO-OIQQGMIWSA-N 770.114 9.793 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356855352 RCMGBONMARBAHD-MJYFJXRRSA-N 881.263 8.058 50 1 KKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1cc(Cl)cc(Cl)c1)OO2 64453947 NPYPTPXROQJAFG-SBMCDBDJSA-N 508.445 7.881 50 1 KKGF O=C(CCc1c[nH]c2ccc(Br)cc12)NCCSSCCNC(=O)CCc1c[nH]c2ccc(Br)cc12 95573969 YEAVHNCONOGDLW-UHFFFAOYSA-N 652.478 6.353 50 1 KKGF O=P(OCCN[P@@]1(=O)OCCCN1CCCl)(OCc1ccccc1)OCc1ccccc1 101242108 YUJWOEPMSUFTPV-WJOKGBTCSA-N 502.872 5.204 50 1 KKGF CC(C)/C=C(\C#N)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 149475392 FXEUQEMBQKIUER-ACSPXDACSA-N 525.588 5.276 50 1 KKGF CCc1cc2c(nc1N)C#CCc1c(CNCCCO)c(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 150343165 SUNSXOAIINPOOM-YSMVISCBSA-N 999.309 8.996 50 1 KKGF biogenic,in-vitro Cc1cccc(C(=O)N(N(SSN(C(=O)c2ccc(Cl)cc2)N(C(=O)c2cccc(C)c2)C(C)(C)C)C(=O)c2ccc(Cl)cc2)C(C)(C)C)c1 150573946 JWTJEGMBYWWOBR-UHFFFAOYSA-N 751.802 10.118 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(CO[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@H]1[C@@]23OO4 299846440 RPVOJEKMAVTVFM-INFSAKNWSA-N 550.689 5.216 50 1 KKGF CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586939237 ZMDRRQGXLIPHQN-INIZCTEOSA-N 515.595 6.610 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccc5c(c4)OCO5)o3)nc2c1 586969389 KEKLTVGXISHXIB-UHFFFAOYSA-N 557.320 7.054 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)[C@@H]1c1ccc(F)cc1 587329130 KOEGWALVBBRTJS-VWNXMTODSA-N 517.866 5.624 50 1 KKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(C#N)=C2Oc3cc(N(CC)CC)ccc3N=C2c2ccccc21 587468118 IBBFIVVMDTVHCY-JGCGQSQUSA-N 519.601 6.356 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)sc2n1 587617576 KJXYBJSKAFGTSO-FNZWTVRRSA-N 508.983 5.673 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 587673594 OPXYKDSYPHKVID-RKNYENMMSA-N 515.220 5.854 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 587676467 DSUHRAZGEBCATO-NPMABZOXSA-N 570.684 5.625 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 587721566 PLGAKUVWUFGCFN-QPFGOUBPSA-N 500.008 6.207 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962641014 MXTCNNYJVUZBKY-QVWWMRLHSA-N 633.961 6.752 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cc(C)n(-c3nccs3)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679383 RTXRREXNRGJFLD-NDEPHWFRSA-N 590.067 6.768 50 1 KKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)c2ccsc2CCN1Cc1cccnc1 962996259 HYZUGQPMBSPABY-XMMPIXPASA-N 517.667 6.925 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CCCCCCCl)c1cccc(C(F)(F)F)c1 963152342 UHSBACKTZYZMHO-DVECYGJZSA-N 547.039 6.841 50 1 KKGF CCCCCC[Si](CCCCCC)(CCCCCC)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857555891 OEWLALSKZKZRCS-WQNBNKQHSA-N 753.194 11.064 50 1 KKGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccc(OC(F)(F)F)cc3)N(CCCl)CCCl)cc(O)c21 1857621126 QKTBVOGFMVRFQZ-QFIPXVFZSA-N 554.348 5.641 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(C)O)CCC=C(C)C 2356350230 XRKSHLBMQQSJSI-YFRQEOJZSA-N 554.768 5.009 50 1 KKGF C[C@@H]1CC=C[C@@](C)([C@H]2C[C@@H]3C[C@H](Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@H]3SSC4)C2)C1 2356350723 IUVWLTGWZVUROF-FCJRNWFUSA-N 561.901 8.956 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@@]34CC[C@H]5C[C@H]6[C@@H]7C(O)=C[C@H](OC)[C@]7(O)[C@@]5(CC=C[C@H]3[C@H]1C2)[C@]64C 2356353068 HNPBVJXCUIDARE-HPJXZDALSA-N 623.925 6.800 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@@]21O 2356354691 OVOIZBXALGFDPS-NTKXXRAJSA-N 928.363 8.530 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H]4c5cc(ccc5CO)CSSC[C@@H](CC5=C6C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]62CC5=O)C[C@]31NC(=N)NC[C@H]41 2356371306 JFRYEWCCUQVEIL-ADPIQXMMSA-N 744.127 6.667 50 1 KKGF CCCCCCC=CCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356525554 SBWPODCMBUGMQH-RCCQJTKVSA-N 739.179 13.200 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@H](CC)C1)C4 2356705884 HRNCZGWSJWKJRO-WVQBHSAUSA-N 841.011 5.874 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Cl)CCCCC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356746108 UYCWFCMOPJKMKJ-YSIFMGPRSA-N 533.281 10.416 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@H]4C1=C1C[C@@H](CC#CO[C@H]43)CC[C@@H]51)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356774948 FVMMVESVLZSFHQ-URNMEASGSA-N 825.194 8.875 50 1 KKGF OC1=C(Oc2ccc(Br)cc2Br)[C@H](Br)[C@@H](Br)C(Br)=C1 2356786359 AOARUSLMRJGGMJ-WDEREUQCSA-N 582.706 6.179 50 1 KKGF CC(=O)O[C@@H]1c2nc(cs2)C(=O)O[C@H](CCC[C@H](C)Cl)[C@H](C)C(=O)O[C@H](C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C 2356841477 NJCRSCPKMAXMKK-SIDKUJJXSA-N 631.169 5.167 50 1 KKGF O=C(O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)/C(F)=C/c1ccccc1 27716167 MMXXNWFEDFCQOS-VUZIPCMWSA-N 669.656 5.252 50 1 KKGF CC1(C)[C@H](C(=O)O[C@@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1[C@H](Br)C(Br)(Br)Br 43068516 YWSCPYYRJXKUDB-VJANTYMQSA-N 665.014 7.461 50 1 KKGF in-vitro CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccsc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 43648955 ZUXDAZANGKORIH-BFPZXHAJSA-N 579.542 5.909 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CCCCCC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 95552735 WGVWKOGGAZAROY-NUYRGHLFSA-N 618.764 6.104 50 1 KKGF CCCCNC(=S)NC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 101879424 IPMQIBBOLQEKFZ-DEOSSOPVSA-N 604.585 5.251 50 1 KKGF CC(=O)O[C@H](/C=C/[C@H](C)CCC=C(C)C)/C(C)=C/CC[C@@]1(C)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]1(C)O 103546630 HLWDNSYLWSVZSK-MOCYTRCDSA-N 516.763 7.039 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCC4CCC(CC4)[C@@H](CC1)[C@H](O)C2)CC3=O 150348597 JJMUCYRTZKBBSW-LQBGLZLPSA-N 981.383 9.638 50 1 KKGF biogenic,in-vitro CCCC[C@@]1(C[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372817 ZYVYKCLKFGRXRO-KMDLCMMASA-N 604.737 5.714 50 1 KKGF CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)OC[C@H](O)CCl 299838890 RKKUYLWNXGUBNM-HHFJJFHXSA-N 559.571 5.104 50 1 KKGF [C-]#[N+]CCOP(OC[C@H]1O[C@@H](n2cnc3c(O)nc(NC(=O)C(C)C)nc32)C[C@@H]1NC(c1ccccc1)(c1ccccc1)c1ccccc1)N(C(C)C)C(C)C 306120600 IFGRDOJBWNVDBT-MICLYWDSSA-N 778.895 7.662 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccnc(Cl)c3Br)nc2c1 586979905 YANXHQXSGNEOMF-UHFFFAOYSA-N 513.511 7.461 50 1 KKGF Cc1ccc(-c2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(C)s2)cc1 587013739 XWQNTDIQZAPMKO-UHFFFAOYSA-N 510.351 8.390 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191131 PGGHCMAVOJOCBU-GMNGCZMBSA-N 680.759 7.644 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322438 HAPYCXUCUVWXQR-MPBSFFGJSA-N 576.407 6.598 50 1 KKGF COc1cc(Br)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587537079 AJFWLXOYXCBYDN-NFBKMPQASA-N 550.199 5.424 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c3ccccc3C1=N2 587573675 UGFPKWHZIBFRGF-ANHUGMMASA-N 555.590 6.400 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587669318 CVCOINBMBQFPBR-ZQNCRGTDSA-N 577.288 6.030 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 587674427 WPDVJVDKLWBUAU-GCQGFVAMSA-N 524.110 5.914 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1\C(=O)c2ccccc2[C@@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953486 IVPWKLCKCRRGIO-GELNIQQISA-N 547.577 5.005 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cccc(OC(F)F)c2)N1C(=O)c1ccc(Cl)cc1 963034147 YMDQTKJKVKJJAW-WXVAWEFUSA-N 589.820 6.213 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1C[C@H]1CCCO1 963175813 MQWPNDWAEPEKLC-QRFQSNJMSA-N 505.364 5.037 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(N1)c1cc(Br)cc(F)c1C[C@@H]2Br 963196196 SDRIQQNUZOWEMR-SUNYJGFJSA-N 557.563 5.423 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c1 963547292 BBSXPBFOFUCTBG-FAIXQHPJSA-N 715.756 8.439 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCl)(c1ccc(C(C)C)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963817461 NBUMRHORJILHGE-XIFFEERXSA-N 559.106 6.839 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)N3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857655603 OBSGQVFMMKXSCV-LBINBWGTSA-N 916.023 5.825 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356292697 UOZJLUXYEQXKJX-HQSNWMKBSA-N 916.175 8.189 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2)C[C@H](O)CO 2356299424 CSUCAVOISHUWQI-RKUSQUQESA-N 950.277 8.706 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@]34C)[C@@H](O)CC1=C1CCCC2(CCCC2)C1 2356370830 UNQUAMKASISBPQ-HEZOWASWSA-N 793.193 8.874 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356442542 GVGPLUOYFCBFKB-FKIPYLPQSA-N 739.960 7.762 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@]21O 2356452874 GQUKCFKFISLYBC-OKUQEDRISA-N 911.372 10.991 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 2356597251 AMBOEYLMEUJYPF-HMDWHEMKSA-N 935.351 10.804 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@@H]2O)cc(OC2CCCCC2)c1O 2356743305 RLVYDZYETBXAAK-OPBGFZQPSA-N 738.965 7.809 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@@]1(O)[C@H]2CCN(CCCOC)[C@@H](CC)[C@H]2C=C[C@H]1CCCO)C4 2356758983 XKGCLTAKPDPXGK-RIEZMYNPSA-N 953.139 5.257 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@](CCOC)(C2CCCCC2)NCC2=C[C@H]1CCC2 2356775367 MEVQWYPZSYYZCY-AVMNCHQISA-N 925.305 7.300 50 1 KKGF C=C(C)C(=O)CC[C@]1(C)[C@H](Br)CC[C@]2(C)[C@@H](Cc3cc(C(=O)O)ccc3O)C(=C)CC[C@@H]12 2356789335 DDSAACDWDIVURT-LENYNDNJSA-N 503.477 6.711 50 1 KKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@]1(C)[C@H](Br)CCC(=CI)[C@@H]1Cc1cc(C(=O)O)ccc1O 2356836126 KXLIXIDTMVKERB-WWUAOZGZSA-N 613.374 8.070 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1C1=CCN=C1 2356850959 QCIXJWUZQRCQNY-NRJADCMQSA-N 901.137 6.297 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNC2=CC(=CCN2)[C@@H]1CCCO 2356864811 VZSNTBVKXTURSO-GKZDSONJSA-N 636.880 6.425 50 1 KKGF Cc1cc(C(C)(C)C)ccc1OCc1cccc(-c2ccc(C(=O)NNC(=O)C(=O)c3c[nH]c4ccccc34)cc2)c1 72173282 ZJROCJVDMHFPBR-UHFFFAOYSA-N 559.666 6.664 50 1 KKGF CN(C)c1ccc(/C=N/NC(=O)Nc2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)cc1 84587992 JJXDSXUCQPTGGH-DPNNOFEESA-N 660.370 6.799 50 1 KKGF CCN(CC)c1ccc2c([C@H]3C(C#N)=C(N)OC4=C3C(=O)C[C@@H](c3cccc5ccccc35)C4)cc(=O)oc2c1 95558993 NAAHDXASTHKBTH-QJWGWKRISA-N 531.612 6.001 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)OC)[C@@H]4CC[C@@H]3C2)OO1 95574565 HEFGNWUMTNSDDF-AJVDZHGWSA-N 629.676 8.754 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cccc(OC)c4o3)ccc2[nH]1 95608537 ZOXVCEOCSDZUKM-OAQYLSRUSA-N 807.182 7.191 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4cccc(C)c4)C(=O)N3c3ccccc3)s2)cc1 103179005 DUDWIYZDQUVJPK-JLFGYZAPSA-N 583.695 5.843 50 1 KKGF C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCC2)OO1 150554104 ZUEJLIYJOADQBI-UTVRUGRBSA-N 858.981 11.955 50 1 KKGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 150589841 DADDXQFCDGBGQI-LRHLLKFHSA-N 760.903 9.493 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4N=C=S)C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 169302919 JCQWJWBJYMMVMR-DLLFKZJKSA-N 561.707 5.829 50 1 KKGF Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)O)c1=O 170171117 HSRHKBARXBESOI-GEMTWJNPSA-N 659.058 6.103 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(O)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 254144240 JEVRXFJEOXKKDH-FKEBYFGASA-N 712.891 7.254 50 1 KKGF CC(C)=CCC[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 586902869 MPVWLYRPMZXWEZ-USMKDIOHSA-N 733.770 12.923 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587017616 NTIIYWBLGVRNBJ-UHFFFAOYSA-N 524.334 7.708 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 587334883 IKAXALXNIBMUGK-IRLDBZIGSA-N 553.165 5.785 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(=O)(=O)CC)c(Cl)c1Cl)CC2=O 587488140 PGGDKCGRWZAUKL-OAQYLSRUSA-N 536.271 5.701 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)[C@@H](Cl)C(=O)Nc1ccccc1 587545927 SZXWRLGETWRRPH-PAUTXSKSSA-N 530.920 5.404 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C(C)C)cc1C(C)C)([C@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671481 DQVMLLSSWIJHDN-GFJKYASSSA-N 588.110 8.539 50 1 KKGF CCc1cccc2c([C@@]3([C@H](Cl)c4ccccc4)c4c(ccc(OC)c4OC)CCN3C(=O)c3ccc(C(F)(F)F)cc3)c[nH]c12 962679743 SLRHHSLNUXDNBL-OQBISYOISA-N 633.110 8.689 50 1 KKGF O=C(NNc1ccccc1)c1cc([C@]2(c3ccccc3)c3cccc(F)c3CCN2[C@@H]2CCSC2)c[nH]1 962698032 CNHJKBPTMMLTDX-AYWVHJORSA-N 512.654 5.566 50 1 KKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]2(CBr)c1ccc2ccc3cccc4ccc1c2c34 962718141 XPMPBTUZYRZWCG-SMSORMJASA-N 530.506 7.725 50 1 KKGF Cc1cccnc1[C@]1(CCl)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963043002 SUAIZSQUXUNJQL-DICHSLLOSA-N 575.011 6.411 50 1 KKGF N#CC1=C(c2ccc(Cl)cc2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772589746 QBEMZAMNFXVLBB-NRFANRHFSA-N 502.842 6.316 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCOC(=O)CCCC[C@H]4CCSS4)c4ccccc34)[C@H]21 1857633121 NBFKMBJRWMFJFU-BNHRFMORSA-N 607.842 6.842 50 1 KKGF COc1cc(-c2nc3ccc4c(c3[nH]2)OC(N)=C(C#N)[C@H]4c2cccc(F)c2)cc(Br)c1OC 1857656015 KAGNMXHKAMNELR-FQEVSTJZSA-N 521.346 5.367 50 1 KKGF O=C(NNC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 1911574222 QJFMQUZSSBABJG-UHFFFAOYSA-N 560.639 6.369 50 1 KKGF CNCc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@H]4[C@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356353330 MDAPOCUUTCBFAR-ZAKSBPLSSA-N 761.158 5.409 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@@H](CCC3(O)CCCC3)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356354716 PIVIAJMETAGOJR-BYVDEWSTSA-N 957.265 9.124 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356389679 DITHSGNSWNYCTL-HPZSAXCPSA-N 803.141 7.739 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356530117 DFLZNRVQCYJGEJ-FONZBCJQSA-N 666.006 8.307 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@H](CC)C1)C4 2356705882 HRNCZGWSJWKJRO-LALBRHDCSA-N 841.011 5.874 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@H](O)[C@@H]1O 2356774482 ZAZMBIUDLHJPDU-FYLWYQOYSA-N 874.219 7.555 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C[C@H]([C@@H]3CNC(=O)C34CCCCC4)C1)O2 2356875287 ZOFSTRGRYPQTRZ-AJSXOXIFSA-N 934.052 5.202 50 1 KKGF C=C[C@]1(C)CCC=C(C[C@@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@H]1C(=C)C=O 14856102 IIBMSRRBRIHDMP-PNXLVOQQSA-N 527.573 6.849 50 1 KKGF biogenic c1ccc(CNCCCCCCOCCSSCCOCCCCCCNCc2ccccc2)cc1 28220503 JKJFOEDZZQYZTF-UHFFFAOYSA-N 532.860 7.101 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C2=CC=C(C=O)[C@](C)(/C=C/C=C(C)/C=C/C3=C(C)CCCC3(C)C)C2)C(C)(C)CCC1 42806400 JHCJKXALYCOPEL-WKAAHKPQSA-N 550.871 11.619 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@]3(C)CC[C@@]3(C)CCC(C)(C)C[C@]23OO)C1(C)C 95909180 IFOAOMXLDNSULJ-KBHLPNPNSA-N 514.747 7.531 50 1 KKGF biogenic,in-vitro COC(=O)[C@@H]1CCCN1C(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 103231907 WQGKVSPROSNKTG-GSIUQEJBSA-N 602.816 6.370 50 1 KKGF Cc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1C 169331691 FVBHNMGPYCBKQU-UHFFFAOYSA-N 558.946 6.864 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@@H]3CC[C@]12C 256967097 SPJCRMJCFSJKDE-GEPFWQOZSA-N 644.812 10.466 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586984406 LLKRUIJUFHHSFJ-VWLOTQADSA-N 501.380 6.177 50 1 KKGF CCCOc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br 587057888 XMMPWVWBCJJWPP-LICLKQGHSA-N 544.280 7.893 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Br)c2)[C@H]1c1ccc(F)cc1 587323803 UKTKUFRVJLDAFZ-UNMCSNQZSA-N 506.165 5.943 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(NC(=O)c3sc4ccccc4c3Cl)c1C)CC2=O 587493214 CHNIXKCJKQZCQX-NDEPHWFRSA-N 557.499 7.115 50 1 KKGF CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587537994 MFALHJQCAGHFKF-ZCPGDWHISA-N 518.404 5.135 50 1 KKGF O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538282 OQBPAPPRFFRSBL-NAKRPHOHSA-N 609.816 6.193 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(I)c1 587571958 SPGVSZPBBYSONU-NQIIRXRSSA-N 537.147 5.249 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc(Cl)c(F)cc12 587631073 WPRVLKVVFZPHDB-PPBXYGONSA-N 650.546 6.870 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587672279 ZHGOTQSIJIXBSP-XXAQJILISA-N 527.272 6.101 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1 587684729 ZYJZGYGWVBLJJM-DHTHFVMWSA-N 630.577 7.381 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587688349 LQYNVAJUMCHTKA-WVDZOPJMSA-N 571.922 5.810 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 587714396 PVFLJPHCFYKWGT-JCQPUDPBSA-N 529.803 7.031 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@@H](Br)[C@H](Br)c2ccc(F)cc2)N1 587734083 MXHHBNWEIMOAPS-BMWNLYDISA-N 618.129 7.544 50 1 KKGF CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(c4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)CC[C@]3(C)CC[C@]21C 587947869 DERBPAAVWHUNCO-ZZDQGICISA-N 768.930 11.229 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)c1ccccc1C[C@@]1(C2CCC2)C(=O)NC(=O)N31 962661166 HPWBKZVQAJCERS-WUPQGYKPSA-N 731.978 8.352 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCCl)(c1ccccc1Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682040 UJHJDFPUMYUJNS-MUUNZHRXSA-N 566.447 7.727 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CBr)c3ccc(-c4ccccc4)cc3)c(O)c2C(=O)O1 962974892 UDBSJYTWRMYETD-JUXXHLDUSA-N 660.948 6.604 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)Nc3ccc4[nH]c5ccccc5c(=O)c4c3)Cc3ccccc32)c(C)n1[C@@H]1CCS(=O)(=O)C1 963034245 YTHFUCGFJJTJJW-KTEOJXSCSA-N 629.182 5.095 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963363006 BEHKZPRDHSNVEN-HJIQQCSTSA-N 654.766 5.602 50 1 KKGF CC(C)c1ccc([C@@]2([C@@H](C)Cl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C(C)C)c1 963579884 JRJRCQZQPNJUKQ-JXNPFXPLSA-N 622.131 8.476 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C)c(Cl)c1)([C@@H](C)Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809541 XNEBWPUCSFNDLA-VPTFNQTCSA-N 595.921 6.442 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOC(=O)CCCC[C@@H]4CCSS4)c4ccccc34)[C@H]21 1857636670 NVFGTRLNVBVSMG-PBBNMVCDSA-N 549.762 6.436 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 1911586236 GIOGDHAXBFQUHU-NBVRZTHBSA-N 582.019 5.004 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC4CCCC4)C3)c2O)C12CCCC2 2356359073 CQAHCWKCVKJHEY-PBVXJKIJSA-N 963.361 10.229 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@H](O)C5 2356366551 LLNVVCIRRRFTJA-NKBXBDEHSA-N 912.265 6.358 50 1 KKGF CC(=O)O[C@@H]1CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3C[C@H]3OO[C@@]2(O3)C1(C)C 2356546171 BVVLDPHSPCYJTD-WAOWHVJOSA-N 516.763 7.814 50 1 KKGF CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 2356655651 JVJVFLRXLPZVAS-DSBKDDJOSA-N 968.251 9.403 50 1 KKGF C[C@@H]1CC[C@H](O)[C@]23[C@H]4[C@]5(C[C@@](C)(C#CC[C@@]6(CCCC[C@@H]6CSSC[C@H](Cc6ccccc6)C1)C(=O)O5)[C@]2(O)CCC1=CC(=O)OC1)NN[C@H]1CCC[C@H]1[C@@]4(C)CC[C@H]3O 2356659787 SCKUCGAPUDDBOI-CCBWZBKCSA-N 861.224 7.675 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356768188 NEWUWPKROOQGSB-JLAJKTBISA-N 787.095 5.946 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C4C[C@H](CCc5ccc(OC)cc5)[C@@H](CN[C@H]5CC[C@H](C)CCC[C@H](O)[C@@](O1)([C@H]4SSC5)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@H]4[C@@]3(O)[C@@H]1O)O2 2356777815 DRHRVTYFLUUQGF-PWYHGJEUSA-N 978.236 5.803 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1C1=CCN=C1 2356868530 XCXIXWSQIWZQKB-GKIMZJHNSA-N 882.046 5.977 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1C1=CCN=C1 2356872900 ZBVUOAQFYWBGPG-KOWCADSHSA-N 873.083 5.517 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@H]2O[C@@]24C(=O)O[C@H]1[C@H]3C1CCC4CC1 2356874749 YYTKEJQKPHGKHN-KGKHWMNMSA-N 851.064 6.226 50 1 KKGF COP1(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(CBr)cc2)C(=O)N(Cc2ccc(CBr)cc2)[C@@H]1Cc1ccccc1 26576143 PLPSRTKOASXIOP-LQJZCPKCSA-N 710.447 8.976 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCC3CC3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145574 OELALEVVTMRZNB-LWPVYFRESA-N 545.764 7.159 50 1 KKGF CCO[P@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)CCCC[C@@H]1SC[C@H]2C(O)=NC(=O)[C@@H]12 44305301 AEPDAJFVQYCZAC-UGWYKKOUSA-N 605.754 6.114 50 1 KKGF CCCOc1c(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)sc(C(=O)N/N=C/c2ccc(-c3ccccc3)cc2)c1OCCC 49709089 KSHSWKQABDDFDZ-YXTVXKGXSA-N 644.797 8.188 50 1 KKGF C/C1=C(\CCOC(=O)[C@@H](N)C(C)C)SS/C(CCOC(=O)[C@@H](N)C(C)C)=C(/C)N(C=O)CCCCCCCCCCCCN1C=O 84670727 PUEGQPIRIJKOTE-BSQGIMMYSA-N 685.010 6.495 50 1 KKGF C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)C3=C(C=O)CCC[C@H]3C[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 85544653 LAAZINDHBVPJPR-GIFNHWMHSA-N 556.784 5.377 50 1 KKGF biogenic,in-vitro CO[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/C#N)O2)C(C)(C)[C@H]1OP(=O)(O)O 96243197 YGZQQXOPNYIONQ-DGFUBRIRSA-N 706.814 5.159 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)[C@H](C)CCSS5)c1O 150342871 UVHFBXQSUIADPK-DZOMXJRQSA-N 795.029 7.934 50 1 KKGF biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)nn2)cc1 150626401 KSHICQRZJNPTFV-UHFFFAOYSA-N 839.790 7.479 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 169356046 VOCYDUBRMCGVMY-LESVELMZSA-N 627.748 10.627 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4cccs4)cc3F)ccnc2cc1OCCCN1CCOCC1 221029108 APUQOERXRBJYOF-FMFFXOCNSA-N 578.666 5.030 50 1 KKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)/C=C/C=C(C)/C=C/C=C(\C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255222897 KMCAYUSNEOYNIP-FOXHMZOLSA-N 731.027 9.136 50 1 KKGF N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc(SCc2cccc3ccccc23)s1 299818746 AGPIWBXRJSWJAB-KOEQRZSOSA-N 557.704 7.532 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@H]4[C@@H](CC[C@@H]4[C@@](C)(O)c4ccncc4Cl)[C@@H]3CC[C@@H]2C1 299847759 DEPMEDSXCRDCRX-BDEDAWRCSA-N 532.285 8.602 50 1 KKGF O=C(N/N=C/c1cc(Cl)ccc1O)c1ccc2c3c(ccc2c1)N1Cc2c(ccc4cc(C(=O)N/N=C/c5cc(Cl)ccc5O)ccc24)N(C3)C1 299857146 CQQQFAVMJCZVQO-HRPTZAEHSA-N 715.597 7.537 50 1 KKGF CC[C@H](C)[C@H](NC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 587204797 LNPZUMGBDMHCDD-PGXXRXHMSA-N 657.662 6.242 50 1 KKGF Nc1c(Cl)cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587323198 PYCCBSLFPGWUQN-SIKLNZKXSA-N 511.174 6.070 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Cl)ccc(Br)c2F)[C@@H]1c1ccc(F)cc1 587335332 QMVBGZSIZQWDFR-XMSQKQJNSA-N 558.600 6.736 50 1 KKGF COc1cc2c3c(c1)O[C@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)[C@@H](C2)C3=O 587423450 JTZNXPGSRVKFJH-NIVTXAMTSA-N 524.995 5.900 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587543092 ISNLHIQHNLTYMZ-VYKTZEHYSA-N 509.986 5.673 50 1 KKGF COc1ccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)cc1 618017074 AZKWQNONHUFXRP-VQTJNVASSA-N 586.607 5.013 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@]32c3cccc(F)c3CCN2[C@@H]2CCSC2)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 962696384 DVQOTMWLRRIRMU-ZCILEMIISA-N 709.921 5.668 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(c1cccs1)C(Br)Br 963200325 DEVVYSZJFHIJBA-KNQAVFIVSA-N 502.275 6.231 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CSC#N)(c2ccc(S(C)(=O)=O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963363009 BEHKZPRDHSNVEN-SHUZPENHSA-N 654.766 5.602 50 1 KKGF [C-]#[N+]/C(=C\C1CC1)C(=O)N1CCC(n2nc(-c3ccc(Oc4ccc(Cl)c(Cl)c4)c(OC)c3)c3c(N)ncnc32)CC1 1772576044 IQJSDFFWYXACPO-QRVIBDJDSA-N 604.498 6.560 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccc(C#N)cc3)CC2)nc2ccsc12 1772642193 YMVYYIAONWMWNZ-ONEGZZNKSA-N 520.662 6.585 50 1 KKGF C=C(C=O)CCC[C@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C 1857626457 HDTJUAYSKZYAMY-YTGHKEDWSA-N 702.926 5.285 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)COC(C)=O)[C@@H]1C/C=C1/C(=O)OC[C@H]1O[Si](C)(C)C(C)(C)C 1857643950 WDSMKUOYFZJIPU-DQVLGKLOSA-N 504.740 5.771 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4cccc(F)c4)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4cccc(F)c4)cc23)cc1 1857759119 BPFKYTTYZOXZTI-UHFFFAOYSA-N 758.880 7.679 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCCC[C@H]2CNC)Cc2cccc(c2)C1 2356370081 WRWMHNULNAFUPG-KOHAZEMTSA-N 968.374 6.889 50 1 KKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356374930 KMCAYUSNEOYNIP-LNRZAZRQSA-N 731.027 9.136 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356486520 VZDZTJNMGHFQEZ-DAEKQUIBSA-N 727.124 12.435 50 1 KKGF C[C@@H]1CO[C@@]2(O[C@@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5CC[C@]4(C)[C@@H]3[C@H]2C)[C@H](C(Cl)Cl)C1 2356486951 JXWFIBCMYNNVHU-NEZMDDGOSA-N 513.546 5.715 50 1 KKGF CO[C@H]1C[C@@](C)([C@@H](C)[C@H]2O[C@@H]([C@H](C)C(=O)OO)C[C@@H](O)[C@@]2(C)O[C@H]2CC[C@@H](OC)[C@H](C)O2)O[C@@]2(CC[C@](C)([C@@H]3CC[C@](C)([C@@H]4CC[C@H]([C@@H]5O[C@](C)(O)[C@H](C)[C@H](OC)[C@H]5C)O4)O3)O2)[C@H]1C 2356545337 IQVROGAJHRXENX-CIFFMWGHSA-N 915.168 6.084 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356604195 RGIGOAOBPRHHLD-MIJRZWACSA-N 964.341 7.508 50 1 KKGF C=C(C)CCOC[C@@H]1O[C@H](n2cnc3c(N[Si](C)(C)C)ncnc32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 2356653304 AOXPNTGIUBBQAS-WTMJVXIESA-N 551.913 5.394 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356812794 BMJNZCSOBWBYAE-UMPSCMAPSA-N 943.110 5.061 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CCC[C@@H](C[C@]45CCC4(CCCC4)C5)[C@H]3O)C=C12 2356827157 HNUXUZCLMORFBB-IJVXMDNKSA-N 938.354 9.066 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356848736 PIECKVOCJYUMMC-OOQLTWNUSA-N 875.167 5.795 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@H](CCO)C#C[C@@H]3C=C12 2356862495 VBOFCWQDDZFLGN-FZVDLYMYSA-N 820.131 5.307 50 1 KKGF CC(C)c1cccc(C(C)C)c1NC(=O)NC[C@@H](NC(=O)CCCCCBr)c1ccccc1 13737158 ZYVJCSPFWCUGPR-XMMPIXPASA-N 516.524 6.868 50 1 KKGF O=C1N(Cc2ccccc2)[C@H]([C@@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1ccccc1 14943315 HZQKKLCDSRMIMN-BVEPWEIPSA-N 569.543 6.471 50 1 KKGF CCCCCCCCCCCCCC[C@@H](Br)C(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 38152466 ACGDWZIDYDEKBV-UHSQPCAPSA-N 637.059 8.769 50 1 KKGF COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@@]2(C)CCC(C(C)C)=C[C@H]2O3)c2ncccc2c1 44221322 XYSFCYPNEHCKJE-MKPJJZPSSA-N 523.718 6.534 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 85594607 XOIQKFSSUYRPGY-ITEBJWMLSA-N 703.883 5.289 50 1 KKGF biogenic,in-vitro CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OC2CCCCC2)C1 85596902 OOMSMBZLGLKHGA-HFAJCXMSSA-N 865.216 8.998 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H]1N[C@H](CCC3(O)CCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 150347644 AMLQXPCJWJTBPJ-LCSRCSKSSA-N 983.303 9.296 50 1 KKGF biogenic,in-vitro N#CC1=C(NC(=O)c2ccc([N+](=O)[O-])cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 150559121 OPYKLRKGNIZVTJ-SANMLTNESA-N 638.489 5.325 50 1 KKGF COc1cc2c(cc1OC)CN(CCCCCC[C@H](Sc1ccc(C)cc1)c1ccc(OC)c(O[Si](C)(C)C(C)(C)C)c1)CC2 195121914 HLNIOOJDJBUTJS-QNGWXLTQSA-N 650.014 10.247 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1ccc(OC2CCCC2)cc1)=N/O)/C(Cc1ccc(OC2CCCC2)cc1)=N\O 299866483 VWVGDEPXZUWUIV-CRHVBUSDSA-N 642.844 5.389 50 1 KKGF C=C(CCl)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](C[C@@H](OC(C)=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 473165290 BABJALXGOXMPGE-LLYZNETQSA-N 517.194 7.994 50 1 KKGF O=[N+]([O-])c1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Sc1nc2ccccc2s1 587039365 XFQBKLPSQWVICK-UHFFFAOYSA-N 530.525 8.556 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)[C@@H]1c1ccc(F)cc1 587319255 AWVAZFCYQQJCLG-QLWXXVCSSA-N 600.440 7.013 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@H](Br)C[C@@H](NC(=O)OC(C)(C)C)C3)c1 587358107 OVSQOINIDIAARI-OXJNMPFZSA-N 523.427 6.932 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3ccccn3)s2)[C@@H]1c1ccc(F)cc1 587378510 VYCPHVQSLKHKSO-ILBGXUMGSA-N 510.384 6.304 50 1 KKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587502619 AONFDGKSUKZYMX-AREMUKBSSA-N 522.394 7.745 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 587672248 FGXUFMOQVYSPNK-WVDJIFEKSA-N 549.065 6.723 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 587672702 HEIDFJSGSUFRIT-ZAMGYDSWSA-N 558.116 7.616 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587737543 FYOAJBYDPMOEQR-VTIPXMBISA-N 739.094 6.409 50 1 KKGF COc1ccc(C(OC[C@@H]2O[C@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 587941917 YYXQFKOPUJXIJF-GQNZDDNNSA-N 847.329 6.913 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=C[C@]6(CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1)NCC1(CCOCC1)c1cc(C(F)(F)F)ccc16 962950987 FKSSXJOCDHCBIB-XBJGJKFFSA-N 696.222 6.886 50 1 KKGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc(Cl)cc2)N1 962969262 QASPBKCCYWREJF-VNZMSGEBSA-N 525.766 5.360 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1cccc(Br)c1)([C@H](Cl)C(=O)c1cccc(Br)c1)N(C(=O)c1ccccc1N)CC2 963140068 MIYOPRAMUHFING-BHYZAODMSA-N 698.839 7.243 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2)N1 963180230 PTQMLMMFUAQMGP-CRAIPNDOSA-N 514.672 5.198 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@]2(C(C=O)=COc3ccccc32)N1C(=O)OCC1c2ccccc2-c2ccccc21 963376711 ADJFEMXMKCZMCF-MFACQUFMSA-N 573.601 5.460 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCCCCl)(c2ccc([N+](=O)[O-])cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963380641 LTOVPJQWUABWFK-MSEJLTFDSA-N 641.120 7.302 50 1 KKGF CCC(=O)OC[C@@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963841202 JKPPBUNMOPCCPZ-RYFOCROGSA-N 800.361 6.918 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3ccc(S(=O)(=O)N4CCCCC4)cc3)nc(Cl)nc21 963927841 GMUORKCYMDRWHD-LJAQVGFWSA-N 660.038 5.642 50 1 KKGF COc1ccccc1NC(=O)c1c(NCCBr)cccc1Sc1ccc([N+](=O)[O-])cc1 1772626307 DKAUKVNWGYUJBM-UHFFFAOYSA-N 502.390 5.814 50 1 KKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccc(Cl)cc12 1857599341 DFPUUKMNKGZNKM-XIFFEERXSA-N 573.992 5.738 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSS[C@H]3C=Cc4c(ccnc4N3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356291745 DDTKQMAZUZNVSN-FQEVCORHSA-N 763.982 8.157 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@@H]1C)N43 2356291792 AKWNLQFCYZEMGU-LFTXNFTHSA-N 603.847 5.542 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1c(Cl)c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c(CCCCC[C@H](Cl)CCCCCC)c(O)c1[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 2356323398 BRMPFHRPTFWBOB-XEDLZVGHSA-N 870.433 8.938 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@@]54C)[C@@]21O 2356554958 CWXNADRPYONZMS-NBWAAAIASA-N 869.291 9.677 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356729993 ZBCVXGURYIBQHX-NRTDZFINSA-N 893.313 10.262 50 1 KKGF CC[C@@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@@H](CSSC1)C[C@@H]1[C@@H]2CCC[C@@]12C=CC[C@H](C)C2 2356765435 RDWQUOBQAYQCPL-JRFCXUPSSA-N 574.940 10.294 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]56CSS[C@@H]([C@H](O)CC#C[C@@H]5[C@H](O)[C@](O)(CO)C[C@]36C)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356767579 DUIDKQICBJPFJC-JBDODWMOSA-N 974.292 5.108 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356777931 HTNIGBCMNWCNGU-HTRPGNCOSA-N 725.027 6.099 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356812172 BSKKPMBRSLZZLZ-KWHYOARWSA-N 940.062 5.271 50 1 KKGF CN(C)c1ccc(P(CCP(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1 43260082 FMQLLBIUGGIKSN-UHFFFAOYSA-N 570.702 5.516 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)C5(CCCCC5)SSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 150343770 NGRNBHPIYIRGPO-VLOSAFQWSA-N 922.310 11.352 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(CO)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169366441 PIHGTXTYUJXWMZ-LNVTWJBQSA-N 606.797 5.876 50 1 KKGF CC1(C)CC[C@]2(C(=O)Cl)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)Cc6c([nH]c7ccccc67)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 299832947 USTJSKVSDKECFJ-FDWPCWODSA-N 546.239 9.749 50 1 KKGF CCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 299847261 LFYVETSPEPPKAU-BBTJGSQHSA-N 661.877 6.794 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)sc2c1 299868048 ZHCLNHIDDUBEEP-VVEOGCPPSA-N 551.503 6.823 50 1 KKGF CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586921260 QIVIARRKYAJACR-WJOKGBTCSA-N 800.581 10.697 50 1 KKGF O=C1C[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587148187 GJEVPCPOTDDIDP-JTQLQIEISA-N 532.279 6.777 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)c1ccc(F)cc1 587333456 KNSPRGUYGAQOPV-GWJWITRGSA-N 522.979 6.284 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587424373 NSQSKRRBBOOYRX-WOQCJPMASA-N 627.149 5.729 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587500845 YMDYRTXXXUDHHE-DGPALRBDSA-N 509.528 8.039 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539522 WTSUGPWMRWFNBN-LSYYVWMOSA-N 564.819 6.284 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 587689698 UZHFABVKKPYNGD-MYODQAERSA-N 530.696 7.319 50 1 KKGF Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587856590 IVFOYAKUEZIOHP-OQRWROFFSA-N 561.948 6.840 50 1 KKGF CC(C)(C)c1cc(C(=O)Nc2nc(CNC(=O)OCC[C@@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)cs2)n(Cc2ccccc2)n1 621432762 RUOFUVNXURYIFQ-QHLFZFQNSA-N 832.037 6.290 50 1 KKGF COc1cc(/C=C(\C#N)[C@]2(C(C)(C)C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)c([N+](=O)[O-])cc1OC 962566713 ITAIPVBWRSQSFR-HCZXDBNWSA-N 509.603 5.354 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 962924892 XJOBTDJSTLLWAV-JTHBVZDNSA-N 540.307 5.580 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)NCCc1ccc(C(=O)N(C)C)cc13 962927877 FDSJTBKEGKJGCZ-DJQSUWFSSA-N 653.235 5.875 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@@H]21 1772642082 QHBSWCYUKBMVAD-PGUFJCEWSA-N 647.647 7.028 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)NCCCC)[C@@H]12 2356339518 ONVBEKYLAHOXOC-OTIAMLHOSA-N 537.785 6.955 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@H]2[C@@H]1CCN(CCCOC)[C@@H]2CC)C4 2356351955 IZFSPIUPIXDUSY-SFPXCLQKSA-N 895.059 5.259 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC 2356357997 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C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@]8(C)O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@H]2O1 2356800433 QBKXNFFVHDOYEC-BUNRWANYSA-N 881.113 6.341 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNC7=CC(=CCN7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356819665 FDUMTQXSFXQREJ-YOALKBIPSA-N 760.079 8.064 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1C=C[C@H]4[C@@H](O)C1 2356841198 NFOOZTFTQSUWPZ-DOSHQRDHSA-N 861.015 5.695 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](O)SSCNC7=CC(=CCN7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356849916 PNJVWOJMWBMLLT-PADJQJGGSA-N 717.010 8.476 50 1 KKGF C=C(c1cccc(Oc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)c1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 42851861 NQUDDQHPNPZEJF-ZQGHSKDGSA-N 638.801 8.504 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCC(=O)Nc3ccc4c(c3)[C@H]3CN(C(=O)C5CCCCC5)CC(=O)N3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 82155175 VXUUYTPAQFMECS-WIXGEQHDSA-N 693.838 5.005 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SS[C@@H](O)[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344142 REQNWSXGCMVWRL-MQGQBDOZSA-N 848.100 9.036 50 1 KKGF biogenic,in-vitro O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 150608941 FSSMHHIZSUYNCB-WMPKNSHKSA-N 867.706 10.382 50 1 KKGF C=C(C[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169358345 KOUAFSJVPQQUPD-MKGXFIKYSA-N 588.782 6.824 50 1 KKGF Cc1ccc(C(=O)COC(=O)c2ccc(-n3c(O)c4c(c3O)C[C@@H](Br)[C@H](Br)C4)cc2)cc1C 169718854 AFXZXHOLZDKWJA-NHCUHLMSSA-N 577.269 5.171 50 1 KKGF C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(S(F)(F)(F)(F)F)cc(Br)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C 586914620 WWPZARMLFOINJZ-JSVSAKCHSA-N 773.700 7.888 50 1 KKGF O=C(O)CN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Cc1cc2c(c(O)c1O)C(=O)c1ccccc1C2=O 587196798 XBFZLXORTOFFMW-UHFFFAOYSA-N 583.491 5.494 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320093 DTPMNYPGCDOSNQ-NFBKMPQASA-N 526.185 6.496 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587332653 SXUFTOOHNRHBHS-UNMCSNQZSA-N 529.711 6.853 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@]23N[C@H](C)Cc2ccc(F)c(Br)c23)c1 587685255 OYQPJDOANMLOCJ-LOKFHWFJSA-N 592.292 6.144 50 1 KKGF CCn1c(-c2ccccc2)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587685289 PIAOKTJXMNVDNO-XGCWNURASA-N 511.866 7.246 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2[C@@]2(CCC3)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962924895 IEEONPUHWKHYQV-GPUOHUOPSA-N 601.659 6.433 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955749 LVIANGUCWCWFST-GMCHKSTQSA-N 574.046 7.163 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@](CBr)(c2cccc(C(F)(F)F)c2[N+](=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 963187768 MBUJMPYREWKLKR-QCDSWUKFSA-N 671.422 7.106 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(C(C)C)cc1 963198959 OIOYDWNNQYAQMZ-RKGUSQQBSA-N 649.187 8.553 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(c2cn(C)c3ccccc23)N1C(C)=O 963319410 YVIRAPSHZAKCEL-MSQJTAOTSA-N 761.253 5.464 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCCCC(=O)OCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857553588 QUFNDHAQZWGCEB-FOOIBMOKSA-N 698.188 7.521 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCOCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857580171 LPIJDNJBCCQXST-POPHXYGWSA-N 642.168 7.687 50 1 KKGF Cc1ccc([C@H]2C(C#N)=C(NC(=O)C(F)(F)F)OC(c3ccccn3)=C2[S@](=O)c2ccc(C)cc2)cc1 1857640630 OFWJLUQLWCADAZ-YUXVDHEWSA-N 523.536 5.403 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@](O)(CO)C[C@@]35C 2356351458 XXDIHKOAZOQJKK-QQQSETEWSA-N 938.259 5.106 50 1 KKGF C[C@@]12CCSSC3(CCC4(CCCC4)CC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356357240 RDUGIGDGYPQHKY-HVPVRELLSA-N 629.977 6.754 50 1 KKGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 2356384368 HFVNWDWLWUCIHC-WSPBAEPHSA-N 646.652 5.415 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356457719 ADGOKAYXJMQJPT-QSOXEHBJSA-N 761.101 6.810 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356595847 VMQGYWJVXZENSM-CPKKVPEQSA-N 948.298 6.872 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](O)[C@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1O 2356686660 OAOGUBBGJGDGQT-SFGKGQALSA-N 900.422 11.422 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C2CCCCC2)Cc2cccc(c2)C1 2356686822 ULMKSLODOSVGDG-KIPOWGTCSA-N 783.107 6.444 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5cccnc5)CC[C@@]43C)[C@H]1CCC2=NNC(=O)c1cccnc1 2356736954 DKNFYEFBCLXZNI-MJJKXEMDSA-N 512.654 5.751 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1CCCO)[C@H](O)CC(=O)CC2 2356768222 KZSLMFKMPSMDJZ-RQVLXEGUSA-N 582.784 6.632 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]5O 2356773356 XUPVQRVRJUAAFD-BHGQPDPYSA-N 924.276 6.706 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356820713 FNQPXWMQYRZHBX-IMQIWVHYSA-N 800.140 9.298 50 1 KKGF O=C[C@]12OCSSC[C@H](c3cc[nH]c3)[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)c(-c4ccc(O)cc4)coc3c1)O[C@H](C(=O)O)[C@@H]2O 2356828531 IHUWGYMZEOWRBA-NCIVDWRDSA-N 893.049 6.520 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H]([C@@]23CCC[C@H]2C=Cc2cncn23)SSC1 2356832016 HZAJISKWEQDHJM-QKPJLFDWSA-N 672.917 6.877 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356835208 KPLZWJFGPDIUIZ-ZEACJORYSA-N 943.334 8.089 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc(F)ccc2[nH]1 3990480 WNOCWZGZYPOORN-GOSISDBHSA-N 552.993 6.882 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 27768294 IREWFSHSPSQGJH-VWYPKUQYSA-N 590.746 5.445 50 1 KKGF CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CI 44052977 PQFPUMUNFLHBGN-IMHHWWNFSA-N 569.568 7.461 50 1 KKGF C=CCCCC[C@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC 44307378 VOGBKCAANIAXCI-IZBQCXFTSA-N 626.963 10.319 50 1 KKGF biogenic COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)[C@H](O)[C@H](Br)c1cccc(c1)O2 49709878 JMCYYYSADNUJHJ-IHLOFXLRSA-N 547.445 7.557 50 1 KKGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 72138042 SCTZBCCYBVITLE-WESAGZJESA-N 707.739 7.879 50 1 KKGF NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)CC2CCCCC2)[C@H](Cc2ccccc2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 85505542 MNYWYBWYNWXDNL-NFZKDPJVSA-N 637.996 9.103 50 1 KKGF biogenic,in-vitro CO[C@@H]1C[C@@H](C[C@H]2CC[C@H](C)[C@H]([C@@H](C)CCl)O2)O[C@]2(O[C@](C)([C@H]3CC[C@@](C)([C@@H]4O[C@@H]([C@H]5O[C@@](O)(CCl)[C@H](C)C[C@@H]5C)C[C@@H]4C)O3)C[C@H]2C)[C@@H]1C 95543667 VRWZQXWRFYMNIL-FEESFDKNSA-N 747.882 8.106 50 1 KKGF C/C(=N/NC(=O)COc1c(Br)cc(Br)c2cccnc12)c1ccc(Br)cc1 96910073 GIAJSFLFXZPUTB-MYKKPKGFSA-N 556.052 5.442 50 1 KKGF Cc1c(-c2ccc(OC(F)(F)[C@H](F)Br)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C 103206904 CPEGPXDREMNXQN-NRFANRHFSA-N 560.798 7.641 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)Nc2cc(-c3ccc(Cl)cc3)nn2C(N)=C1C#N 103950446 RXMOEJQNHBSCMI-KRWDZBQOSA-N 525.802 5.440 50 1 KKGF COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCCCCCCC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 150536860 DJMHXQYFMULFOU-HBPWSKIPSA-N 908.099 5.809 50 1 KKGF Cc1cn([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171144 XJGABQAQKYATOA-TWJOJJKGSA-N 618.920 5.762 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NC(c2ccccc2)c2ccccc2)c2ncccc2c1 205199585 BXYBETBYCOFZKD-OAQYLSRUSA-N 526.641 5.127 50 1 KKGF CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 253689592 QLCCWSNDASPFBV-YUSZMVPASA-N 966.013 6.143 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4ccc(OCc5ccccc5Cl)cc4O)sc3c2)CC1 299830748 OBIOBQRQVKUCRP-WCMJOSRZSA-N 564.111 6.622 50 1 KKGF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586984416 LYUJQDOQAFVOHF-HNNXBMFYSA-N 563.184 7.165 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587102108 QJINTCPSQXZHBD-LJAQVGFWSA-N 501.413 6.377 50 1 KKGF CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587227318 WXQAELCSCABFQO-AREMUKBSSA-N 579.635 9.626 50 1 KKGF CC(C)(C)OC(=O)NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC(=O)CC1 587234536 ONSMAXFYAYJEAJ-UHFFFAOYSA-N 534.345 6.846 50 1 KKGF N[C@@H](CCC(=O)Nc1ccc2ccccc2c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587258641 PXPFFCOEGZAANP-KRWDZBQOSA-N 549.363 7.555 50 1 KKGF C[C@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)C1 587319786 OECBUSNQJLZWBU-AELUBTKVSA-N 820.357 5.501 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Cl)c(C(F)(F)F)c1 587549059 PNFYLCBLBNAGOE-NQIIRXRSSA-N 513.693 6.316 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 587674430 WPDVJVDKLWBUAU-SFNLVJQVSA-N 524.110 5.914 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)c2ccc(F)cc2)N1 587729460 GZLYNNZCNGXZFO-YQQIJLMBSA-N 508.765 6.135 50 1 KKGF CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NNS(=O)(=O)c1ccc(C)cc1 653726457 MVDCUGBHRXLZEV-ASKGCPBJSA-N 684.940 5.900 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1ccc(Br)c(C(F)(F)F)c1 962400125 SMTVXIOCDQJZFN-FQEVSTJZSA-N 548.266 6.565 50 1 KKGF COc1cc2c(cc1OC)[C@]1(C3=C(NC(C)=C(C#N)[C@H]3c3ccc(Cl)cc3)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683527 YSTGEVXKPDFLRZ-PZSMLTKBSA-N 668.115 8.227 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@]1(C(=NNC(=O)COc3ccccc3Cl)C(=O)c3ccccc31)N2C(=O)OC(C)(C)C 962706530 JKJFVJHUXZETOW-KKLWWLSJSA-N 648.087 5.121 50 1 KKGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]2(CBr)c1cnc(Cl)c(Cl)c1 962950261 CRKIWMAFRAZYKJ-LJQANCHMSA-N 510.181 5.697 50 1 KKGF FC(F)(F)c1cnc([C@@]2(CBr)c3ccsc3CCN2Cc2cccnc2)c(Cl)c1 962996226 HMAQPFODDZFEIN-LJQANCHMSA-N 502.787 5.907 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]31CCCC2=C1[C@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 963055684 KTXGZGHSFWLVRA-QDPGVEIFSA-N 519.432 5.837 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2ccccc2OCC(F)F)N1C(C)=O 963316834 NCIZYQFXNVNROF-ABCZBHHISA-N 832.673 5.772 50 1 KKGF O=C(CSSCC(=O)NCCCCCC(=O)Nc1nc(-c2ccccc2)cs1)NCCCCCC(=O)Nc1nc(-c2ccccc2)cs1 1772571430 URTLUQRCNIEBGV-UHFFFAOYSA-N 725.000 7.245 50 1 KKGF CCCCC[C@@H](C[C@H](CCc1cc(OC)c(O)c2c1CSSCNc1cc(ccn1)C2)OC(C)=O)OC(C)=O 2356293722 PHDUFYZRSJDTLI-ZEQRLZLVSA-N 576.781 6.417 50 1 KKGF CCC[C@@H]1[C@H]2C=C[C@@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356317736 OQKBXJAYKUBWLJ-JUPICYEISA-N 870.150 8.733 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@@]34CC[C@H]5C[C@H]6[C@@H]7C(O)=C[C@H](OC)[C@]7(O)[C@@]5(CC=C[C@@H]3[C@H]1C2)[C@]64C 2356353069 HNPBVJXCUIDARE-UIZUDRSTSA-N 623.925 6.800 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2[C@H](CCCO)SS[C@H]5O)C1=O 2356482679 RLIWUVLXIGHWPH-SZHCNWMISA-N 898.238 6.458 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@@]3(C)CC[C@]2(C)CC1 2356540561 BZWGMCWZXRKRBF-VMRLCTTNSA-N 578.878 9.692 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)CN1C(=O)[C@]23[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]23C[C@H](O)[C@H](O)C[C@]2(C)[C@H]2C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@@](O)(C2=CC3=O)[C@@]45CCc2cc(O)cc1c2 2356608043 ASEWKJIOKJOKEW-CAUNLPFPSA-N 991.367 6.317 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356673386 LUXKQPPRLHECLW-WYYXNNMUSA-N 854.237 6.166 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@H](C[C@H]1CC2(CC(=O)O1)SCCCS2)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356700906 LIZAXEADJBBAQL-DJBVYZKNSA-N 893.558 16.536 50 1 KKGF CNCCOc1cc2c(cc1O)CSSC[C@@H]1Cc3cc(O)cc(OCO)c3-c3ccc4c(c31)O[C@H]2[C@@H]4COC(C)=O 2356775579 OLZORRZWXFXYAW-IAFMXWEJSA-N 611.738 5.007 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@@H]2CCCO)CCCC1 2356804260 ABCKSWYIYPKBJQ-PUYWQEPPSA-N 764.067 6.892 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c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c1/c2ccc(Cl)cc2nc2n1CCC2 40395061 MOUMPLMHTHTRSN-DQQTXVFNSA-N 507.169 5.927 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3c([N+](=O)[O-])cccc43)cc2c1 49694714 CWJXZICDUNWYNT-INIZCTEOSA-N 537.960 5.061 50 1 KKGF O=C(c1ccccc1C(F)(F)F)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72179801 VDWMYGOXHPACGP-ULIFNZDWSA-N 595.334 7.905 50 1 KKGF CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](C[C@H](O)OC)C1 85596917 MNIJDGDIIYGAKD-GDDUCMLPSA-N 743.005 6.025 50 1 KKGF biogenic,in-vitro CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@@H]3CCl 95549406 HFBVJCULYWSBPU-BJKOFHAPSA-N 763.719 8.698 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@@H](Br)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@H]3CC[C@]1(C)O3)C2=O 103236178 UGEWFNIBLSXHJU-VCQHOALXSA-N 555.893 5.448 50 1 KKGF CCCCCCCC[C@@H](OS(=O)(=O)O)[C@H](Cl)CCCCCCCCCCCCOS(=O)(=O)O 169621801 IENDHJUGFNARNE-FGZHOGPDSA-N 537.181 6.643 50 1 KKGF C/C(=C\C[C@]12O[C@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 253633297 IQZRDEYKPNMTKJ-WAJFXOMOSA-N 501.151 8.588 50 1 KKGF CC(C)Sc1nc(Nc2cccc(Br)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 299867260 QAIYFDDOMJDDBC-LJQANCHMSA-N 502.869 6.813 50 1 KKGF CCCCS(=O)(=O)N[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C 586932475 FWOTYJUXQPNUCW-CYBMUJFWSA-N 514.380 6.399 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587321401 JVHLJBOKOOWGDE-IFMALSPDSA-N 506.165 5.943 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(Cl)cc1 587545538 RMCPMNNNSUUGFX-WNJJXGMVSA-N 522.428 6.803 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1CCc1ccc(F)cc1 587569690 IVSZWYMFAKPXNA-LITSAYRRSA-N 505.973 6.288 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc(F)ccc12 587634979 WYZAPFZMDCUVQD-GFLMAIGRSA-N 616.101 6.217 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 587671915 BKCWYKFAFMUKFX-PUAOIOHZSA-N 562.277 6.510 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 587682814 DRXVLXZUFYQJFN-YMXBGEKHSA-N 513.794 5.136 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 587843042 YAWMMDANBNBKEI-DJJJIMSYSA-N 593.371 5.647 50 1 KKGF CC[C@H](NC(=O)c1c(SSc2c(-c3ccccc3)nc3ccccc3c2C(=O)N[C@@H](CC)c2ccccc2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 653907585 JBBBVVLGUXWNBB-ZAQUEYBZSA-N 795.046 12.679 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1scc(Br)c1Br 961779653 USORFRVXSFHRHW-JOCHJYFZSA-N 621.233 7.063 50 1 KKGF COc1ccc2c(c1)CC[C@@H](Br)[C@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962411271 ZUUZKYXZSDQVDL-MUZHKWOHSA-N 625.519 6.304 50 1 KKGF CC(=O)NCCc1ccc([C@@]2([C@H](C)Cl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962705836 HARKKRCKSBHDHA-VXXQQGPSSA-N 715.241 6.353 50 1 KKGF COc1ccc([C@@]2([C@@H](C)Br)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1OC 963138879 KWGGCJBXXGJEAL-UULLZXFKSA-N 555.469 5.029 50 1 KKGF N#Cc1cnn2c(Nc3ccc(N(CCCl)CCCl)cc3)cc(CN3CCC(N4CCCCC4)CC3)nc12 1772608723 ZFEWHWGVOJUVHB-UHFFFAOYSA-N 555.558 5.079 50 1 KKGF C[C@@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857590492 VNDAEMSTSVCYNS-MRXNPFEDSA-N 539.482 8.483 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccn2C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857621990 ISKQMPRXCVXJIK-DEJOHWRDSA-N 576.517 5.186 50 1 KKGF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C/C(=N\NC(=O)Nc4cccc(C(F)(F)F)c4)[C@@]32C)O[C@]12CC[C@@H](C)CO2 1857759073 RHBNCVJJJVJHOA-PYQSQPLWSA-N 631.780 7.600 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)[C@@H](Cl)Br)CC[C@]54C)[C@H]2[C@H]1OC3 1857765736 FATQWRUPQYGRJO-SAFCPJOBSA-N 581.079 8.525 50 1 KKGF N=c1[nH]ccc2c1CSSC[C@H](CO)[C@H](O)[C@H](Oc1cc3c(cc1O)CCC1=C[C@@H]4C#C[C@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C[C@@H]13)C[C@H]2Cc1ccc[nH]1 2356291086 JVWBMVMUHWKKSG-SHYJLTPSSA-N 790.061 5.446 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@H](CCO)[C@@H]2C=C[C@@H]3[C@H](CC)N(CCCOC)CC[C@@H]3[C@@]21O)C4 2356354339 ZDTSGCBHISZYMX-CYAAGGJUSA-N 977.161 5.423 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](CO4)C3)CCCCC1)CC[C@@H](O)CC(=O)CC2 2356354867 BMTVKEOGDNRFTC-JSGIMYLNSA-N 815.115 6.299 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)CC[C@@]12O)C[C@@]3(C)O)CCC=C(C)C 2356362635 DHUQOBXHRXABQQ-XNTHVYSOSA-N 536.753 5.526 50 1 KKGF COc1cc2c(cc1O)CSSC[C@@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O 2356372661 JTQUYABNECDMEH-JMWMNHOVSA-N 552.670 6.097 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)[C@H]2CCC(C)C 2356403329 GFKYDFOGJWKTRC-ZBQCGYBESA-N 839.222 9.148 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H](CNC5CCCCC5)[C@H](CCC(C)C)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356480566 IWIQSYROYLFGFV-TWXJYTFOSA-N 850.194 7.694 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@H]2O[C@@]2(C)CC[C@@H](Cl)[C@@](C)(O)C[C@H]1O 2356644506 JLHAOQMKTFIUTM-AKHSLGKRSA-N 719.400 7.492 50 1 KKGF CCCCCCCC(=O)OCCC=C[C@H](Cl)[C@H](O)[C@@H]1OC(=O)C=CC=Cc2nc(oc2C)C=C(C)CC[C@@H]2O[C@@H]2[C@H]1OC(=O)NC(C)=O 2356692213 NUFYUEFOFGVVLM-MBKLWVKISA-N 691.218 5.888 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](OC(C)=O)c1cc(O)c([C@H](CCCC)CCCC[C@H](C)[C@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356714669 GTRRNAAYKNENPF-CMLNQVMCSA-N 705.373 10.882 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]([C@@H]2Cc3c4cc(c(OCNCCCc5ccccc5)c3O[C@H]2O)CC#Cc2c(ccc(O)c2OCO)CCC(=O)C[C@H](O)CC4)CNC(=N)N1 2356769723 LXVDUICLYYKLFA-MOLKGQEDSA-N 847.113 5.092 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@@H](O)CCCC1 2356817735 DMZFUBHAJJMCSD-FZVDLYMYSA-N 804.132 6.335 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(CC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@H]3CCC(=O)O)C(CC)=C1C=O 2356856351 RZXOAIALHZVNNI-OXQOHEQNSA-N 546.627 5.539 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc([N+](=O)[O-])ccc2[nH]1 3925542 UNRLIUTYXUNBNM-GOSISDBHSA-N 580.000 6.651 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(NC(=O)CCCC[C@H]3CCSS3)cc1)O2 27433235 CPURDDMQPRRMEV-RBISFHTESA-N 528.740 6.692 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 28635762 GTNWJJTZQLWLEN-RYGHWAIVSA-N 739.778 10.220 50 1 KKGF COc1ccc(-c2nc(S(=O)(=O)C(F)(F)C(Br)Br)[nH]c2-c2ccc(OC)cc2)cc1 43649883 MKMARRUSUWXPIS-UHFFFAOYSA-N 566.218 5.243 50 1 KKGF Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cc(F)ccc2n1 103203146 ACRKWQYZGFUJME-YTJKISDPSA-N 561.654 6.715 50 1 KKGF CCCCn1cc(C(C)(C)C)s/c1=N\C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)c1ccncc1 143805299 KTLOIOCBIBITJN-WMMMYUQOSA-N 519.593 5.559 50 1 KKGF CCCNCCCc1ccccc1/C=C/C[C@H](C)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 150344277 NEEKCFCZMUHNGY-OPYHMTRZSA-O 899.121 6.850 50 1 KKGF biogenic,in-vitro c1ccc2c(NCCSSCCNc3c4c(nc5ccccc35)CCCC4)c3c(nc2c1)CCCC3 169309087 WENTUEGJRGNGKW-UHFFFAOYSA-N 514.764 7.446 50 1 KKGF COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C/C=C(\C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)/C=C(\C)C=O)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)O1)OC 169314482 JTTOTBPBQLZKCX-OPLXEXMFSA-N 914.187 6.636 50 1 KKGF COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)c2c1 169355470 MBAQHIKTOFDTQI-HXTFPVGASA-N 622.759 5.129 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCc2cccc3cc[nH]c23)c1=O 170071042 USAGWBBUYZOBDV-OOYVEPSZSA-N 733.049 5.251 50 1 KKGF CCN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 473125693 ROVOMTKDBYPSHX-NKTDAKMPSA-N 516.726 6.191 50 1 KKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586973471 KGWNBZXXJMTZIH-CQSZACIVSA-N 504.837 6.064 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332900 KHNXYVCDIQRSQX-ZSHLJQPHSA-N 536.962 5.274 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(OC(F)(F)F)c1F 587558911 YDXQURKAVUELTF-UTKZUKDTSA-N 513.237 5.682 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 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CCCc1c(O)ccc2c1O[C@](c1ccc(Br)cc1)(c1ccc(CNC(=O)CCl)o1)CC2=O 587458319 RUJDNMHTQLEMOK-RUZDIDTESA-N 532.818 5.464 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587540039 ZMVNFCPJKIWGCR-GCJKJVERSA-N 510.167 5.960 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 587673923 RPMWKLPWFAYQLJ-ODCWNRFASA-N 523.328 7.110 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](OC(=O)CCl)[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 653727988 GGBRDAUMUXSKBB-PUZBIQRQSA-N 625.674 7.784 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccc(Cl)cc1 962691167 BFLLAUFRPAHAFZ-GGAORHGYSA-N 515.334 5.987 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(c1ccc(C(=O)OC)s1)C(Br)Br 962989768 GTNDHDUQGSZBDB-MHZLTWQESA-N 685.818 6.223 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)([C@H](C#N)c2nnc3n2CCCCC3)N1 963168777 DZAYWPNFWIQBSH-ICFGUAQVSA-N 672.233 6.026 50 1 KKGF 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CN[C@@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1cccc(CO)c1 2356443981 GCYFHEDPPVNSBY-GZKXOMMNSA-N 673.897 8.240 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356508180 RUGXEKJDFWNRGN-BTJSSHEFSA-N 671.016 10.874 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c1O 2356616548 XPBHSSKKEQQMDX-INBTWYCUSA-N 710.911 7.591 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356645094 FMXGBXQYOLAMDL-VSQXJJIJSA-N 795.118 7.035 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356772991 NRFWZMACYSPEQA-VUTUAXFTSA-N 994.367 6.870 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356773624 DVRVUVICZDUCTK-ZEUZNMRRSA-N 914.336 8.140 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)CNC[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)[C@H](c3cc[nH]c3)CSSCO[C@H]2[C@H]1O 2356846348 ONBPDZPTHYWIMI-DCPXYNGISA-N 889.061 7.432 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCCC[C@@H]3[C@H]1OC4=O 2356861457 UJFBSWKXEYVEHG-WXGXKHFESA-N 820.994 6.703 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356866499 VNRNFOCGCYBIDR-CRLCUZEDSA-N 884.174 7.626 50 1 KKGF Cc1ccc(Cn2cc(/C=N\NC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)c3ccccc32)cc1 15986295 FCFIMGYJKSFKSJ-UHBFCERESA-N 522.634 5.103 50 1 KKGF COC(=O)c1ccc(NC(=O)c2c(SSc3c(C(=O)Nc4ccc(C(=O)OC)cc4)c4ccccc4n3C)n(C)c3ccccc23)cc1 27732000 AUBACICQQGUNEF-UHFFFAOYSA-N 678.792 7.547 50 1 KKGF N#CC(=C(/N)Sc1c(F)c(F)c(F)c(F)c1F)/C(C#N)=C(\N)Sc1c(F)c(F)c(F)c(F)c1F 43307599 QVFZJKNDDKKINR-SCGPFSFSSA-N 530.372 5.350 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(N3CCN(C4CCC5(CC4)OOC4(O5)C5CC6CC(C5)CC4C6)CC3)c2c1 44351390 RXXZVCHWZBPMHZ-UHFFFAOYSA-N 590.164 6.942 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3c(C(C)=O)cccc43)[nH]c2c(OC)c1OC 49680300 XDWNQMVXLIYVJG-OAHLLOKOSA-N 537.956 5.441 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4cccnc4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283535 GLTZVRBIMKYWTM-XICOUIIWSA-N 572.641 5.980 50 1 KKGF COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907833 JOLMVGTWZDVSBW-HKBQPEDESA-N 603.629 7.126 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSSC[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344186 GVGPLUOYFCBFKB-AGIGFZNHSA-N 739.960 7.762 50 1 KKGF biogenic,in-vitro COc1cc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc(OC)c1OC 150592365 ILSTVMMTOHOORZ-BQPIDBIJSA-N 624.727 6.212 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(-c3ccc4cn(Cc5ccc6ncccc6c5)nc4c3)cn2)CC1 170187823 SGCGRBMTXZLJBR-ISILISOKSA-N 537.784 8.002 50 1 KKGF C=CC[C@H]1[C@H](Sc2ccccc2)C(=O)O[C@@H]1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195118276 ZGCTVUUBMCBOIR-OCBJUFRSSA-N 530.806 6.622 50 1 KKGF O=c1c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cc(Br)cn1Cc1ccccc1 587006148 IRTNRPOPXRZGSZ-UHFFFAOYSA-N 506.294 6.860 50 1 KKGF Cn1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(=O)C(Cl)(Cl)Cl 587323783 MQMZPBCNDZCNTI-UGKGYDQZSA-N 531.194 5.916 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325979 IZZDPCRBKGUPKC-FVVBACEJSA-N 526.004 6.004 50 1 KKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326575 LYFGTYCUHYCFGC-BHYWQNONSA-N 531.023 7.597 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(-c3ccc(Cl)cc3Cl)no1)CC2=O 587456064 JZDRUJLYEVNFIW-JOCHJYFZSA-N 511.199 6.562 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 587673624 OURBMFZTNYWYLX-JBEBIEQOSA-N 501.237 6.332 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@@H](C(=O)C(F)(F)F)Cc2ccccc23)C1 962775344 ZMOBZEPUHFCKHK-NXXSMBGGSA-N 655.539 6.837 50 1 KKGF C[C@@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(C2=O)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963029416 BOUSWAIQZJZTTI-AYGOGPQYSA-N 650.516 6.821 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c2C)cc1OC 963200069 XNSWOVMQJQFVAZ-ZBLYBZFDSA-N 585.450 6.118 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963442644 FMHGSLGDPFNRRJ-HNVUPHGUSA-N 537.841 6.000 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1ccc(F)cc1)c1ccccc12 1772622580 KBTIZYXZEFFIPY-PSXMRANNSA-N 616.616 5.575 50 1 KKGF CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 1857742269 KASDHRXLYQOAKZ-FZZXWKPASA-N 810.466 5.719 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C3CCCCC3)[C@@H]21 2356349562 HVFSMHSJNQCERU-FLTJGUPZSA-N 950.410 8.723 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@H](CNC3CCCCC3)C1)C[C@H]1[C@@H]2C[C@H]2CSSC[C@@H](C)NCc3ccccc3Cc3cc(O)cc(c3)C[C@H]1C2 2356354707 PDIWDWIZZIMVLK-IMUVHAEOSA-N 727.181 11.132 50 1 KKGF C[C@H](O)CCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356371716 OOKVELPPMMNHTL-HPBGCOEOSA-N 890.181 8.317 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3c(cccc3CNC)CC[C@H](c3cccc4cocc34)CNC(=N)N2)C1 2356432615 GSBFFOKRFIPJRH-ZOUYWWNQSA-N 923.387 11.435 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@@H]2[C@@H](CC)N(CCCOC)CC[C@H]21)C4 2356705442 NWMOTIHYTCEZSX-OBRGPDRZSA-N 865.033 6.040 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CC3=O)[C@H]3C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@@H](O)C2)C4 2356859371 STVBKEAOVKTLOC-LXHVYXDESA-N 969.372 8.479 50 1 KKGF C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)N(CC(C)C)NC(=O)OC(C)(C)C)C(=O)O 29048604 ZJIPATWFWJMVFO-TVMOPFAQSA-N 687.794 5.395 50 1 KKGF C=C[C@@H](CO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 49774383 KZGRVZSNLUMWCC-XKYNIAOTSA-N 620.780 5.990 50 1 KKGF CSCCCCCCCCCCOc1ccc(C=C2C(=C(C#N)C#N)c3ccccc3C2=C(C#N)C#N)cc1 73352734 QUHFMUCKDBZVPB-UHFFFAOYSA-N 532.713 8.248 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)c1 103195487 NCVDBHXXNOWBEZ-XZOQPEGZSA-N 552.812 5.646 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@]13CC[C@@H](C[C@@H]4Cc5c(c(OC)cc6c5[C@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)[C@H](C)CCSS3 150342939 RRHZPGGORDAYLB-QWOWQVBLSA-N 672.865 7.528 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H](n2ccc(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195484883 STPFNZPGQPDBNI-LGKPFJOYSA-N 586.011 6.526 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C=C\OS(=O)(=O)O 231928866 FPZCWGAMOFPTED-RTCKBBKWSA-N 620.935 8.589 50 1 KKGF Cc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2)cc1F 587146078 YEPNVRRNXFYAOO-UHFFFAOYSA-N 541.742 9.418 50 1 KKGF COc1cccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587189242 AGGXTTOUYGOMKX-AZULJXBDSA-N 591.793 6.603 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 587337736 OQEXDFGBQQIXNX-RBBKRZOGSA-N 508.714 5.629 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537294 CLEFRCMJRYCVIC-ARWCUYQDSA-N 517.375 6.825 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539520 WTSUGPWMRWFNBN-LBNVMWSVSA-N 564.819 6.284 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587689947 XXIDWLOXDUOTSW-BZQUYTCOSA-N 505.859 6.411 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c13 587713499 DGOIJXKONXJIAA-ZSBZXLIPSA-N 693.069 7.464 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587841798 CORUUHOCOMEWIE-CWKPULSASA-N 517.848 5.110 50 1 KKGF Cc1cc([C@@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)cc1Br 962565778 CNSBUNATHJCUDD-CPBHLAHYSA-N 631.954 7.204 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962714838 SZPRVPRBTPMHCJ-NFQMXDRXSA-N 515.481 6.312 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](COc2ccc(C(=O)Cl)cc2)(C(C)(C)C)N1 963154653 DDIYZSNBULDCLS-BFZSYRKTSA-N 674.241 7.666 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccccc2)([C@H](C)Cl)N1 963161233 KWYDLACZAORJDH-STODOFRLSA-N 588.151 6.838 50 1 KKGF Cc1ccc([C@]2(CBr)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1 963195665 ZZWANLNQZTZNMW-GMCHKSTQSA-N 586.482 6.795 50 1 KKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2(F)F)cc1 1772629444 OEPXPZSRQIXVNF-JOCHJYFZSA-N 518.404 6.216 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H]3C)[C@@]12O 2356353440 OCOAVSLDWWRZCV-WKCIYVFVSA-N 952.426 8.969 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@H](CSSCO4)[C@H]56)[C@@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356387400 RUIXHNSGFOBLOG-SVNPIULISA-N 768.947 5.752 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356417231 VPZOAEMEYPVBPY-PVOMKRBESA-N 923.289 7.220 50 1 KKGF C=C(C=CC=C(COC1(O)CCCC1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356476739 JMLZQLAOZGZBIU-MUGRACKJSA-N 841.187 7.258 50 1 KKGF CC[C@H](O)[C@@H]1SSC[C@H]2CC3=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@@]4(CC3=O)[C@@]5(C)CCSSC[C@@]3(C2)NC(=N)NC[C@H]3Cc2cc1ccc2CO 2356514728 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CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@H](CC)C1)C4 2356769693 LFPJUMCZUPGENK-XGWFZXIMSA-N 871.037 5.093 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356804112 AAVIMOHDYBPHGP-YPDVHBNZSA-N 853.209 7.277 50 1 KKGF CC1(C)c2[nH]c(Br)nc2C=CNC(=O)Cc2c([nH]c3cc(Br)ccc23)C[C@H]1Cl 2356805349 VGTRKWHXYRQHNW-MRXNPFEDSA-N 526.660 5.187 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356838538 MAWNJNJOJZCNSV-XPQFEBFDSA-N 959.377 9.481 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356839599 LWFYZARFDBSVPL-LMUNKQRESA-N 840.205 10.079 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356876118 ZVKPSNJNGCNBCY-HJYMFGFESA-N 816.055 6.209 50 1 KKGF O=S(=O)(CCCNc1c2ccccc2nc2ccccc12)c1ccc(N(CCCl)CCCl)cc1 26823374 DHIANMIAOSGPNC-UHFFFAOYSA-N 516.494 5.948 50 1 KKGF O=C(SC[C@H](CN1CCCCC1)SS[C@H](CSC(=O)N1CCCCC1)CN1CCCCC1)N1CCCCC1 28873075 VNGXRBMBGVPKDL-UIOOFZCWSA-N 603.002 6.755 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 44093543 QHBVSZZSIUMZBD-BSEOWKLZSA-N 536.753 7.268 50 1 KKGF O=C(CC[C@H](NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1)NNc1cccc(OCc2ccccc2)c1 58581967 UNBCLNDLTZGOIX-PMERELPUSA-N 567.642 5.527 50 1 KKGF biogenic CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc(c3)NCSSC[C@@H](C3CCCCC3)C/C=C/4OC5=O)[C@@H]21 85571184 VAIJUJRYLJEZIO-BXODLGFPSA-N 644.903 8.686 50 1 KKGF biogenic,in-vitro CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](C[C@H](O)OCCCO)C1 85596912 PJXCMBHIQZLBRQ-KFVRCSCBSA-N 787.058 5.778 50 1 KKGF biogenic,in-vitro CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(\C)C=O 85953129 FPLASDSFNINBIY-NXUFVKJASA-N 548.855 11.893 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(F)c1)C(N)=C(C#N)[C@@H]2c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96908490 WMZFAUQACNMASX-PMERELPUSA-N 573.603 7.118 50 1 KKGF COc1cccc(C(=O)N(N(SOc2ccc(Cl)cc2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C 103293502 YJKFIGTUSRLLQJ-UHFFFAOYSA-N 527.086 7.214 50 1 KKGF CCC[C@H](C)C[C@@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@@H]1CCCCO1)O[C@@H]1CCCCO1 205905552 WXQXQKMIIRXKKK-PZAHGBOQSA-N 723.102 9.048 50 1 KKGF COc1ccc2nccc([C@@H](O)[C@@H]3C[C@H]4CCN3C[C@@H]4CC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c2c1 253655857 MBAQHIKTOFDTQI-RELDQWPQSA-N 622.759 5.129 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)[C@@](C)(COC(C)=O)[C@@H]5CC[C@]43C)[C@@H]12 255285119 YRXMJZHBWIPRHC-UQLPHTRSSA-N 540.785 7.318 50 1 KKGF O=C1c2ccccc2[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 587053905 DYBJQGIVNXWSQV-ZCYQVOJMSA-N 681.352 10.561 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054141 CQUNMDHXERFDGH-VGOFMYFVSA-N 554.197 8.123 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587542783 ILJAHDOJOBBJHL-MXBOTTGLSA-N 576.001 5.469 50 1 KKGF O=C(CCl)NCc1ccc([C@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587548707 VGMUYGBANLPYMR-IGKIAQTJSA-N 568.807 5.508 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587959160 JZUGRYNKBWATFU-RCHUDCCISA-N 607.571 11.837 50 1 KKGF CCCc1ccc([C@]2(CBr)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962629506 ONTGJHFUQXDYSB-WNCULLNHSA-N 530.459 5.727 50 1 KKGF CCC[C@@]1([C@H](Br)CC)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962673893 LJXGRMKMJUZEMW-HYBUGGRVSA-N 528.409 6.590 50 1 KKGF O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962715131 SPWCDSCPBRBYLV-ZOYWYXQUSA-N 528.092 7.527 50 1 KKGF C[C@@]1(c2cccc(S(F)(F)(F)(F)F)c2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963064412 AXXXDPZZGWNHDL-AEGYFVCZSA-N 801.723 10.564 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2ccc(OC)cc2)N1 963158154 NBRXAWRBTIWXCN-JUKUECOXSA-N 648.601 6.614 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cc3cc(Cl)ccc3o2)N1 963172823 OBNAEDXQWWAOML-NBWQQBAWSA-N 693.041 8.005 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCl)(c2ccc(Cc3ncc(C(F)(F)F)cc3Cl)s2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381217 RXULKQLXKAHYEY-WNOXWKSXSA-N 753.626 8.943 50 1 KKGF CC1(CC[C@@]23C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]4CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc54)CSSC[C@@H](CC2)C3)CCCC1 2356307578 CZVQQCKXUHOLSC-BTPCZYTPSA-N 858.183 10.376 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2 2356357632 JZOLJCGNCRDGQY-CRRUNIOVSA-N 941.358 10.704 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356364937 BUXXJUOCOXGZNO-NPUNQMAOSA-N 717.004 5.251 50 1 KKGF CNCc1cc(O)cc([C@@H](NC)O[C@@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3[C@H]3CC[C@H]2CCCSS3)c1 2356370785 SZWMIKZYBRSUCU-ZZQJPVEWSA-N 702.939 8.173 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)CSSC1 2356455135 IINOTAJYFPVTFQ-AOMKIAJQSA-N 512.697 5.917 50 1 KKGF C=C(C)[C@H](CC[C@]1(C)O[C@H]([C@](C)(O)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@]3(C)O2)C[C@@H]1O)OC 2356475141 QDLARPIFFMRRKI-MBAMXITPSA-N 617.662 5.614 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](O)[C@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C1 2356537810 GTLHTVNKXAOYFH-YGYDFWLQSA-N 672.174 10.742 50 1 KKGF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@H]5CC[C@]6(C)[C@H]([C@H](C)C=C[C@@H](C)C(C)C)CC[C@H]6[C@]56C=C[C@@]3(C2)OO6)O[C@H]1O4 2356717104 HCBLZWNIJGQSSM-HGKSTMFLSA-N 782.971 9.729 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@@]1(C[C@H](CNC3CCCCC3)C3(CCCC3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSSC[C@@H](C3)C[C@H]12 2356735179 ALCHOLVLMLSLBL-XMDGJMIOSA-N 781.273 12.303 50 1 KKGF C=Cc1c(C)c2[nH]c1=CC1=NC(=CC3=C(C)[C@@H]4C(=O)[C@H](C(=O)OC)C(=C5N=C(C=2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C4=N3)C(CC)=C1C=O 2356766740 ZJTSOHVFOHPWJC-FAUVPJHOSA-N 885.203 10.171 50 1 KKGF CCC1=CC2=C(C#CCc3cc(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OC)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@@H]2O4)C3)N[C@@H]1N 2356820344 FJWIMYTYZNBRAF-OYGYDJCPSA-N 914.203 9.262 50 1 KKGF CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(-c2cc(Cl)cc(F)c2OCC(F)F)cc1F 49766495 NRUMXOPTHWVHMM-SECBINFHSA-N 530.828 5.010 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4C4(CCCC4)c4ccnc(c4)NCSS[C@@H](NC[C@H](C)O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 85571148 VYMGPVWESCECHW-ZWBJLIFUSA-N 758.063 8.862 50 1 KKGF biogenic,in-vitro CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl 95872935 KPVVJDZADXTVHP-SSEXGKCCSA-N 694.678 6.010 50 1 KKGF COc1ccc(N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)N/N=C\c3ccc(Cl)cc3)cn4C3CC3)CC2)cc1 98082763 XNKDOBVALJHXHA-HQDYHJHZSA-N 574.056 5.228 50 1 KKGF CC(C)[C@@H]1CSSC[C@@H]2[C@@H](C#CC[C@@]3(CCC[C@H](Cc4cccc(O)c4)C3)NCOc3c4cc(c5c3O[C@@H](O)[C@H]2C5)CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCO)c2C#CC4)/N=C(\N)N1 150348331 RWSWBSKUPXGNRH-IAMBJZAISA-N 953.237 5.902 50 1 KKGF biogenic,in-vitro Cc1cccc(C2=C/C(=C(\SS/C(C(=O)c3ccc(OCC(=O)O)c(Cl)c3Cl)=C3\C=C(c4cccc(C)c4)SS3)C(=O)c3ccc(OCC(=O)O)c(Cl)c3Cl)SS2)c1 150602014 BVYDMAWCWJHUAI-NXRKLTDKSA-N 968.854 13.586 50 1 KKGF CC1(C)[C@@H]2CC[C@]3(C)[C@H](CC[C@@H]4CC=C(O[Si](C)(C)C(C)(C)C)C[C@]43C=N)[C@@]2(C)CCC12OCCO2 474609892 WSXLGPLMCLSLRJ-WLVILIPRSA-N 515.855 8.334 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191694 VJOIDZPYFVVOBS-YEXLVFSCSA-N 675.108 8.011 50 1 KKGF O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325910 HNGRVMXLODQXBG-LMSSTIIKSA-N 581.383 6.573 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2F)[C@@H]1c1ccc(F)cc1 587333645 WROBJDVOAKHLMW-IFMALSPDSA-N 513.256 6.339 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)cc1 587333655 WROBJDVOAKHLMW-UNMCSNQZSA-N 513.256 6.339 50 1 KKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)cc1I)[C@@H](C2)C3=O 587427194 HOHOFOXVZNLXMY-UGSOOPFHSA-N 564.011 5.100 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1 587670334 KCULILYJYKGLOP-YQQIJLMBSA-N 675.028 7.537 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CBr)cc12 587673595 OPXYKDSYPHKVID-RZFZLAGVSA-N 515.220 5.854 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 587676469 DSUHRAZGEBCATO-ZLOXQWCVSA-N 570.684 5.625 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(I)cc2)N1 587738735 QLYGGWSMWWQRDG-QGHHPUGFSA-N 539.024 5.366 50 1 KKGF C[C@H](Br)C1([C@H](C)Br)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962565417 ABFSRRRMGHEDHL-XOWTYJCDSA-N 614.334 6.104 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3ccc(F)c(C(F)(F)F)c3F)N12 962666017 MBSQHIULEJKYFB-FGZHOGPDSA-N 529.303 5.269 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(C3=C(NC(C)=C(C#N)[C@H]3c3ccc(C)cc3)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674168 NEDMEZYNYDYNGB-VZWFPNHASA-N 647.697 7.882 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cccc(OC(F)F)c1)N(C(=O)c1ccccc1N)CC2 963159674 RDSIQNNFZMIVBG-SANMLTNESA-N 547.396 5.224 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CCl)c1cnc(N2CCCCC2)s1 963863374 VCMOXIQAVHARKG-BCHFMIIMSA-N 520.095 5.561 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(CCN2C(=O)c3ccccc3C2=O)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947389 NIHXPTVSVFEROW-DJGIDREFSA-N 755.757 5.100 50 1 KKGF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)N/N=C(/C)C(c2ccccc2)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 1772616003 LHVAYKIUGJDJDS-PPRQNECJSA-N 583.645 5.213 50 1 KKGF C=C1[C@H](OO)CCC(=O)O[C@H](/C(C)=C/C=C/C[C@]2(O)CC(=O)O[C@@H](CC)[C@@H]2C)[C@@H](C)/C=C\C=C/[C@H](OC(=N)O)[C@@H](C)[C@@H](O)[C@@H]1C 1772651049 PBFFCVHRTZVSSP-HGLRQFDLSA-N 633.779 5.351 50 1 KKGF COc1ccc2[nH]c(C)c([C@@H]3C(C#N)=C(N)Oc4c3cc(/C=C/C(=O)c3ccc(C)cc3)cc4C(C)(C)C)c2c1 1857644031 UTOPYZYGVYACKZ-JZVRGSIDSA-N 531.656 7.205 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@@H]4C[C@@H]3Cc3cc(O)cc(c3)Cc3ccccc3CN[C@@]3(C)CC[C@H]4SSC3)[C@@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 2356356128 JFJQLLPOBNPQOH-NRZJWYQFSA-N 739.192 11.132 50 1 KKGF CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@@H](O)CSS2 2356360792 OERYIYLVVSNKNF-XDLZJEIZSA-N 583.772 5.978 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](C=C[C@H]3[C@@H]1O[C@H](c1cc(O)c(O)c(OCCc4cccnc4)c1)C[C@H]3OC(C)=O)SSC2 2356361366 ZVXOQNXYVZAKPZ-ORETYRCRSA-N 776.978 6.194 50 1 KKGF CC(C)(O)C=CC[C@]1(C)[C@H](Br)CC[C@]2(C)C[C@](O)([C@@H]3Cc4cc(C(=O)O)ccc4O3)CC[C@@H]12 2356406642 BOWUPEPELVRGFV-KHCCGMNBSA-N 521.492 5.507 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356510141 OLWURSRHTREDBX-VEXZABHESA-N 926.248 7.328 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)N3C(=O)CCC3=O)[C@H]12 2356745034 YOZBQJOSNGGTON-IIIJUOJRSA-N 563.735 5.714 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H]([C@]23CCC[C@@H]2C=Cc2cncn23)SSC1 2356832014 HZAJISKWEQDHJM-LOYXUXIZSA-N 672.917 6.877 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNC1=CC2=C(CC[C@@H]4CCC[C@]24C[C@@]2(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]2O)CN1 2356843895 NQQQWBDMWPYREV-USTDWNCDSA-N 943.194 5.832 50 1 KKGF CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145582 JGJOEMKAPJEZCG-APTOLJODSA-N 505.703 5.196 50 1 KKGF CCCCCCCCCCN(C(=O)c1ccc(CCl)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 49780219 JVNXWEIOXQLEAX-JZUUMFCRSA-N 597.328 9.240 50 1 KKGF COc1ccc(C2=C(c3ccc(NCCCCCC(=O)OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)cc3)C(=O)N3CCC[C@H]3C2)cc1 49949646 RMRQOYSJCXMYMU-REBGATAJSA-N 674.864 5.769 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)[C@@H](C)Nc3c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC 95546527 KHWHDYUTJNRFFI-OFNKIYASSA-N 817.256 5.877 50 1 KKGF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(CC1CCCCC1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 95610743 SCXPBQLVENQIFS-GTKRZRNESA-N 757.973 5.890 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)COc3ccc(C(=O)/C=C/c4ccc(Br)cc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 102247693 GAILOMDFHROEQO-DCIRZMONSA-N 627.528 6.475 50 1 KKGF CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 150588051 MBARHZREGNNHPN-VHFKIGOXSA-N 773.946 9.551 50 1 KKGF C[C@@H]1[C@@H](CC(C[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 169615549 CRSJHIRCVZDTHB-JVQXXGOJSA-N 832.066 7.556 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccc(C)s2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253633823 NSWSWPQSYVIFLJ-TYUCHBGVSA-N 593.569 6.217 50 1 KKGF Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)c3n2)cnn1C 587130315 SDNOJCJBKHZBGE-UHFFFAOYSA-N 638.411 8.300 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587324457 ZKBDNPJWQOFBTK-XCZPVHLTSA-N 531.381 7.596 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541943 DUQRRXYDNQBGPZ-NAKRPHOHSA-N 520.368 6.128 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl 587544323 NRRIUFHRNPMMDZ-RPLLCQBOSA-N 528.819 7.202 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962719601 UHRXHRCMBSCTFY-LWUFXRSXSA-N 704.612 6.839 50 1 KKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1cccc(I)c1 963281645 UFTUZKXJYVZDLR-KRWDZBQOSA-N 521.034 5.180 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368779 UNJBTFJTOSNQJB-IGKIAQTJSA-N 590.392 5.894 50 1 KKGF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)N/N=C(/C)C(c2ccccc2)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1772616002 LHVAYKIUGJDJDS-NNRYEYMRSA-N 583.645 5.213 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1ccccc1Cl)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857576224 JUZNOJCPYGNUHF-NGTFPUNISA-N 626.069 6.247 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)Nc3ccc(NC(=O)[C@@]4(C)O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]4[C@]75OO6)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857767066 JWJWPNZGHZYZMN-CRKCJYDTSA-N 668.784 5.573 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@H](CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356350358 AQXDRUDBROEMMX-SQABDZPJSA-N 690.973 5.657 50 1 KKGF CNCc1cccc([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@@H]24)c1 2356362576 GLFRRUZICYOJRP-KQJMIKIPSA-N 664.982 5.406 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@@](C)(O)CCCC(C)(C)OO)CC[C@]23C)C1(C)C 2356448117 PCHIVLNSEKZZQK-FIXLFLFVSA-N 520.795 7.793 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](C(C)C)Cc2cc(c(O)c(O[C@@]3(CNC)CC[C@@H](CCOC)C3)c2)N1 2356465895 KYTSJXIJXUBRGZ-BQRSGOSWSA-N 769.087 7.589 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2[C@@H](CCCO)SS[C@@H]5O)C1=O 2356482678 RLIWUVLXIGHWPH-KAFIPTLRSA-N 898.238 6.458 50 1 KKGF 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@]5(C)[C@H]4CC[C@@]32C)O[C@]12C[C@H](C(Cl)Cl)[C@@H](C)CO2 2356564783 CHKSBIWGMUSRLX-ZXBWZMOYSA-N 513.546 5.715 50 1 KKGF O=C[C@]12OCSSC[C@H](C3=CCN=C3)[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)CNC[C@]1(O)[C@H](Oc1ccc3c(c1)OCC(=C1C=CC(O)=C[CH-]1)C3=O)O[C@H](C(=O)O)[C@H]2O 2356827697 IOMYCSSPZIWQSL-UTLAETTDSA-N 918.079 6.125 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356843555 NNCIVVPOVFNIGV-MHPFDENESA-N 959.377 9.325 50 1 KKGF O=C1[C@@H](Cl)[C@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009699 ATBZTJLBWDORJQ-CUVBYSPASA-N 551.049 5.173 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49898240 DFPBBOCDGYBNBR-DRDSVTRQSA-N 550.689 5.419 50 1 KKGF C[N+]1=C(/C=C/C=C/C=C2\N(Cc3ccc(CCl)cc3)c3ccccc3C2(C)C)C(C)(C)c2ccccc21 59047004 XLXJUEGVYPQTAL-UHFFFAOYSA-N 508.129 8.426 50 1 KKGF in-vitro Cc1cc(OCc2c(-c3cc[nH]c(=O)c3Cl)noc2[C@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622152 FVLPRJLVJBXVNG-HNNXBMFYSA-N 552.414 6.727 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cc(Cl)cc(Cl)c1)SS/C(=N/c1cc(Cl)cc(Cl)c1)OCCN1C(=O)c2ccccc2C1=O 95615159 YPUSBLROPAYGPV-CFTRLRGZSA-N 788.518 8.982 50 1 KKGF CCOC(=O)CCN(Cc1ccccc1)SN(Cc1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103169888 ADINPHDKTAXTTB-UHFFFAOYSA-N 575.819 7.542 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](C4)C[C@@H]1CC[C@H](SSCC[C@H]1C)[C@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2 150342911 OMKAVNALZQESRL-XZCYIGPBSA-N 708.939 8.720 50 1 KKGF biogenic,in-vitro CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)[C@@H]3C=C[C@H](SSC/N=C(/NC)Nc4cc(cc(O[C@@]5(CNC)CC[C@H](C[C@H](O)OC)C5)c4O)C14CCCC4)[C@H]2CC3 150347351 NFLIPYAIKRWUHH-UZXWZNINSA-N 891.254 9.266 50 1 KKGF biogenic,in-vitro O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)[C@@H](CSSC[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)Cc1ccccc1 150616832 PSWMWFZRKCACRI-BNJDOESSSA-N 865.130 9.027 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169354472 YCOIJPSIDUQDNN-MLFMYXKDSA-N 812.448 5.694 50 1 KKGF CCC[C@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 210368638 FVCRIYXDWAAIME-DYVQZXGMSA-N 743.868 9.413 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cc(C)c(O)nc2=O)C[C@@H]1O 299816776 RDUNIJYOOPTOPY-FWEHEUNISA-N 719.146 6.262 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccccc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 299828647 SFOBMADEYUECEF-NHXQZRDHSA-N 598.719 6.759 50 1 KKGF C[C@H](CCC(=O)N[C@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299848643 UVECCUOFVSIRQV-PCSYRILPSA-N 746.942 6.670 50 1 KKGF CNc1c(Br)cc2oc(C[C@H]3O[C@@]4(CC[C@H]3C)O[C@H]([C@H](C)C(=O)c3ccc[nH]3)[C@H](C)C[C@H]4C)nc2c1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587000792 KVYUKKKBBRATHL-GCZGUMMQSA-N 800.689 10.795 50 1 KKGF COc1ccc(Br)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319545 CALYIVSYMGFCDX-JTHBVZDNSA-N 536.191 5.952 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(Br)cc1C(F)(F)F)CC2=O 587463652 ZHFQJPFFXQCNDK-IBGZPJMESA-N 522.155 6.382 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccc([N+](=O)[O-])cc1)[C@@H](Cl)C(=O)Nc1ccccc1 587545929 SZXWRLGETWRRPH-WSHBGFIESA-N 530.920 5.404 50 1 KKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]2(CCCCCCl)c1cccc(I)c1 962703159 HVWBCOJHXNAYMY-GBXCKJPGSA-N 543.917 6.837 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCCCCCCl)(c2ccc(C#N)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364709 HJPUBHXNWSXISP-VQIIKMDRSA-N 649.187 8.046 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@]2(CBr)c2cc(C(F)(F)F)ccc2Br)c1 963584929 TZYWYCIDQREAHG-HHHXNRCGSA-N 715.286 7.778 50 1 KKGF CCNC(=O)C1=C(NC(=O)CCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=C2C=C(C(C)C)C(O)=CC2=O)ON1 1857538249 JIBKAVNMUKPLKA-UHFFFAOYSA-O 664.763 5.401 50 1 KKGF C[C@H](CCNc1ccnc2cc(Cl)ccc12)NCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1857555815 BEFITUVVENYRBQ-VELMAMSISA-N 560.135 5.893 50 1 KKGF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C/C(=N\S(=O)(=O)c1ccc(C)cc1)OCCCCl)OC 1857591915 GQCSWNNTPFIUDL-FSRNAGDHSA-N 588.210 7.068 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)CSSCCC[C@@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@H](N[C@H]1CCC[C@@H](Cc3ccccc3)C1)CSSC2 2356301290 UCSMOKLOOZOHLG-KSELDJOWSA-N 944.316 11.118 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@@H]2O)cc(OC)c1O 2356359393 JTGBKXDBDBFEJL-GHSXMSGKSA-N 670.846 6.106 50 1 KKGF C=C1C[C@]2(CC[C@H]([C@@H]3CC[C@@H]4CC[C@H](O)C[C@]4(O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@@H](c3cccc4cocc34)CNC(=N)N2)C1 2356360306 CRULUGJYGFUFIZ-ZNLMXAJHSA-N 906.356 11.962 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356371654 NMBBGKGXVDLYGG-MROZYHTESA-N 785.123 7.016 50 1 KKGF CCCC[C@@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@H](OC)c2cc(O)c1c(O)c2 2356399242 QSSPVYZUPDQNSI-NPYPODLYSA-N 815.869 7.954 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)O[C@H]([C@@](C)(O)CC[C@@H](O)[C@]4(C)C[C@@H](O)[C@H](C(C)(C)O)C4)CC[C@@H]3O2)CC[C@@H]1Br 2356440300 VVPGMZKHHNSPAS-FEJSWIALSA-N 619.678 5.023 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356456839 SAAHHDXWOUZPPE-UYYBVNRQSA-N 918.316 8.971 50 1 KKGF CC(=CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356544269 JJTXYVOUNQSSNW-ADMKBHOJSA-N 587.636 5.989 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2[C@H](N)C[C@H]3C[C@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)[C@H]6C=C[C@@]8(CCC[C@@H]8C6)[C@@H]7CNC[C@@H](C)O)c5)cc4CO)CC[C@@]24C=C[C@@H](C[C@@H]34)[C@H]1C 2356587643 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CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356840463 MREJDUBPMRJHRI-ANXOCQOHSA-N 781.997 6.375 50 1 KKGF CCCCCc1cccc(C[C@@H]2C[C@@H]3[C@H](O)C[C@@H]4[C@H](CC[C@]45CCCC54CCCC4)CSSC[C@@H]4CC=C5OC(=C6OC(=O)C(CO)=C6OC)[C@H](CO)[C@@H]5[C@@H](C2)N43)c1 2356872535 YZXBMXWESHULLH-NAZYATRMSA-N 834.198 8.886 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(CSc2ccccc2)=N1 43260375 NWSIDRKSUHXTPY-YXKQXEFASA-N 577.672 7.752 50 1 KKGF COc1cc([C@H]2CSSC[C@@H](C3=C[CH+]N=C3)[C@H](C[C@H]3C=CC=C[C@@H]3C)[C@@H](OC(C)=O)CC(=O)C2)cc(O)c1O 85624547 BMOXLEBDSPQYQR-OFYRQUFOSA-O 570.753 6.039 50 1 KKGF biogenic,in-vitro C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 96933842 ATJWGDQEWMYUDP-HURDLCFYSA-N 515.610 6.000 50 1 KKGF CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1 103210687 MBQGMHDCQJIYRY-DHJMZRGKSA-N 529.643 6.516 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](I)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169372289 QALVTSSVBXFBRB-PFQLSMSVSA-N 696.663 5.974 50 1 KKGF CO[C@@H](C[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/C#N)O2)C(C)(C)[C@H]1OP(=O)(O)O 169687706 YGZQQXOPNYIONQ-PPUWCLNKSA-N 706.814 5.159 50 1 KKGF N=C(N)c1ccc([C@H](NC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 253635900 HFTCHVWOKABTBT-KGTLWGQBSA-N 842.019 5.556 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCC(=O)OCC#CCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299854978 ATBHJBNVRXUIPV-GRKOGERCSA-N 840.996 5.402 50 1 KKGF O=[N+]([O-])c1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl 587047476 INBJLMSZQVBISY-DUXPYHPUSA-N 504.662 7.715 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3c(Br)cnc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054699 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O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@@]2(CBr)c2ccc(Cl)s2)c1 963553221 SCGCCPMMMIMBPD-VWLOTQADSA-N 608.867 6.711 50 1 KKGF COc1cc(N[C@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(F)cc1 1857762856 SMPVBYRPUWVUJF-WGYKOULYSA-N 645.816 8.169 50 1 KKGF CNC1(c2cc(O)cc([C@H](Cc3ccc(O)c4c3CSSC[C@](C)(O)CNCO4)C(=O)C[C@H](O)[C@@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCCC1 2356299808 HJPVVQBYYCEBCV-CCDUAGLFSA-N 960.272 9.583 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(C)O)CCC=C(C)C 2356350231 XRKSHLBMQQSJSI-YLYMHRKWSA-N 554.768 5.009 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCCC4)C[C@H](O)[C@H]3C)[C@@]12O 2356362253 DAHLNDLXPKWOBR-SIIOQZLBSA-N 783.198 9.120 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)CCNC(=N)N3 2356425764 ROHOJMVXUMLBPB-HUHIJQCJSA-N 613.934 5.996 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@H](OCNCCc1ccccc1)CC(=O)CC2 2356668647 XFYFCCDWVGORMJ-KYJUHHDHSA-N 647.859 7.030 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C(=O)Cc4cccc5c4CC(=O)N[C@@H]5N)CC[C@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CC[C@H]1NCC)CCSSC2 2356671959 QKKJNHHSYPGFDU-VXQCMIGYSA-N 830.170 6.346 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@](O)(CO)[C@H](O)C[C@@]6(CSSC[C@@H]7CCC[C@H](CO)[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@]7(O)C3=CC6=O)[C@@]54C 2356773865 KXBHNRURUPYJCL-RLCZSDNXSA-N 934.271 6.136 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@@H](Cc2ccccc2)SSC1 2356855036 QYQNXFWPLLNHTO-DJPGLXEFSA-N 578.800 5.996 50 1 KKGF C[C@]12C[C@H](c3ccc(OCCI)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13557693 QHONKVITDRPHNR-NPSPJNBXSA-N 518.435 5.817 50 1 KKGF COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@H]2CCC(C(C)C)=C[C@H]2O3)c2ncccc2c1 42891899 OZMCBLMXTZPNTB-CUVPWXOJSA-N 509.691 6.144 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc(F)c1)SS/C(=N/c1cccc(F)c1)OCCN1C(=O)c2ccccc2C1=O 49889258 DEMNRALGAVJHMW-YEQLPCBTSA-N 686.718 6.647 50 1 KKGF Cc1cc(Nc2ccc(Cl)cc2)c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2n1 169352620 YEZUORPHFLREAS-UHFFFAOYSA-N 542.898 7.868 50 1 KKGF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@@H](NCc2ccccc2)[C@@H]1O 169360019 OLQRKMUWNZXFCQ-ATRUXEQASA-N 545.595 5.566 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(Br)c2Cl)[C@H]1c1ccc(F)cc1 587328205 BKXFWKMKFPPOCX-PGRDOPGGSA-N 558.600 6.736 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539310 VGYZKCMPMAAAPA-NCNFXNTHSA-N 504.174 5.795 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)c(C(F)(F)F)c1 587549478 QFVGZRHJRLOLPO-RXVVDRJESA-N 558.144 6.426 50 1 KKGF COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)cc1 587681768 ANNWEUNHVWVDNT-KUNJGFBQSA-N 557.847 5.491 50 1 KKGF COc1ccc(C[C@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC 587927517 VNALCXHQYZXEBK-JTQLQIEISA-N 501.315 7.346 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4Cl)cc3F)ccnc2cc1OCCCN1CCCCC1 653705918 BOIYLCUDQVQLJL-HASSKWOGSA-N 624.088 7.378 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c15 962974674 KYGUCSOLNZMYCX-UKBCCJKRSA-N 696.590 6.558 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CCl)c1c(-c2cccc(Cl)c2)[nH]c2ccccc12 963072208 XMZJHLVNMSMDEH-SBCJZHDBSA-N 634.560 7.449 50 1 KKGF C[C@]1([C@H](Br)Cc2c(F)cccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963104553 UUDFIDRQCQBIAL-UQDPWRLZSA-N 652.579 8.490 50 1 KKGF COc1cc2c(cc1OC)[C@@H](c1nccn1C[C@H](C)O[Si](C)(C)C(C)(C)C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963779786 XDFPWNJOOFFOSR-LGGPFLRQSA-N 602.808 6.149 50 1 KKGF COc1ccc(-c2cc(=O)c3c(O)c4c(cc3o2)OC(N)=C(C#N)[C@]42C(=O)N(Cc3ccccc3)c3ccccc32)c(OC)c1 1857565724 BNNNUZGMSPSCNI-DHUJRADRSA-N 599.599 5.102 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(OCO)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@@H]1CSS[C@H]3CO 2356292358 PXLYPPVDZHHBNF-JSQMNEDJSA-N 963.228 7.735 50 1 KKGF CCCCC[C@@H]1CC[C@]2(CC[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OCO)c3)[C@@H](O)C[C@H](OCO)CC4)C2)C1 2356356933 OSEVPXPRIUAFDL-SQCKNRBRSA-N 795.070 6.790 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(c6cc[nH]c6)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@@H]2O)O3)C5)c1O 2356359843 UDCKWZOFJZUSBC-BHGOJPCGSA-N 858.088 8.708 50 1 KKGF CNCc1cccc([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@H](CO)C5)c1 2356372225 AHDBGEZCBGQJDZ-MEHWYNPQSA-N 666.998 5.773 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356462174 ILOJWFOJTRYPKF-DNSPXCGOSA-N 837.199 8.123 50 1 KKGF CNCO[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@@H]2O 2356473320 BFGSJNQMIKZKBI-FBWPVAMHSA-N 583.772 5.805 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@H]41 2356490095 WQPZBDVDAHNQIG-UGKTYXQRSA-N 948.350 7.011 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@@H]4[C@H](C)[C@H](C)CC[C@@]4(C(=O)O)CC[C@@]23C)C1(C)C 2356637006 DIXPDWXERFUNQD-CPLDZIGWSA-N 530.746 7.128 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 2356664073 GZXFTIBVEUGZSC-CJXLITFCSA-N 601.077 10.386 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](CC[C@H]3[C@@H]1O[C@H](c1cc(O)c(O)c(OCCc4cccnc4)c1)C[C@H]3OC(C)=O)SSC2 2356745833 ZZIQLVGNNFRAHC-ORETYRCRSA-N 778.994 6.418 50 1 KKGF C[Si](C)(C)OCc1c(Br)c(Br)c(O[Si](C)(C)C)c(O[Si](C)(C)C)c1Br 2356784605 PGWUCFFEOUVLTN-UHFFFAOYSA-N 593.375 7.753 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356857067 SGGADGQFJHWELB-QWDKOXAASA-N 872.031 5.902 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](Cn2ccnc2)(CCN3)SSC1 2356865350 WBPSCDJASMDGFY-BGOLNKOXSA-N 592.787 6.037 50 1 KKGF COP1(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(CBr)cc2)C(=O)N(Cc2ccc(CBr)cc2)[C@H]1Cc1ccccc1 26576144 PLPSRTKOASXIOP-GJYNQWBJSA-N 710.447 8.976 50 1 KKGF O=C(Nc1ccc(-c2ccc(OC[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)cc2)cn1)c1ccc(CCl)cc1 29046529 KHXIBYDWGCHYPP-PMERELPUSA-N 576.003 5.576 50 1 KKGF O=C(N/N=C/c1cccc2c1ccn2Cc1ccc(OCc2ccccc2)cc1)c1ccc(O)c(Cl)c1 29126288 PLUGRAWJEUZZBB-KCSSXMTESA-N 509.993 6.392 50 1 KKGF CCCOc1c(C(=O)NN=C(c2ccccc2)c2ccccc2)sc(C(=O)NN=C(c2ccccc2)c2ccccc2)c1OCCC 49669865 FSUUMJNVKFLLMB-UHFFFAOYSA-N 644.797 7.691 50 1 KKGF COc1ccccc1CNCCCCCCCCCCCCN(C)CCSSCCN(C)CCCCCCCCCCCCNCc1ccccc1OC 95542111 RJLLHLQUTSFJHZ-UHFFFAOYSA-N 787.322 11.630 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 96283552 IYXNXHLGJVXCTH-HPNXWYHWSA-N 585.680 6.831 50 1 KKGF CC(C)(C)OC(=O)N1C(=O)C2=C[C@@]3(C)OO[C@]2(C[C@@H]1c1ccc(Cl)cc1)O[C@H]3c1ccc([N+](=O)[O-])cc1 96934108 FXFRYWPTFDGJNU-DYCBMTEISA-N 528.945 5.571 50 1 KKGF Cc1cc(OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)cc1Cl 103185692 CFLZLIJXWYUYLO-DHIUTWEWSA-N 587.257 6.299 50 1 KKGF CC(/C=C/[C@@H]1C[C@](O)(CCl)CC(C)(C)O1)=C\C[C@H]1CC[C@@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCN(C3CCCCCC3)CC2)CC1 150539321 DBALQBCCAPMWCQ-AIGPZXFFSA-N 662.356 6.903 50 1 KKGF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\C=C/CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 169364084 ZBKZGKOPNVIOTD-LCNZXFMWSA-N 541.110 5.222 50 1 KKGF CO[C@H]1/C=C\C=C(\C)C(=O)Nc2cc(O)c(NC(=O)c3cccc(CCl)c3)c(c2O)/C=C(\C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 169718271 PRQNPPXXLFHHKT-ZHGFFIMBSA-N 698.213 5.774 50 1 KKGF CC(C)(O)[C@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@H]3CC[C@H]4O[C@@H]([C@]5(C)CC[C@@H](Br)C(C)(C)O5)CC[C@]4(C)O3)O2)O1 203542539 HDXGHOIIDFPNSF-MODPRFTASA-N 587.636 6.229 50 1 KKGF CCCC/C=C\CCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 238773327 MPHZATYEHALXRU-IIUUNOAPSA-N 683.071 11.640 50 1 KKGF CO[P@]1(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(CBr)cc2)C(=O)N(Cc2ccc(CBr)cc2)[C@H]1Cc1ccccc1 299804911 PLPSRTKOASXIOP-SWDPIWGOSA-N 710.447 8.976 50 1 KKGF CCCCOc1ccc(C/C(=N/O)C(=O)NCCSSCCNC(=O)/C(Cc2ccc(OCCCC)cc2)=N/O)cc1 299857557 FMBJPLFHPFIKKN-DENOHBPFSA-N 618.822 5.104 50 1 KKGF COc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](O)[C@H](O)[C@H]1O 586995994 MXXXKKHMLCYIIL-IOHSPMLXSA-N 825.401 7.719 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1cc(/C=C(\C#N)c4cccc(C(F)(F)F)c4)n(C)c1)(c1ccccc1F)[C@@H](C2)C3=O 587424260 YGSNJUPGYXGOHB-NVKVKWIFSA-N 558.531 6.947 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 587549748 RJMRNZRQVVYTJP-WIYYLYMNSA-N 547.245 6.682 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 587684042 JSLUBOMJEMMGMA-SOKVYYICSA-N 527.865 6.198 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 587689884 XORLILWRCWVTRP-LBEFLKDASA-N 531.809 5.341 50 1 KKGF Cc1cc(-c2csc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)c(C)n1-c1ccccc1F 587922715 SUBMZLCKLHKELO-HMAPJEAMSA-N 527.709 8.722 50 1 KKGF COc1ccc2c(c1)[C@@H](c1ccc(N3CC[C@H](CO[Si](C)(C)C(C)(C)C)C3)nc1F)N(C(C)C)CC2 962094074 VUCWDMPXKTUNES-KDYSTLNUSA-N 513.774 6.433 50 1 KKGF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 962640483 WJGGZGDCCUHJQO-APPDUMDISA-N 534.197 5.120 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CI)(CN2C(=O)c3ccccc3C2=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963036329 JDIXDYSRKDTJOD-BIMVPBQRSA-N 734.493 6.152 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2ccc(F)cc2F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963082792 BVAGFZJVNASALI-LRHLLKFHSA-N 580.074 7.751 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CBr)(C2CCC(F)(F)CC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963221469 XXNJIICFXXORHM-UKJJDJLKSA-N 716.488 6.885 50 1 KKGF Cc1cc2nc3c(nc2cc1C)[C@@]1(C(C#N)=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C1[N+](=O)[O-])c1ccccc1-3 1772652228 CGXIOTWPJFYRNX-BHVANESWSA-N 591.675 5.958 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857549066 GQZXSKLMDMYPLA-MRXNPFEDSA-N 558.425 5.434 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)([C@@H]1CCC2(CCCC2)C1)CC[C@H]3O 2356350439 CGLJFDZQEDMIOJ-IDEVJDKISA-N 977.427 11.901 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@]23C=C[C@H]4SSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@@H](C[C@H]4C2)C3)C1 2356350852 KXDOYOLATPZWGK-VUBRSPSSSA-N 559.885 8.732 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5Cc6c(c(OC)cc(c6[C@H]4[C@@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O 2356360597 JNYWHADAMPJTLY-CMUKBZBJSA-N 636.832 7.527 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC6(CCCC6)[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356368644 RDLHNLNMBHJKRQ-QNFYYGTGSA-N 991.454 12.291 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C2CCCC2)Cc2cccc(c2)C1 2356409438 JFIBJRBNUSOFDC-UFTDQOPHSA-N 745.058 6.032 50 1 KKGF CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)C=C[C@@H](CC)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356429912 AINFSGWMKHWUJL-YBMFXMRCSA-N 695.126 13.286 50 1 KKGF C=C1C(=O)O[C@H](C=C(C)CCC=C(C=O)CC(C)=C[C@@H]2OC(=O)C(=C)[C@H]2CCC(C)=O)[C@H]1CCC(C)=O 2356661682 LNBUXSXUGOZNBS-HFLBTKGNSA-N 510.627 5.109 50 1 KKGF CC[C@@H]1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C3CC[C@@H]4CCCC[C@]45C(=O)NC[C@@H]5[C@@H]3C1)O2 2356841347 NHNCWNOXKAHGHB-KWMWPBLTSA-N 960.090 5.209 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSS[C@H]2CCc3cc(O)c(OC)cc3[C@H]2CC(=O)C[C@H]1OC(C)=O 2356845222 OCOYWFYGRFVTGY-UMXIUQEHSA-N 531.740 5.909 50 1 KKGF CCOC(=O)c1cc([N+](=O)[O-])c(COC(=O)Nc2cc3c(c4ccccc24)[C@@H](C(=O)c2cc4cc(OC)c(OC)c(OC)c4[nH]2)CN3CCl)n1C 27636771 UWQLIBMYCQTOHG-NRFANRHFSA-N 720.135 6.502 50 1 KKGF C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 29466897 XADJRNJADYWMBT-WMPKNSHKSA-N 568.808 7.988 50 1 KKGF CC1(C)CC[C@]2(C(=O)Nc3ccccc3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145590 BLLUCPZVQMWQFI-RTNVRIMGSA-N 566.786 7.845 50 1 KKGF O=C(c1ccccc1)c1ccc2[nH]c(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)N/N=C/c3ccccc3)nc2c1 51092403 HJMZQCZQXSFYGK-ZHSUKTGHSA-N 582.274 7.838 50 1 KKGF CC1=C(OC(=O)CCCC[C@H]2CCSS2)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)O)C[C@H]4[C@]3(C)CC[C@@]21C 53295219 XIKILYNHNAGATH-NGTNKGBFSA-N 638.936 9.397 50 1 KKGF CSCCCNC(=O)c1csc(-c2csc(CCNC(=O)CCC(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)n2)n1 84758827 HRUCQIYTCIDMQO-SFHVURJKSA-N 658.271 5.416 50 1 KKGF in-man Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSC2(CCCCC2)c2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(C)C(=O)O[C@@H]1C3 85593942 TZBRZAQFWAYTJE-UEWHTKCSSA-N 730.909 6.769 50 1 KKGF biogenic,in-vitro C[C@H]1O[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I 95550129 DJBHCAQXADHLMR-JBMKPGKBSA-N 742.499 7.544 50 1 KKGF C/C(=C(\CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1)SSCc1ccccc1)N(C=O)CC(=O)OC[C@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)[C@H]1OC(=O)C(O)=C1O 299855348 DRBSSRQDAHYRIF-UCBHFJJBSA-N 876.103 8.904 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056280 ONZMLSJLDLDPIG-JCMHNJIXSA-N 563.489 5.092 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056836 RZZJCYNCAXFYDV-WQRHYEAKSA-N 509.400 7.438 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331965 KPCCXZJVJKDJCY-PXJZQJOASA-N 554.376 6.804 50 1 KKGF C[C@]1([C@@H](Br)Cc2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333841 NLVXHUVYTQYUOF-WMTXJRDZSA-N 507.758 6.448 50 1 KKGF COc1ccc(-c2csc([C@@H](C#N)[C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1OC 587536288 UAEBVBNIDSFNGU-HRFSGMKKSA-N 509.027 5.956 50 1 KKGF CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587542559 HMDSYZSZEFTEIH-DHIFEGFHSA-N 509.989 7.130 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587689507 TWWMXLOHRKUBFC-SRGMZFCMSA-N 572.866 5.056 50 1 KKGF N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@@]12C(=O)c1ccc(Br)c3c(Br)ccc2c13 653701734 YFAGHBJUUNOWSW-HKBQPEDESA-N 671.349 6.244 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1OC 963138885 KWGGCJBXXGJEAL-YMGMXPECSA-N 555.469 5.029 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CBr)c1ccc2ccc3cccc4ccc1c2c34 963636734 RVHRAFBUFSXBBN-SFNQZPIRSA-N 500.436 6.774 50 1 KKGF CNCc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@@H]4[C@@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356353327 MDAPOCUUTCBFAR-QATGGDMRSA-N 761.158 5.409 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C(=O)Cc4cccc(C(N)N)c4)CC[C@@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356370034 LQQRMOFFWIFBDL-YKSVZOBRSA-N 747.080 7.044 50 1 KKGF CCCCC[C@@H]1CC[C@H]([C@]2(C)CC[C@H](O)[C@]34[C@H]2[C@H]2C[C@](C)(C#CC[C@@]5(CCCC[C@H]5CSSC[C@@H](Cc5ccccc5)C[C@@H](C)CC[C@H]3O)C(=O)O2)[C@@]4(O)CCC2=CC(=O)OC2)C1 2356581679 FRRKRZJAVKCRNO-NRKCLKBASA-N 903.345 11.068 50 1 KKGF CN[C@@H]1CSSC[C@](C)(O)C[C@@H]2CC#C[C@@H]3C[C@@H]4c5c(ccc(O)c5OC[C@@H]4C4(CO)CCCC4)[C@@H]3C3(CCNCC3)[C@H](OC(=O)[C@]34CCCC[C@@H]3CCC(=O)N4)C[C@H](OC(C)=O)[C@H]2CC[C@@H]1O 2356678559 KXHXNMOZJIZWEC-SQAIJQRRSA-N 980.344 6.488 50 1 KKGF C[C@H](Cc1ccccc1)[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC2 2356811383 BNYPTGIXXNMTLE-XZNPCETKSA-N 892.241 7.558 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@]23CCC[C@@H]2C=CC2=CNCN23)SSC1 2356829944 JCJUSKHELYBWKH-RIRWDIFVSA-N 646.879 6.566 50 1 KKGF Fc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(F)cc2)cc1 29400651 VGPQRLHQQOMSDY-UHFFFAOYSA-N 566.872 6.526 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72176048 RRSCKPNDRIGFDL-ULIFNZDWSA-N 595.334 7.905 50 1 KKGF C/N=C1\NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/[C@H](C(C)C)Cc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOC)C3)c2)N1 85596929 KYTSJXIJXUBRGZ-CJTUFLPASA-N 769.087 7.589 50 1 KKGF biogenic,in-vitro O=C(N/N=C1/S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 103291112 KDRXFTGKQHVMGQ-FQRAWKQESA-N 594.071 7.154 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccccc2O)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586944 BVGVNHKJQROPOL-UZNNEEJFSA-N 746.876 9.190 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN[C@@H]3CCN(c4c(F)cc5c(=O)c(C(=O)O)cn(C6CC6)c5c4Cl)C3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312604 UJJREGBVVHFIQS-GQIINYRZSA-N 676.182 5.220 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NCC(C)(C)C)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169364075 TUUIERXRIHXLAK-OKJGQWSESA-N 689.931 7.046 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc(SC)cc3)c2)n1 299860650 GXSDLXKBKLYVBH-HAVVHWLPSA-N 642.185 6.694 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531120 IMGAPMIPTFMWMR-MGBGTMOVSA-N 518.637 7.264 50 1 KKGF CC[C@H](Cl)CCn1cc([C@@]2(C3C(C)(C)C3(C)C)c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N2C(C)=O)c2ccccc21 961956010 XJEROVXOZUYIAK-CMNQXLSDSA-N 697.320 6.666 50 1 KKGF COc1cccc(NC(=O)[C@@H](Cl)[C@@]2(c3ccccc3)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1 962626433 JNDIJBCGISDKPB-PYYUSEHKSA-N 593.076 5.634 50 1 KKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 962949786 QVBPTVCHNJXBRP-MPHOGZCYSA-N 506.238 5.337 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)cc1 962961900 XDKFVAQAUPQJSQ-XHCCPWGMSA-N 537.453 7.289 50 1 KKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@]1(C2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963005537 AWAXQNATLKWVJW-CNUMSPIESA-N 555.900 6.390 50 1 KKGF Cc1cc([C@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1C 963069731 AXDAMCIOJMNLRT-PILPWRDFSA-N 741.177 8.081 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccccc1OC)([C@H](Br)C(=O)c1ccccc1OC)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963731324 OUQGZDPBAQWWLA-ZEEKBPLESA-N 697.582 6.360 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](c2ccc(C)cc2)([C@@H](Br)C(=O)c2ccc(C)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948926 ZOMPPMQPAGLAPW-GCLMGQFOSA-N 790.846 7.330 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](CI)C4=C(CC[C@H](O)C4)[C@@H]3CC[C@@]12C 1857536000 QJHZPCLORSPENH-WRHVILIGSA-N 512.560 7.804 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCCCC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857601773 WWXFNGSLDXZOQT-ATZIDVHASA-N 600.841 5.580 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356451600 LDBVZEVQQMRLJX-QWRGPJMGSA-N 990.298 8.510 50 1 KKGF CC=C(C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C(C=O)[C@@]3(O)CC(=O)C(C)=C[C@H]3C(=O)O1)O2 2356457033 ASQRSYUZMDSTKU-LNDBABPUSA-N 566.735 5.879 50 1 KKGF COC(=O)CCCCCCC[C@H](O[Si](C)(C)C)[C@@H](CC=CCCCCCO[Si](C)(C)C)O[Si](C)(C)C 2356661965 WIZYORSJSLAYHG-SXOMAYOGSA-N 561.041 8.689 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@H]2CSS[C@@H](CCO)[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356770042 VIOJPXDLVGWXPW-ILKCSDEVSA-N 725.926 6.914 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCCCC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145557 MMUDVQAASAQWRJ-RTESTROVSA-N 558.807 7.218 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCS(=O)(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 49771998 JSQFVBNTUYNWJV-CIQAQWQYSA-N 654.863 5.682 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(Br)o2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 150535483 UXDUVXYQKPADPT-AUWNHGQCSA-N 642.370 6.203 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](CCNC(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169302711 QDNYGRJDRIMPOK-AMBJBSEKSA-N 633.823 5.774 50 1 KKGF Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1O[C@@H](C(C)C)OC2 210373095 DDYAACXWCNUPAR-GGCSAXROSA-N 743.868 9.269 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCC[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253691669 VFLZQZBJXDIHSH-JIWAXQGASA-N 899.084 8.253 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299831789 RWPJHYYGAGYJMG-KERKYAMZSA-N 846.465 6.345 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587057065 TWFLIUMPVSAITJ-XDHOZWIPSA-N 530.419 6.401 50 1 KKGF FC(F)(F)c1cc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(C(F)(F)F)c1 587110468 YHSFTVBXUAHGIT-UHFFFAOYSA-N 549.203 8.611 50 1 KKGF C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200592 JYOIRCPQMIIACI-UKPGIYTDSA-N 643.678 9.748 50 1 KKGF N#C[C@H](c1nc(-c2ccccc2)cs1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587371364 CEHORWOFERZUGL-QURRFSBHSA-N 504.970 6.299 50 1 KKGF COc1cc2c3c(c1)O[C@](CBr)(c1scc(Br)c1Br)[C@@H](C2)C3=O 587454170 WNYBXSNJPBORLU-FVMDXXJSSA-N 523.040 5.320 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H]3[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]2[C@@H]3[C@]1(Cl)C4(Cl)Cl 587460040 LBTRJUNWDLYPKN-CINDQIBKSA-N 557.128 6.302 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1C(F)(F)F 587551184 YFLOOROKFGOONG-GHTZIAJQSA-N 558.144 6.426 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587605448 CQAQHKCVRANGHF-JUKUECOXSA-N 558.614 7.087 50 1 KKGF CCCCC1(COc2ccc(O)n2-c2ccnc(CCl)n2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O 587939031 AWDITFGUJOLLFU-UHFFFAOYSA-N 546.027 5.262 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(C)n(-c3ccccn3)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668709 CVWUGIKENBQMHJ-SSEXGKCCSA-N 584.038 6.706 50 1 KKGF COc1ccc([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 963019439 OVGIOWVAVYKAFB-CUNXSJBXSA-N 598.837 5.528 50 1 KKGF COc1ccc2cc([C@]3(CCl)N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)ccc2c1Cl 963177610 OHRLGTOEXAHTIQ-AOMKIAJQSA-N 518.746 6.255 50 1 KKGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CCCCCCCl)(c2cccc(I)c2)N1 963226302 LJBFRTXSOASFNQ-ILBGXUMGSA-N 548.852 5.871 50 1 KKGF CCOC(C)(C)/C=C(\C#N)C(=O)[C@H]1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 1772587887 BKURGSFMXJOOSC-NKQZFDIBSA-N 568.653 6.572 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857551027 LSHAPJSSPZYCNJ-MRXNPFEDSA-N 529.427 5.406 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)c2c(c1O)Cc1cccc(c1)[C@H]1NCCC[C@@H]1SSC2 2356299604 FRZKNIMAHBPKKP-FWQJPWOZSA-N 992.316 10.986 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C[C@@H](C6CCCCC6)C[C@@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356401229 XQPPHSJZWNGHCO-APRJWAONSA-N 953.240 8.614 50 1 KKGF CCCCCC[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356479457 QOZINMHYBYKTIY-CXCWDUIOSA-N 533.848 6.079 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 2356524098 QEWHVEXDBGVRDF-POXXCOANSA-N 977.388 10.619 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356775165 IQHCIWLSMGZPFG-VSWLQFCSSA-N 597.887 6.605 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1O[C@@]12OC(C)(C)[C@@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356806244 AFSNOWARPBBBDX-HUXRQEAXSA-N 525.823 5.041 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(C[C@H](CO)CCCO)CC7)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356809736 ASNVWRXYIPEKKH-QKWHAJPRSA-N 968.292 8.014 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356826843 HKSMCUJWMDONAI-YOILCNSWSA-N 967.308 7.994 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@@H](O)C1 2356830568 JJQOIXZVHDLFAQ-VFPXMMCZSA-N 885.121 6.088 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2(N3C=CNC3)CCCCC2)SSC1 2356836925 LFBVODAXMMQZDU-JPQMRUPTSA-N 636.884 6.790 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356868760 DESMCVDOWIERHG-DCQNFHFPSA-N 700.903 6.242 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1C1=CCN=C1 2356871135 XXUTZIWBIJMVNS-YSGTYJGCSA-N 854.036 6.408 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C3C#CCC4CCC5(CC4)C(=O)NC[C@@H]5[C@H]3C1)O2 2356873659 YHPFIMDISIXRFV-MPKAPWKCSA-N 970.085 5.206 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNC7=CC(=CCN7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356874681 YYCRSMFCPXCHJB-JORLZNPMSA-N 705.987 6.894 50 1 KKGF CC1(C)OC(=O)c2cc(C(=CCCBr)c3cc(Cl)c4c(c3)C(=O)OC(C)(C)O4)cc(Cl)c2O1 1858695 XJMUIRCKKLBSBS-UHFFFAOYSA-N 556.236 6.781 50 1 KKGF CCCCN(CCCC)C(=O)c1ccccc1SSc1ccccc1C(=O)N(CCCC)CCCC 29466907 ZOVINWYSGLHMNO-UHFFFAOYSA-N 528.828 8.571 50 1 KKGF CC1(C)CC[C@]2(C(=O)Nc3ccccc3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145591 BLLUCPZVQMWQFI-QGQQBCCHSA-N 566.786 7.845 50 1 KKGF CN(C)c1ccc(-c2nc3cc(/C=C/C4=C(C#N)C(=C(C#N)C#N)OC4(C)C)ccc3s2)c2ccccc12 43207531 ZKWJCLXASOALQR-FMIVXFBMSA-N 513.626 7.126 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCSC[C@H](NC(C)=O)C(=O)CCl 43397154 CGVLOFHWIYTHJY-MHZLTWQESA-N 504.265 8.854 50 1 KKGF C[C@]12CCSS[C@@H]3CC[C@H](c4ccccc4)[C@H]4CNC(N)=N[C@]43CCCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549333 CTPWPCXVZBRUFH-KJJCXIAVSA-N 623.929 5.844 50 1 KKGF biogenic,in-vitro COc1cc([N+](=O)[O-])ccc1COC(=O)Nc1ccc(COC(=O)Nc2cc3c(c4ccccc24)[C@H](CCl)CN3C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1 95542044 SXKBULZQBLZEFT-AREMUKBSSA-N 824.243 8.744 50 1 KKGF Cn1nc(C(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)nn1C 95551074 NVDGQLMNXXSKEI-BGYRXZFFSA-N 737.652 6.234 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 95606645 XXYWFFFNGNMCNB-HHSBBHAESA-N 816.166 7.725 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C=C(C)N(c2cc(Cl)ccc2Cl)C(N)=C1C#N 103950524 ZLWGPCKBGZSFMI-KRWDZBQOSA-N 534.249 6.819 50 1 KKGF CCCCCCC[C@@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 210377559 GFZDALHKLWYTHW-OIVUAWODSA-N 799.976 10.974 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 253918604 WLFYCMTVIXROHE-OUSYDVBMSA-N 575.230 7.681 50 1 KKGF CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@@H]3C(=O)O[C@H](/C(C)=C\[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@H]2OC 299820307 KASDHRXLYQOAKZ-DRCZZSJQSA-N 810.466 5.719 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 299827867 PZIBOPQOMMNWBQ-LALXJTNGSA-N 640.634 5.988 50 1 KKGF Cl[P@@]12=N[P@@]34=N[P@](Cl)(=NP(N5CCC6(CC5)OCCO6)(N5CCC6(CC5)OCCO6)=N1)Oc1ccccc1CN3CCN4Cc1ccccc1O2 473234886 FKHHTYRHHHDLIZ-KMJBCNTFSA-N 803.502 8.743 50 1 KKGF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586973439 OKFBPKOVWJOQNM-MRXNPFEDSA-N 530.382 7.093 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 587328811 VTUOIPMCXKDNPF-XTEPFMGCSA-N 510.392 7.085 50 1 KKGF O=C1c2ccc(O)cc2O[C@](C(Br)Br)(C(F)(F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 587329812 MBYAJKYGCIEADQ-CZUORRHYSA-N 548.071 5.943 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587332984 UKDMAPHDBCLZGW-IFMALSPDSA-N 513.256 6.339 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 587672829 IJHOMVJPLNAVDU-KUNJGFBQSA-N 537.270 7.658 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587685671 ARWYBDPZTMPFDR-FVIJCFCBSA-N 510.278 7.054 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3CC[C@H]4[C@@H]5C[C@H]6OC(C)(C)O[C@@]6(C(=O)CCl)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 587715387 HONSAAPSFPPSQH-UDQWWKEYSA-N 669.047 6.652 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 587940790 PNMFUPMWQPNOOK-NEXFXOQTSA-N 813.386 5.216 50 1 KKGF CN(Cc1ccccc1)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 653729588 MIXRXKLWUPSAJF-IYOYZZHUSA-N 539.035 5.489 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]1(CCl)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 961950102 LIYGCAIESVVLOA-ALKXEMMNSA-N 705.586 5.580 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CCl)(C(Cl)Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 962566003 DOVJQBLCEMSTID-RLWLMLJZSA-N 531.823 5.580 50 1 KKGF COc1cccc([C@@H]2C(C#N)=C(C)NC3=C2[C@@]2(CC(C)(C)C3)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c1 962633338 LVPLJGLCPQMLIR-ZBAJWAEMSA-N 553.581 5.647 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1OC 963138873 KWGGCJBXXGJEAL-JYRCXFKTSA-N 555.469 5.029 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCCCCCCl)(c2cccc(OC(F)(F)F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938491 NJMJRSYMGFCLSF-QFHDWBHXSA-N 768.364 8.155 50 1 KKGF COc1cc2nc(Nc3ccc(C#N)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857561805 QHUTWTQVWQWDHJ-ONEGZZNKSA-N 517.376 6.271 50 1 KKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C[C@@H](CCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 1857587628 XSJLCRYWNKAUOD-PWLALRTASA-N 818.156 11.829 50 1 KKGF C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](OC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)C=CC(=O)O1 1857762826 JPQVUQUOYSKBKT-SITCREHQSA-N 566.566 5.820 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@@H](O)CSS2)c1ccc(NC[C@@H](C)O)c(CO)c1 2356365565 OBZIPZOCXGFAGG-ILAJTTQXSA-N 762.991 7.004 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C2CCCCC2)Cc2cccc(c2)C1 2356367765 DRXFNYMIVPIAHR-WRNXGARVSA-N 759.085 6.422 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 2356620453 STTUJEJVPBLZIR-IOZQRMBESA-N 614.864 5.518 50 1 KKGF COC(=O)[C@H](CC=CC(C)(C)OO)[C@@H]1[C@H](O)C[C@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 2356638874 UXDZXRKJSZVQHR-JCBZSADSSA-N 516.719 6.135 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@H]([C@@](C)(O)C1CCCCC1)C4 2356696012 FVAIFZCZWYTMRY-RABXLNGASA-N 769.888 5.146 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C[C@H]1CC2(CC(=O)O1)SCCCS2)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356700908 LIZAXEADJBBAQL-WLTNIFSVSA-N 893.558 16.536 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@H](CCOC4CCCC4)C3)c2)N1 2356729121 HWFGSQIFWMURID-ITNDVVJSSA-N 781.098 8.020 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356776614 WCEQYINLAOXKLZ-LCIRZYFQSA-N 885.240 7.213 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)O[C@H](C(N)=O)C(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1C1=CCN=C1 2356859550 SVWBMFWKXUKIOH-SADMCBEQSA-N 897.061 5.262 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4NC5=C6C7=C(CN5)[C@H]5C[C@@H]8C[C@@]9(CO)O[C@@H](O3)[C@H](O)[C@@](O)([C@@H]9O)[C@H]8[C@]73[C@H](CC[C@H]3c3cccc4c36)C5)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356870319 XPZXRTLVUAPFBB-XLJGWQAVSA-N 927.110 5.523 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)CC5=CN[C](N)C=C5[C@@H]2[C@@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]43 2356875195 OGXIZZLKAZKGBU-AKZRKLNESA-N 728.913 5.018 50 1 KKGF C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 42876044 FYFWICJSTUAUII-KYJUHHDHSA-N 534.649 7.520 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CCCCC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)NN)[C@@]12C 44093617 GTTVVAAORLOLBC-YSSIKYIBSA-N 576.775 5.860 50 1 KKGF CC(C)Cc1cccc([C@H]2CC[C@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37N=C(N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@@H](CO)C5)c1 85549281 PPXZJLMENKGELZ-BBDFXRKFSA-N 680.037 7.042 50 1 KKGF biogenic,in-vitro CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@H]3SC[C@@H]4NC(=O)N[C@@H]43)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 95606643 XXYWFFFNGNMCNB-MUZUEXLZSA-N 816.166 7.725 50 1 KKGF N#Cc1c(-c2ccc(Cl)cc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933460 XSLUWYIHOGVUOP-LOSJGSFVSA-N 526.383 6.218 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4cccc(O)c4)C(=O)N3c3ccccc3)s2)cc1 103194406 USRBOSJESKJNOK-MAGWUSJRSA-N 585.667 5.240 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 150349796 ORHZGHHKTJCOFM-VMHIZVBFSA-N 919.199 8.272 50 1 KKGF biogenic,in-vitro CC(=O)N[C@@H](Cc1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 150594497 ZPMFWKTYEZCACZ-TTZULZMZSA-N 789.267 6.858 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 169355519 UXWIVRBMVBCLQU-BKYGHXEMSA-N 552.752 6.969 50 1 KKGF CC(C)(C)[Si](Oc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCC/C=C/CO2)(c1ccccc1)c1ccccc1 170095609 UKKKBHAEFILWEP-IZZDOVSWSA-N 591.744 5.649 50 1 KKGF O=C1[C@H]2C[C@@H](SS[C@@H]3C[C@@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@H]3Cl)[C@@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl 263593316 BCRRQTMYMQMOAZ-SJVLTBHDSA-N 833.172 8.276 50 1 KKGF CCC(=O)O[C@@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1)C(C)C 586921691 UDXLQGHNRRKIFC-WYQJDRHDSA-N 693.826 6.889 50 1 KKGF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587011842 OBNYGGVIQSKDPK-UHFFFAOYSA-N 510.351 8.006 50 1 KKGF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587192641 YDDBUXUDQQWSEM-QGZVFWFLSA-N 542.368 7.939 50 1 KKGF CC1=C([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 587713488 DCUYIRPSTDOMCL-UKGPAXPHSA-N 606.979 6.854 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 587723415 WRVUMZPEVNCECK-VVVCHXIZSA-N 515.114 5.799 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc2c(c1)C(CCCCCCBr)(CCCCCCBr)c1cc(Br)ccc1-2 587898826 RPGLFAUUXZJBFS-UHFFFAOYSA-N 735.826 11.468 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)c2C)cc1 962958926 PAOVHPMEXSQYJO-LJAQVGFWSA-N 547.061 6.509 50 1 KKGF CCOc1ccc(-c2[nH]c3ccccc3c2[C@]2(CCl)c3ccccc3CCN2C(=O)COc2cc(Cl)c(C=O)cc2OCC)cc1 962988068 FHASCIJSRGRSFU-QNGWXLTQSA-N 657.594 8.044 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccccc1)[C@@]1(CCC2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963098425 PYMXKSVXNIUEKV-LLIFGLRNSA-N 655.798 8.131 50 1 KKGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 963226117 KIGIKEYZGIJUPD-OXQOHEQNSA-N 528.603 5.027 50 1 KKGF Cc1cccc2c1[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905533 YEVQQFZVWQEUSV-SLGOVJDISA-N 674.963 6.950 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 1857547105 REDUTJVDNZYVPL-CKGBFGRYSA-N 971.034 8.136 50 1 KKGF CCCCC[C@H](C)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356291721 CADSCMIZGOKBFB-UGPANBCDSA-N 916.263 10.373 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(CC1)C4 2356299377 BFEDPGQBBIBQIW-UOMKVOEQSA-N 890.181 8.319 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C3CCCCC3)[C@H]21 2356349564 HVFSMHSJNQCERU-PVKBLIGTSA-N 950.410 8.723 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@H](O)CC[C@]4(C)[C@@H]5CCC[C@@H]5N5CC#CO[C@@]2(CCC2=CC(=O)OC2)[C@@]2(C)C#CC[C@@]6(C[C@H](Cc7ccccc7)CC[C@H]6CSSC[C@H](Cc6ccccc6)C1)C(=O)O[C@@](C2)(N5)[C@@H]34 2356364780 YNFURLHUBWKBPM-HQKBIIGLSA-N 987.382 9.855 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@H](OCNCCCCO)CC(=O)CC2 2356389794 HOCYRXZLDCGFAN-UIOOFZCWSA-N 615.814 5.559 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@](C)(O)[C@H]3CC[C@@](C)(O3)[C@H](Cl)CCC(C)=C[C@H]12 2356411396 OAZCZMDHKJUCJE-KWTZDKCVSA-N 719.400 7.492 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@H](CC(C)C)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356523563 WMHXPBMRJVFXFN-OUDFXPNXSA-N 834.107 5.315 50 1 KKGF C[C@H]1CSSC[C@H]2C[C@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)C[C@@H]([C@@]1(C)C=CC[C@@H](C)C1)C2 2356616618 ZUTGYYMJMBNNFI-BDZXKOPVSA-N 535.863 8.424 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@H]1C)N43 2356834830 KEZPOUNBQQNOIQ-GNJQWWTNSA-N 623.881 6.868 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4C[C@@H](NC[C@@H](C)O)C[C@](CC)(C#C[C@@H]3C=C12)C1(CCCC1)C4 2356866856 WIAHONLAPRPQTP-QYJULILESA-N 957.357 6.844 50 1 KKGF CN(C)C(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145610 YPQNGKZSKASBRT-AEJPQZKHSA-N 518.742 6.294 50 1 KKGF COc1cccc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@@H](O)c2cccc(OC)c2)c1 43409265 OXKQKYITRRTXSI-KKLWWLSJSA-N 650.996 5.331 50 1 KKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1ccc(C(F)(F)F)cc1)OO2 64448999 UMLXKOBGOFPJAW-DYTPLTOFSA-N 507.552 7.593 50 1 KKGF CCOc1cc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)O 70454856 VBJGTPSNFOGRFY-FDVSRXAVSA-N 530.606 5.488 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)=N/O)/C(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)=N/O 95578653 GJUOUSUHDWLGDR-MNQMGTDHSA-N 764.930 6.867 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)Sc2ccccc2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 95603610 MJUUXZTUBAWWBX-VXAIJJTMSA-N 581.819 6.870 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4F)cc3F)ccnc2cc1OCCCN1CCCCC1 96283545 XHBKQWXDUHRNOS-HASSKWOGSA-N 607.633 6.863 50 1 KKGF N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@@H]1c1ccc(Cl)cc1 103174444 BXJPDPVRBAFCNV-YCDBXGQUSA-N 514.810 7.039 50 1 KKGF CN(C)c1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 150588047 MBARHZREGNNHPN-QZCRLSDHSA-N 773.946 9.551 50 1 KKGF COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@H]([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 195268999 WBVPSAGIFSGFEV-QJNXXBLXSA-N 984.350 5.373 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 195503698 UGRGSIHNBMMWHX-BXXPORAJSA-N 744.160 5.384 50 1 KKGF C=C(/C=C/C=C(/CCC=C(C)C)COC(C)=O)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 238773501 KPFIRSWIEJGVNZ-MUASDKFRSA-N 528.730 5.541 50 1 KKGF COc1cc([C@H]2[C@H](C(=O)O[Si](C)(C)C)[C@H](c3ccc(O[Si](C)(C)C)c(OC)c3)[C@H]2C(=O)O[Si](C)(C)C)ccc1O[Si](C)(C)C 238779629 QWBLGDARZQUVPF-LPOKLPNDSA-N 677.104 8.001 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3O)sc2c1 299830032 LTPCDICQVYDOOP-WKULSOCRSA-N 538.073 6.232 50 1 KKGF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586949203 VCFLGZDWLWGIPO-UHFFFAOYSA-N 534.488 6.905 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057126 UIDBYBRWFLOSQK-AUWJEWJLSA-N 520.645 7.757 50 1 KKGF O=C(N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 587220971 HHUUGVKSCNFXAU-FQLXRVMXSA-N 780.614 7.864 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(Br)c1 587557156 LZJXHJRDSFBAOR-RXVVDRJESA-N 508.137 5.546 50 1 KKGF COc1ccc(Br)cc1[C@@]1(CBr)N[C@@H](C)Cc2cc(Br)c(F)cc21 587673074 JXLHSNVTNCYTHC-YPMLDQLKSA-N 522.050 5.532 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 587723115 VGLGWWYBJKCMHO-WNWIJWBNSA-N 500.008 6.207 50 1 KKGF COc1ccc(C(OC[C@@H]2O[C@@H](n3cnc4c(O)nc(NC(=O)C(C)C)nc43)C[C@H]2Oc2ccc(O)n2-c2ccnc(CCl)n2)(c2ccccc2)c2ccc(OC)cc2)cc1 587941921 YYXQFKOPUJXIJF-YDAVQLKISA-N 847.329 6.913 50 1 KKGF CCCCC[C@H](C(=O)NCc1c(F)c(F)cc(F)c1F)n1cc([C@@](CC)(NC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)C2CCCC2)nn1 621431820 OZHYYLXHOPUFPH-LEGBSPMESA-N 946.097 7.920 50 1 KKGF Cc1onc(-c2ccc(Br)cc2)c1[C@@]1(CBr)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961751632 SIBJLLCGVPUFLW-MUUNZHRXSA-N 617.382 7.202 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@H](CCCCCCBr)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963090074 SIUHJVYRVXNGQR-SAIUNTKASA-N 582.582 8.377 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCCCCCl)(c2ccc(F)cc2)N1 963157901 AJVBQDFMEIHDJF-YFXFWNCGSA-N 648.222 8.149 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCl)(c2ccccc2C(F)(F)F)N1 963192034 XVYKKSLOUSEKGM-QUCCMNQESA-N 514.293 6.629 50 1 KKGF COC(=O)c1c([C@]2(CCl)c3c(ccc(OC)c3OC)CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c(C)n(C(C)C)c1C 963733615 WXUNSTJIIWSTAS-MGBGTMOVSA-N 606.119 5.721 50 1 KKGF COc1ccc2nc3c(cc2c1)C[C@@]1(C)[C@@H](CC[C@]2(C)[C@@H]1CC=C1[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C(=O)NNC(=O)c4ccccc4)CC[C@]12C)C3(C)C 1772594130 JXGRWGZOFYYUBZ-FDWMOYDUSA-N 687.969 9.376 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCN(C(=O)OC(C)(C)C)CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857535653 WRVCEHCHTWSFSH-PFSSOWKASA-N 701.946 5.647 50 1 KKGF N=c1[nH]ccc2c1CSSC[C@H](CO)[C@H](O)[C@H](Oc1cc3c(cc1O)CCC1=C[C@@H]4C#C[C@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C[C@@H]13)C[C@@H]2Cc1ccc[nH]1 2356291084 JVWBMVMUHWKKSG-KYYLMMSTSA-N 790.061 5.446 50 1 KKGF CCCCCCCC(Cl)(Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1 2356334710 LWFZKXMCJDHBNJ-GEJPUOBDSA-N 696.237 9.528 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)NCCCC)[C@H]12 2356339516 ONVBEKYLAHOXOC-JGUREVLQSA-N 537.785 6.955 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c3c(c2)O[C@@]2(CNC)C[C@@H](CC#CO3)[C@@H](C[C@@H](O)OC)C2)N1 2356351160 REJWRJNKTWEXOI-GETVJQRZSA-N 779.038 6.289 50 1 KKGF C=C1C=CC=C([C@@H]2C[C@@H]3CCC[C@]4(O)CCC(=C(C)C=O)[C@H](CCCO)[C@@]34[C@@H]2O)COCC#CCC(C)=CCC1 2356351296 UPJQANFHDWEHKL-KNVGXONKSA-N 548.764 5.772 50 1 KKGF CCCCC[C@@H]1C[C@]2(CC[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OCO)c3)[C@H](O)C[C@H](OCO)CC4)C2)C[C@@H]1NC[C@@H](C)O 2356360251 BHAMFRRLKWMUDE-LNAPXALHSA-N 868.165 5.739 50 1 KKGF CC1(C)O[C@@]2(CC[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)CN1C(=O)CI 2356734851 AHMCITDLGPUKFA-CIPHDHMHSA-N 525.471 5.287 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356776163 QXZHAOLQVVEYKP-UVNSEGONSA-N 847.058 5.938 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C)CSSCNC3=CC(=CCN3)C23CCCC3)CCCC1 2356816953 DFRSNKGURACAPS-LDNXODBLSA-N 686.984 8.767 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)CSSC1 2356824114 GSLFXGXLLPWPKM-GUDGPEQWSA-N 514.713 5.090 50 1 KKGF Clc1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc(Cl)c2)c1 26672906 FBTGFLQZFQQAET-UHFFFAOYSA-N 599.782 7.554 50 1 KKGF CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O 27193403 QSTLBDGXZMQUDS-XTWAISQYSA-N 733.730 6.105 50 1 KKGF COc1cc(CC/C=C(\C=O)Cc2cc(OC)c3oc(-c4ccc5c(c4)OCO5)cc3c2)cc2cc(-c3ccc4c(c3)OCO4)oc12 72122154 VPEHJSAXUDFHAY-FPQMYIDKSA-N 630.649 8.288 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(Cl)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 96933844 SNWVFXXPJFVDOI-HURDLCFYSA-N 505.058 6.745 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 150348710 QEOACWIESFHLCB-DEIUMHRDSA-N 795.085 6.118 50 1 KKGF biogenic,in-vitro 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](OC(=O)[C@H](OC(=O)OCCl)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 169296578 LHGUMNJPNCIESN-RCMVAUCVSA-N 946.399 5.093 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169356757 ORSKCTIDJPPMJJ-SHDZUUBZSA-N 898.538 6.320 50 1 KKGF C[Si](C)(C)Oc1cc(Cc2cc(O[Si](C)(C)C)c(O[Si](C)(C)C)c(Br)c2Br)c(Br)c(Br)c1O[Si](C)(C)C 238749591 HYENWESTCCXXSY-UHFFFAOYSA-N 836.551 11.182 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 254077166 LWPHQIZHZGFZCD-KUAPUMLESA-N 543.410 6.305 50 1 KKGF CCC(=O)O[C@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1)C(C)C 586921687 UDXLQGHNRRKIFC-BSDCUUKPSA-N 693.826 6.889 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)CC[C@@H]1O[C@]3(CC[C@H](C)[C@H]([C@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](OC)[C@H](OC(=O)C[C@@H](O)C4=C(C)C(=O)OC4=O)C(C)C)O3)CC[C@H]1C)CC2=O 587487143 YUDHGVVSLHFCBK-FHNWGGQNSA-N 943.181 7.279 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccc(F)cc1 587737429 XMYZXZMXUQYHPR-XRZBTXQXSA-N 508.838 5.972 50 1 KKGF CCCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)OCC[C@@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)CCCCC2)nn1 621431830 PGNMARIWMRNWRY-XRDIRXRKSA-N 919.027 7.616 50 1 KKGF CCCCS(=O)(=O)NNC(=O)/C(CCC=C(C)C)=C1\[C@@H](OC(C)=O)C[C@@]2(C)[C@H]1C[C@@H](O)[C@H]1[C@@]3(C)CC[C@@H](O)[C@@H](C)[C@@H]3CC[C@@]12C 653724990 CYJLKQCUWNBSRS-GUVTZDDHSA-N 650.923 5.332 50 1 KKGF COc1c([N+](=O)[O-])cc(F)cc1[C@]1(CBr)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961746361 CXPWMLSADUBARD-VWLOTQADSA-N 550.425 5.532 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](C(Br)Br)(C(F)(F)F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963084570 FCTCHPVOXBCUKH-YZNIXAGQSA-N 659.340 7.864 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963180480 NFKQDAGXHWJVGI-QDSKXPNFSA-N 563.831 5.973 50 1 KKGF O=C1c2ccccc2[C@@]2(c3cc(CCl)ccc31)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963213853 IDBAKCSZTMDWMK-NXVGIJDASA-N 732.101 7.044 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3cccc(C#N)c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857571098 CDIXNBNXIOKDNW-ZEMGRHTNSA-N 607.479 5.274 50 1 KKGF CN(C)C(=O)c1cc2c[nH]c(=Nc3ccc(CNC(=O)CCCCCCCN=C=S)cc3)nc2n1C1CCCC1 1857581206 XAMCJXVYXNOSSQ-UHFFFAOYSA-N 561.756 5.473 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCc3cn(-c4ccc5c(C(F)(F)F)cc(=O)oc5c4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857758676 HTSSPNDLNXUYOI-NZVIUALKSA-N 591.583 5.160 50 1 KKGF Cc1[nH]c2ccccc2c1[C@H]1C(C#N)=C(N)Oc2c1cc(/C=C/C(=O)c1ccc(Cl)cc1)cc2C(C)(C)C 1857760080 KTNUFEBNPYKYKI-XWIHLEKXSA-N 522.048 7.542 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccccc4Cl)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccccc4Cl)cc23)cc1 1857760670 CUXBQNQREDULAJ-UHFFFAOYSA-N 791.790 8.707 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)CSSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356301325 VJVZGOPPRWGPOC-REUPSFKGSA-N 866.159 9.321 50 1 KKGF C=C(C=CC=C(COC1(O)CCCC1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356351930 IBANCOZCIYDINR-OYNZIQSFSA-N 857.186 6.577 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@H]43 2356414483 XLLSOMQHTJKUJM-UESCUZLESA-N 772.990 5.096 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@H]3O)C=C[C@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356464627 QIAVPOYGBUSCFA-AKXLKWIESA-N 873.058 9.571 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SSCNc3cc(ccn3)C2)CCCC1 2356485914 YDIDXBMHTPRVGZ-NQSJXCCJSA-N 714.994 9.175 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](Cc4cc[nH]c(=N)c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c1ccccc1)c1ccccc1 28218459 GDAPOSVBSIEQNR-ACHIHNKUSA-N 590.944 5.314 50 1 KKGF CCCN(CCC)c1ccc(/C=C/c2sc3ccccc3[n+]2CCCCI)cc1 36381211 JGEBBTDMGMEOOQ-UHFFFAOYSA-N 519.516 7.201 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 44418984 PPTRYJFBJYZPSW-NVXWUHKLSA-N 514.423 5.003 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)NC)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 58538356 FVSZHJDGDCSMIS-ULAGWNPCSA-N 603.841 7.252 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597353 HHEXAWRFKHJOOH-QWQUTFOFSA-N 773.030 8.993 50 1 KKGF biogenic,in-vitro CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(C)cc1-2 101394191 SMZQWFRETNBBGR-OZMIJRPQSA-N 552.251 6.778 50 1 KKGF C=C(/C=C/C=C(/COC(C)=O)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)CCC=C(C)C 136254651 PCXCPWDHJKSSOL-FYWQJHIMSA-N 528.730 5.541 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348697 HCBUFFYTWAZLRV-ALSNKSBJSA-N 955.345 9.209 50 1 KKGF biogenic,in-vitro CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@@H](C)CCC(=O)OC)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 150532466 UTKPRIKDCHAYJZ-ZDPFTKDRSA-N 662.861 7.221 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169313912 NYZKUKCTBCLVRV-TZBDXOOFSA-N 566.842 10.004 50 1 KKGF C[C@@H]1[C@H](CC(C[C@H]2O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 169615577 CRSJHIRCVZDTHB-RVZJUICYSA-N 832.066 7.556 50 1 KKGF CCCCC[C@@H](/C=C/[C@@H]1[C@@H]([C@@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC 195498947 TXNZEFWXAGSEPE-MAOVNTENSA-N 586.883 6.209 50 1 KKGF C[C@@H]1CC[C@H]2C(CN3CCCC[C@H]3[C@H](O)c3cc(C(F)(F)F)nc4c(C(F)(F)F)cccc34)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473097150 DBVXLZYMRJVSHV-KRZXHMLWSA-N 710.634 8.223 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(Br)c2F)[C@H]1c1ccc(F)cc1 587330291 GQWPKMXYEAHQPQ-SIKLNZKXSA-N 524.155 6.082 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619880 VIENFHSIUPGOAI-JTSJOTPCSA-N 576.070 6.424 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 587673812 QFZFHNVGADMNQX-HWRSSNJWSA-N 541.343 7.062 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 587708349 BHRNKXPYBDPWOP-BLTYZCFWSA-N 533.930 5.631 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 587721419 VGPDNUGPPHLJSQ-CQLKUDPESA-N 544.459 6.316 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)O[C@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)c2ncccc2c1 621430813 OXASSEYSFHTAIZ-ZUOORDDTSA-N 565.711 6.320 50 1 KKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)cc3)c2C)cc(OC)c1O 653745043 SWHKUVYKYAPNPD-VVEOGCPPSA-N 559.837 6.295 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c(C)c1C 962475553 OFXXWRHTGPQBBM-FHPVIJFVSA-N 581.112 7.058 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962641023 MXTCNNYJVUZBKY-UCGGBYDDSA-N 633.961 6.752 50 1 KKGF C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)s1 962961069 SHMKVLKTYVFHBX-IIBYNOLFSA-N 512.714 6.986 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl)c1[nH]c2ccccc2c1C[C@@H]([C@@H](O)CC(=O)O)N5C(=O)OC(C)(C)C 963072008 YPERBYKKHBOMDD-SUBDXIIUSA-N 851.821 7.674 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@](CBr)(c2cccc(C(F)(F)F)c2[N+](=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 963187781 MBUJMPYREWKLKR-SETSBSEESA-N 671.422 7.106 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@]3(CBr)c4ccccc4CCN3[C@H](C#N)c3ccccc3)ccc21 963188915 BJSKHIMTLQIIKS-QLWXXVCSSA-N 527.550 7.797 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)NCCc1c5[nH]c2ccc(OCc3ccccc3)cc12 963832140 LTDFCCYKFAKFOE-WAAHZVRVSA-N 727.317 8.234 50 1 KKGF CC[C@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963852680 DDWAQFRFLKDBMO-FUCNBRFFSA-N 559.501 6.007 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3F)CC2)nc2ccsc12 1772609658 YXGAZZMPWMOHSV-AATRIKPKSA-N 513.642 6.853 50 1 KKGF CC(C)=CC[C@@]12C[C@@H]3C[C@H](C(C)(C)OO)OO[C@]3(C)C[C@@](CC=C(C)C)(C1=O)C(O)=C(C(=O)c1ccccc1)C2=O 2356332436 DWXZAOPXBPXHQB-URYOOGLJSA-N 566.691 6.676 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)NCCCC)[C@@H]12 2356339517 ONVBEKYLAHOXOC-KLWPHJPUSA-N 537.785 6.955 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356351530 ZLOWUTPSRITHJP-NPHKZUBHSA-N 776.967 5.062 50 1 KKGF C=C(C=CC=C(COCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356360509 HKWUNYJIRFIFHL-GEDYNCGQSA-N 813.133 6.480 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356364708 WVDOCPJINAFKLC-PIUCPPCZSA-N 796.058 5.352 50 1 KKGF C[C@H](CC=CC(C)(C)OO)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@]4(C)C(=O)O 2356419933 JTYXNNOTXILRNY-DEOSSOEASA-N 504.708 5.673 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356443116 APKCWRQIONZWTO-LOQLVUAQSA-N 829.132 5.654 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356489084 JELCKWIUSSGOOT-RCCQJTKVSA-N 741.195 13.424 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CC[C@H](Cl)C(C)(C)Br)[C@H](Br)CC[C@]2(C)[C@H]1Cc1cc(Br)cc(Br)c1O 2356596538 NFMVWIXBGOEENC-UUESZHQESA-N 718.634 10.173 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)CNCC 2356664745 GXWFAMSWGMOMCI-LETALTEKSA-N 624.907 5.216 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C(=C6CCCC7(CCCC7)C6)C[C@H](O)[C@@H]5C)[C@@]4(O)C3=CC(=O)[C@@H]12 2356767992 JYUHPIYEMXDHCN-FFKQHXKMSA-N 810.224 7.930 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@@H](O)C5 2356777191 OYMCAXQHSPBXMK-MUIPNXMNSA-N 854.185 6.217 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3[C@H]1CC[C@H]4[C@H](O)C1 2356831565 JQMKQSPWHVKCKG-QBYJMNFUSA-N 867.063 5.197 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc(Oc2ccccc2)cc1 40949433 VUWBDIWDXFWIPO-FOKLQQMPSA-N 506.150 5.179 50 1 KKGF C=C(c1ccc(-c2ccccc2)cc1)[C@H]1CCOC2(CCC(Nc3ccc(C(F)(F)F)cc3)CC2)OO1 49878217 JDXKRKYSUPFHSI-YOXBCDPKSA-N 509.568 7.874 50 1 KKGF CC1=CC(C)(C)N(C)c2cc3c(cc21)C(c1ccc(NC(=O)c2ccc(CCl)cc2)cc1C(=O)O)=c1cc2c(cc1O3)=[N+](C)C(C)(C)C=C2C 87520189 SRYMYEOAINPJDB-UHFFFAOYSA-O 687.260 7.677 50 1 KKGF in-vitro CSS/C(CCOC(=O)[C@@H](N)CCCCN)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC(=O)[C@@H](N)CCCCN)SSC 95551802 DSTORRQNDDGTMV-OUQBGCQOSA-N 837.298 7.069 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 118930041 KWGXYYDWZMLXGP-BZEDYAROSA-N 648.834 6.831 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSSC[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344169 MCKKZSADBJKHFS-IFXLXUNGSA-N 765.998 8.152 50 1 KKGF biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC 150345080 DQMAEWCVUIFGMB-BOALQFNTSA-N 877.818 12.023 50 1 KKGF in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 150347725 ROGSHOOSHSNFDO-AJBVTVNFSA-N 861.136 8.497 50 1 KKGF biogenic,in-vitro CCCCCCC[C@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621832 KDEBQRHOJZQXGT-PFDCGNQRSA-N 737.460 8.859 50 1 KKGF CCCC[C@H]1CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 255261543 QSSPVYZUPDQNSI-YUGPRRQPSA-N 815.869 7.954 50 1 KKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3ccc(Cl)cc3Cl)ccc21 299864326 MDPGMNSEHMXXAA-VFLNYLIXSA-N 520.247 7.491 50 1 KKGF Cc1ccc(-c2csc3ncnc(SCc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)c23)cc1 587037570 GVQOSNLZMSDTPZ-UHFFFAOYSA-N 514.570 8.493 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054077 BQVIRSHKHSGNCG-VFCFBJKWSA-N 652.630 7.384 50 1 KKGF O=[N+]([O-])c1ccc(Oc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc1 587272366 RENPXYSWKZDUEM-UHFFFAOYSA-N 536.276 8.350 50 1 KKGF CCCCCCCCc1ccc([C@@]2(CCCl)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 587282680 BHDDEYYHQHSTKV-VVUPHFFYSA-N 697.221 5.323 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587369404 GZMXIRIYSINFDE-QMOZSOIISA-N 580.077 5.766 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587509019 VVFJUZQBKRIWDT-ONWOKLMHSA-N 639.204 6.817 50 1 KKGF Cc1cccc(Br)c1[C@]1(CBr)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962647999 VZCJBHFFCFBRMK-PKTZIBPZSA-N 518.249 5.043 50 1 KKGF Oc1ccc(Oc2nccs2)cc1[C@@]1(CCl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958654 OJTMLZKIZQYVNF-QHCPKHFHSA-N 510.965 5.794 50 1 KKGF CC(C)(Br)[C@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963007171 BBSZTTDIMKCBLA-JPYJTQIMSA-N 568.693 5.737 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@@](CNC)(C[C@H]2C[C@H](O)OC)O3)C12CCCC2 2356349319 BYMPGSIYMBPRBE-LBTCPTJQSA-N 903.265 9.365 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4cccc(CCO)c34)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356349377 DKOCTZIMLNRUQC-PCODMFLQSA-N 962.244 7.947 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)CC[C@@]12O)C[C@]3(C)O)CCC=C(C)C 2356362634 DHUQOBXHRXABQQ-OYKSMFAHSA-N 536.753 5.526 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]21O)[C@@]3(C)[C@]12C[C@@H]4CC[C@H]1[C@@H]1CSSC[C@@H]([C@H](C)O)Nc3cccc(c3)C[C@H]1C2 2356374147 OTMZXXBYZPQACP-WVAPYZAVSA-N 597.887 6.318 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C 2356410979 GEZNSMOWMILNSK-NKDGLFHZSA-N 555.800 5.094 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)[C@@H]3CC[C@@H]2C=C[C@H]3SSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC)C3)c2O)C12CCCC2 2356450969 PYVKZEPYFHMRAI-OLWOYJKFSA-N 933.291 9.081 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356486521 VZDZTJNMGHFQEZ-HJQASUJGSA-N 727.124 12.435 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]3CCC[C@@H](C3)SS2)c(O)c(OC)c1O 2356769011 UPUOMSALGOGYLS-RLPJODQSSA-N 738.921 6.733 50 1 KKGF CC(=O)OC(C)(C)[C@H](C)[C@@H](C)C[C@@](C)(OO)C1=CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356793723 HNDRHYSJRCQNII-FHVYTZALSA-N 536.750 5.264 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNC2=CC(=CCN2)[C@H]1CN1C(=O)C=CC1=O 2356850096 POCLVCJYLMZOJD-PYKTVHSKSA-N 687.884 5.578 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc3c(c1)Cc1cc(NC(=O)CCCC[C@@H]4CCSS4)ccc1-3)O2 27430513 AUHZRRXAPAUGID-QYTMHSNXSA-N 616.849 8.264 50 1 KKGF O=C(Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21)N/N=C/c1c[nH]c2ccc(OCc3ccccc3)cc12 28229609 OVFLWCGHNJRFBZ-QNVXDBMFSA-N 575.500 6.021 50 1 KKGF COc1cc2cc(C(=O)Nc3cc(OCc4ccccc4)c4ccccc4c3CCCl)[nH]c2c(OC)c1OC 28474712 JOFFSFBROBVBCN-UHFFFAOYSA-N 545.035 6.960 50 1 KKGF COCCC[C@@H]1CCC2(CCCC2)C[C@@]12CC#C[C@H]1/N=C(\N)N[C@H](C(C)C)CSSC[C@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC4 150348324 QCXYAINKZKXOLG-NZRSMENZSA-N 957.313 7.231 50 1 KKGF biogenic,in-vitro CC1(C)C(O)=C(C=O)C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@H](O)C[C@@]2(C)[C@H]4CC[C@H]13 299807161 FRDYBUXTGDPYDL-VIFCNJOCSA-N 500.720 5.726 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4cccc(Cl)c4)cc3O)sc2c1 299824682 IJIFRTBUZDKTII-WKULSOCRSA-N 538.073 6.232 50 1 KKGF CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(F)cc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 299846972 OIWWWKURGVEDOV-JQERTPCMSA-N 960.066 5.166 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)OCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299855552 BIZRSKBFQALRJC-IOZWSWJXSA-N 871.066 6.663 50 1 KKGF O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1Cl 473150944 NQKLMIPZZCMTBE-DHNIRKAVSA-N 563.030 6.941 50 1 KKGF FC(F)(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587093585 VIKSODKTFSOKPQ-UHFFFAOYSA-N 723.121 9.677 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587323585 RWSFGFDBTPQWCO-FYYLOGMGSA-N 502.292 5.097 50 1 KKGF O=C(CCl)NCc1cc([C@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1O 587330024 ZVJIEAZCOMEEJF-DGPALRBDSA-N 531.967 5.395 50 1 KKGF O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587496366 CMXLRNGDUQAZPB-MHZLTWQESA-N 525.388 6.213 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2)cc1 587538735 RLVOPXDCHCJLOZ-GGXMVOPNSA-N 608.282 6.889 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CCl)c1scc(Br)c1Br 587614231 RKYDYSWAVLQAFS-LIRRHRJNSA-N 530.621 6.075 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 587673206 LJJSRFJDCPENPF-HWRSSNJWSA-N 541.343 7.062 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](Cl)C(=O)c2ccc(Br)cc2)N1 587677098 GODACOLORFHRTH-AMIRBURQSA-N 630.577 7.381 50 1 KKGF COc1nc(O)c([C@@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(O)c1OC 962471294 CZDGJWSNLYUHRF-MUAAUZEESA-N 736.649 6.918 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc3c(c1)NC(=O)CO3)([C@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672180 AWHIDASQZJJPGA-OLRZCDJHSA-N 574.983 5.623 50 1 KKGF CCCC(=O)Nc1ccc([C@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963040939 OXQSMUOPJAEQPY-JRYPVQGPSA-N 645.102 7.446 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CCCCl)(c2ccc(Br)s2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041014 OZEFJATVMIISSV-NLGDKJDOSA-N 672.975 8.312 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3ccc(N4CCCC4)cc3)nc(Cl)nc21 963915773 PLOCZHLRDDTOKE-MUUNZHRXSA-N 581.946 6.068 50 1 KKGF O=C(NCc1ccc(F)cc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccc(F)cc5)cnc34)cccc2c1 1772656439 BDPASXNXAYPLTI-UHFFFAOYSA-N 622.722 7.721 50 1 KKGF COc1c(Br)c2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CCCCl)CC2 1857613250 RTQOPDUFPFFLPZ-INIZCTEOSA-N 556.906 5.347 50 1 KKGF Cc1ccc2[nH]c3c(c2c1)CC[C@]1([C@@H]2c4ccccc4-c4nc5cc(C)c(C)cc5nc42)NC(=O)C(C#N)=C31 1857754208 UWEUPRPYHLOPKF-ZORMNXRFSA-N 507.597 5.941 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](C5)c3cc(O)ccc3-4)[C@H](C)CCSS2)cc(OC)c1O 2356373430 AFKANJMTEOXQHA-LNWBZATGSA-N 636.832 7.598 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356373708 GRVGNXKMQZRDBN-INAGPARDSA-N 827.027 5.895 50 1 KKGF CO[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=C(C)C(C)=CC=CC(C)=CC#N)[C@@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](CC=Cc3coc([C@@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O 2356623329 VIFOVINDEXWVQN-MUWBLRCESA-N 878.010 5.383 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H]1CC=C[C@@H](C1)SSC[C@@H]3[C@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 2356768144 MAJCRYUUKDOHHU-AUGCISQASA-N 706.923 8.640 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]3CCC[C@@H](C3)SS2)c(O)c(OC)c1O 2356769010 UPUOMSALGOGYLS-OLEVRVPWSA-N 738.921 6.733 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)CC1 2356858481 TUHWCANAJAFRAP-YIWNKINFSA-N 829.101 7.147 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2ccc(O)c(OC)c2)CSSC[C@H]1C1=CCN=C1 2356861895 UUVUHJSOZYVDPS-ALJFMCDRSA-N 505.702 5.594 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)CC5=CN[C](N)C=C5[C@@H]2[C@@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@H]43 2356875197 OGXIZZLKAZKGBU-LHMLFBIQSA-N 728.913 5.018 50 1 KKGF O=C1CCSSCCC(=O)Nc2nc(nc(-c3ccccc3)n2)NC(=O)CCSSCCC(=O)Nc2nc(nc(-c3ccccc3)n2)N1 49694505 VOPYUPDUKWKRHU-UHFFFAOYSA-N 722.904 5.182 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 49952348 WESCDBGGMVOYJU-AILUVKHFSA-N 634.807 6.585 50 1 KKGF CCCCSC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 95605317 ADCFAFILABIKEW-QELBCVKTSA-N 561.829 6.611 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4cn3)ccc2[nH]1 95608781 HERUZRCNVYPTNT-HSZRJFAPSA-N 788.183 6.984 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSSC[C@H](C4CCC(CCCO)CC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344145 VJVZGOPPRWGPOC-QDLROIIMSA-N 866.159 9.321 50 1 KKGF biogenic,in-vitro CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 169373404 AQORIEFKNIFUEU-VDBDEUMMSA-N 901.272 7.621 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055020 FMSWVHXZTOLFPS-UYRXBGFRSA-N 596.927 7.796 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3c(Cl)c(Br)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056825 RYNLVAQAWQHIMW-NTUHNPAUSA-N 521.633 7.152 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)CC(=O)c2cc(C)cc(N)c2O1 587374108 GLIUNFMQXCFNFJ-FLKCNCMJSA-N 602.555 5.462 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)n2)cc1OC 587376799 QCCWTMUKTYEDNK-LHKSUUPMSA-N 565.022 6.316 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 587669539 DVXVTZSBRBOWLF-VVVCHXIZSA-N 537.021 5.390 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 587680434 OBDNXHVTOKKYFG-YYSFKGJASA-N 515.604 5.820 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cc(C(=O)C(Cl)(Cl)Cl)n(C)c2)N1 587687281 YTFRVGQCHDNKMG-XYZCENFISA-N 517.053 5.496 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 587714139 VBNYYHUMVMDHLV-RBHXEPJQSA-N 517.105 6.058 50 1 KKGF ClC[C@]1(c2ncc(Cl)cc2Br)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962640981 MSOMPOIGEPNKPI-HYBUGGRVSA-N 503.271 5.727 50 1 KKGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089304 GUZABRATOGOKBI-JBQSSDAJSA-N 651.228 7.536 50 1 KKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(CCl)c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 963614892 ZQKYPVSMBDIMCB-AKJBCIBTSA-N 517.895 6.199 50 1 KKGF Cc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1F 1772577947 FGFXVWOTSZPHLE-JOCHJYFZSA-N 500.414 6.110 50 1 KKGF COc1ccc([C@H]2CC(c3ccc(O[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)=NN2C(C)=O)cc1 1857648203 YHJADTWSDOURQS-WCYBUULUSA-N 576.690 5.980 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3cccc4ccccc34)nc12 1857755722 ZCRWRDAYYIHOQS-UHFFFAOYSA-N 531.595 8.361 50 1 KKGF O=C(COc1ccc(N2C(=O)[C@H](Cl)[C@H]2c2ccc(Cl)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911581706 WRJKYWYSPPUGBU-UKKSXFMPSA-N 657.558 5.273 50 1 KKGF CC(C)CCc1c2oc3c(c4c(c(OC5CCCC5)c3c1=O)[C@@H]1CCC[C@](C)(O)[C@@H]1O4)CSSC[C@H](NC(=N)N)C[C@H]2O 2356292442 HDQFXYHJZGYSJY-QOMILDEQSA-N 631.861 5.653 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@H](CCO)[C@@H]2C=C[C@@H]3[C@H](CC)N(CCCOC)CC[C@@H]3[C@]21O)C4 2356354340 ZDTSGCBHISZYMX-VKHHGGANSA-N 977.161 5.423 50 1 KKGF C[C@@]12CCSSC[C@H](NC(=N)N)CC[C@H]3CSSC[C@@H](CCO)[C@H]4CC[C@H]1CC1=C3C(=O)C[C@]142 2356370842 UTPKMLSOHZHCPO-GUDYYVIQSA-N 541.874 5.105 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@@H](CO)CC3)CC(=O)CC2 2356456685 NFMQEQRMKVOUOH-UGMATXJKSA-N 903.173 7.280 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2C[C@@H]([C@H](C)[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC24CCCC4)[C@]1(C)C[C@H]3CNC(=N)N[C@H](C)O 2356502089 XKPUODGPDDWHRG-DRKUYEBGSA-N 979.452 7.921 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]67C[C@H](C)CC[C@@H]6[C@H](CCO)CC[C@]57C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356510348 WCEFQFNUYJDVIT-NDQWWEMBSA-N 928.264 6.918 50 1 KKGF C=C(CO)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H]1OC(=O)C(=CCCC(=CCCC(C)=CCOC(C)=O)COC(C)=O)CCC(=C)C(C)C 2356565149 QLBJSUHGWCUOJG-SEIPNMBISA-N 778.936 6.800 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356585760 BAFWHSPNZQRTJO-XSFCGUHISA-N 771.143 7.455 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356833387 CAVLCPAIPVFYBR-HTMPBJFMSA-N 802.052 5.568 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)C[C@H]5C=C[C@H]4C[C@@H](C5)[C@@H]3O)C=C12 2356848447 PEVSTNDDAMBYLI-FKFXZZMWSA-N 854.192 6.747 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C[C@@]2(O)[C@H](O)[C@H](CO)O[C@@H](Oc3cccc4c3C(=O)[C@@]3(C(O)=CC(Cc5cccc(CO)c5)=C[C@@H]3C4=O)[C@@H](CCCO)SSCNC3=CC1=CCN3)[C@@H]2O 2356856583 SBLPSYDJDBAYIW-RSXRDRHYSA-N 985.231 5.504 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSSCNC6=CC(=CCN6)[C@@H](CCCO)C3=C4C(=O)O5)[C@H]21 2356864813 VZSNTBVKXTURSO-XZCKFQIOSA-N 636.880 6.425 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3cccnc3)c3ccccc3n2C)c(C(=O)Nc2cccnc2)c2ccccc21 27732735 SSEMIGGXWRCBQS-UHFFFAOYSA-N 564.696 6.764 50 1 KKGF O=C(Nc1ccc2ccccc2c1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc2ccccc2c1 29468961 GNNYNHXPSRGTGJ-UHFFFAOYSA-N 556.712 9.297 50 1 KKGF CC(C)(C)OC(=O)NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(OOC5(CCCCC5)O2)[C@H](C4)C3)c1 49777066 REXWKEARLWDSKE-CCTSIGLGSA-N 526.674 5.489 50 1 KKGF O=S(=O)(N[C@@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 587170846 TZGGWRSRBQIUNE-SFHVURJKSA-N 586.377 7.190 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)[C@@H]1c1ccc(F)cc1 587320221 FBHPINPGRGPADC-NOZRDPDXSA-N 563.206 7.142 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 587329182 XLCIKVPCRDYTFU-XCZPVHLTSA-N 544.837 7.739 50 1 KKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377551 SADOBXXDIXMPMD-UOHWHGTNSA-N 503.979 5.368 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614935 VWDYMDFYYPXCJV-WAKHXKBOSA-N 576.199 7.490 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2Br)N1 587725815 GJLJPTRUBZXZPN-XYZCENFISA-N 510.014 5.663 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 587838672 DHEWOCKPWSEYBD-WAIKUNEKSA-N 574.354 5.326 50 1 KKGF COc1ccc(Cl)cc1C#CCc1cc(OCC[C@@H](C)CCCC(C)C)c(CBr)cc1OC 587898738 PNIDDPVCMKKQLT-NRFANRHFSA-N 535.950 8.078 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cccc([C@@]2(C)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 962400698 GRYLWHNUDYFMOT-KFARLQHASA-N 596.083 6.171 50 1 KKGF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](CCl)(c1cc(C)n(CCc3ccc(OC)c(OC)c3)c1C)N2C(=O)OC(C)(C)C 962703056 DZWSEJBLZIVNPA-GPOMZPHUSA-N 641.180 6.638 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2c(F)ccc(F)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963350731 DAENWBJSDYLBNX-UVMMSNCQSA-N 652.463 6.797 50 1 KKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963578350 FBJPCWJLJMZHES-DRKIFQHWSA-N 651.483 6.270 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(c3ccc(Cl)cc3)[C@H](Br)CC(=O)O)nc(Cl)nc21 963913808 DPQHNAMGFHUOIF-IBVKSMDESA-N 605.320 5.964 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCn3nncc3-c3cccc4ccccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772589610 ZVHZXKYLDMIQDS-JFNFAMDOSA-N 505.615 5.323 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3cc([N+](=O)[O-])ccc3F)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857566724 YKQXZLKYELLNDI-SAAWTJHJSA-N 645.456 5.450 50 1 KKGF N#Cc1c[nH]c2cc(OC[C@H](O)CO)c(NC(=O)CC3CSSC3)cc2c1=Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 1911580569 UVWRRZRGHPHHLL-HSZRJFAPSA-N 655.173 5.715 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356295025 XMXSOSPFFYSUEX-GSNHQAJNSA-N 797.101 6.077 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356301874 ZFWOABHUGDODTL-MMRSIPDJSA-N 903.269 8.641 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356350359 AQXDRUDBROEMMX-YYWDGOAHSA-N 690.973 5.657 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](CCOC)([C@H]2CCCC[C@@H]2CNC)Cc2cccc(c2)C1 2356370082 WRWMHNULNAFUPG-VXPPLJBVSA-N 968.374 6.889 50 1 KKGF C=C(C)C(=O)CC[C@@]1(C)[C@H]2CC[C@@](O)([C@@H]3Cc4cc(C(=O)O)ccc4O3)C[C@@]2(C)CC[C@H]1Br 2356405664 AANFJCZWGKSABQ-DMXRFULNSA-N 519.476 5.715 50 1 KKGF CC(C)=CCCC(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)=C1CCCCC1 2356447877 HZKYWBHFMNTRJC-XFKIRBOASA-N 628.891 6.052 50 1 KKGF COc1cc(O)c(C=CC(C=O)=CC[C@@H]2[C@]3(CC[C@H]4C(C)(C)CCC[C@]42C)CO3)c(O)c1C(=O)C=Cc1ccccc1 2356480971 XVSYISZBIBMIMY-YWCNLNPFSA-N 570.726 7.543 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC[C@]1(C)[C@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 2356572829 PSYSMHVCBGMCIW-IPDMUATGSA-N 566.374 7.920 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356768834 SEBSEOICOUMMTK-DKYAKRNZSA-N 795.081 5.472 50 1 KKGF CC(=O)O[C@H](CC=C(C)CCC=C(C)C)C(C)=CCC[C@]1(C)[C@H](CCCO)C(=C(C)C=O)CC[C@]1(C)O 2356777376 UMUGWPGRUHYSOT-ANLCFORVSA-N 516.763 7.183 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1CC=C[C@@H](C4=O)[C@@]512)NC(=N)NC[C@@H]3Cc1ccccc1 2356777985 JQOMZMIUZQBJNR-GXCAEXCQSA-N 577.860 5.763 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356841088 NEQLNMKFIOWYIG-IRZSFNNRSA-N 701.911 6.080 50 1 KKGF CC(=O)O[C@@H]1c2nc(cs2)C(=O)O[C@H](CCC[C@H](C)Cl)[C@@H](C)C(=O)O[C@H](C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C 2356841478 NJCRSCPKMAXMKK-VCCNMJPESA-N 631.169 5.167 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc3c(c1)Cc1cc(NC(=O)CCCC[C@H]4CCSS4)ccc1-3)O2 27430525 AUHZRRXAPAUGID-JCVFDAPQSA-N 616.849 8.264 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(NC(=O)CCCC[C@@H]3CCSS3)cc1)O2 27433225 CPURDDMQPRRMEV-SKCUWOTOSA-N 528.740 6.692 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Br)cc1 49709047 AHKIBIAGBFFTGN-RRPNLBNLSA-N 560.831 6.983 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccc(Cl)cc2)c1 103184448 NRKQHZGUKJFYBA-GOTSBHOMSA-N 587.257 6.299 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccc(Br)cc2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103292196 KMQJNGXVVJGPED-UHFFFAOYSA-N 555.538 7.569 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SS[C@H](O)[C@H](C4CCC(CCCO)CC4)C/C=C\5OC6=O)[C@@H]32)CCCC1 150344091 GJYUDCWJEHNJOC-ZJCKUHKISA-N 906.180 9.035 50 1 KKGF biogenic,in-vitro CC(C)(Cl)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CC[C@@H](O)[C@]2(C)CC[C@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)O2)O1 238771333 NEJTYBNVYQKIKX-WJMDIBATSA-N 741.470 6.988 50 1 KKGF COc1ccc(C(=O)/C=C/c2ccc(C(=O)O[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc1[N+](=O)[O-] 299856913 KVIRDGKLEPSLJF-MOYULMMRSA-N 593.629 5.864 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Oc3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587320910 HNUNBLVOWNMFOK-XTEPFMGCSA-N 519.366 6.973 50 1 KKGF Cc1ccc(OC(F)F)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587329169 KTADYRXPACLEIJ-XUZZJYLKSA-N 507.302 6.090 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)[C@H]1c1ccc(F)cc1 587332702 JQLAXIPCEIGZPD-YZNIXAGQSA-N 515.943 7.312 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)n2)cc1OC 587376794 QCCWTMUKTYEDNK-BFJTUWMXSA-N 565.022 6.316 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)c(Cl)c3)c1C)CC2=O 587464982 DJAOVTIAEHZTID-AREMUKBSSA-N 524.391 7.107 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(=O)OC)s1)(C(Br)Br)CC2=O 587495572 RYQZVPSJOQMMBV-IBGZPJMESA-N 518.223 5.169 50 1 KKGF O=C(Nc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1)OCc1ccccc1 587537509 GQQNEELCMUEZGJ-ABYGYWHVSA-N 560.400 6.393 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587542814 JMZVJJIYJYVBNO-CPSARDTPSA-N 593.117 6.346 50 1 KKGF C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587819395 MFOGKJUONKDECQ-UIEPOXTCSA-N 510.491 7.816 50 1 KKGF CCN(c1ccc(-c2csc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1)S(C)(=O)=O 587923646 ZJLAGOHRPIAMHF-STZFKDTASA-N 537.751 6.961 50 1 KKGF CC1(C)[C@@H](Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 587941963 ZYHLZSGKLSBELU-BRIBOCROSA-N 678.314 8.524 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CBr)(c2cccc([N+](=O)[O-])c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962403016 KMQLMZYWHOCGND-JOMNFKBKSA-N 632.442 6.028 50 1 KKGF COc1cccc(NC(=O)[C@@H](Cl)[C@]2(c3ccccc3)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1 962626436 JNDIJBCGISDKPB-XKVZAPNPSA-N 593.076 5.634 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@]23NCC2(CCOCC2)c2cccc(C(F)(F)F)c23)N1 962950087 DYBAAQSBRHAPIK-MXBOTTGLSA-N 551.628 6.950 50 1 KKGF CC(C)C[C@]1([C@H](Br)[C@@H](Br)c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951047 GDXIXFVJLAZXBN-ARNLJNQMSA-N 589.334 7.498 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2c(c1)CCC2 963100083 UCBUAXDLKSRGPE-KOHORPAVSA-N 677.288 9.369 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356292527 RPHSRSJIAAZSJX-CRGRVEEESA-N 957.361 9.811 50 1 KKGF C=C(C=C1C=C[C@]2(CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O)C(CO)=C1)CCC=C(C)C 2356349426 FGKVAKLXRFDDLY-OXFURMMHSA-N 510.715 5.280 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2CSS[C@@H]4O)C1=O)[C@]65C 2356350001 SHOFSPKIXBNKOF-KFLOYHQISA-N 866.196 6.707 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356351951 IYCKWDNFUIJRPS-YPSZADEKSA-N 869.241 7.549 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OC)cc(c6[C@H]4[C@@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O 2356360600 JNYWHADAMPJTLY-ZKEDYJEJSA-N 636.832 7.527 50 1 KKGF CCCCC[C@]1([C@@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@@]2(NC(=N)NC)CCC[C@@H](C2)Oc2cc(ccc2O)C1 2356369169 CRAVIEIANLOQGF-NJYZWAKMSA-N 823.091 7.980 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC2=C3CSS[C@H]4C[C@@H](C#CC2)[C@H](NC)[C@@H]2CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]3[C@]13Cc1cc5ccc(=O)oc5cc1O3)[C@@H]42 2356477812 IRHOMWWFQCEXGY-VUOXAMSFSA-N 750.943 5.175 50 1 KKGF CCCCCCCCC=CCCCCCC[C@@H]1C(=O)O[C@]2(C)O[C@H]([C@@H]3C(C=O)=C[C@H](O)[C@@H]4C(C)(C)CC[C@H](OC(=O)C=Cc5ccc(OC)cc5)[C@]34C)O[C@H]12 2356589640 MCVAPTMLHAVOLH-NPPNSLJRSA-N 763.025 9.457 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356618646 BWSVPZGITRPVOU-HVGCTNIYSA-N 915.266 6.228 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356621177 QXYNSIJOQYJLMB-JBHGRQANSA-N 873.147 8.495 50 1 KKGF CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 2356655652 JVJVFLRXLPZVAS-MWHRVESMSA-N 968.251 9.403 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(=O)C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@H]1C2 2356828738 IKJZLJRXFSMVGG-SSWKZVCMSA-N 599.903 6.152 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356854573 RQGPUGCGQBAXPP-BJTJZCSISA-N 873.151 6.187 50 1 KKGF CNCC[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356865905 VLOPSTVTKRZVDM-PTRIRYRASA-N 844.021 5.831 50 1 KKGF Nc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1N 43409134 RHBOJIWALIMQIZ-UHFFFAOYSA-N 560.922 5.412 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O 49850496 OVBLSEULFQICCP-SFTDATJTSA-N 630.311 5.377 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccccc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 102952541 FQUWBDIMZNBBMA-ZQUZXQRBSA-N 505.430 6.580 50 1 KKGF N#C/C(=C\c1cccc(/C=C(\C#N)C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)c1)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 103262712 RXWOOJCKQUEJAX-OHWPSKCASA-N 626.760 7.701 50 1 KKGF N=C(N)c1ccc([C@H](NC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 169343140 HFTCHVWOKABTBT-PQKHWSPQSA-N 842.019 5.556 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(C)=O)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 238734166 AVRZFLNHFOPIIM-ZOIYGDAXSA-N 939.457 16.250 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 238745070 UHFDAENQNSFKSB-HJFFDVMLSA-N 685.087 11.864 50 1 KKGF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@]4(O)C[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 255195043 AMYSIWTVVYSJPA-SDLGGRDASA-N 629.319 5.261 50 1 KKGF C=C1C[C@@H]2C/C=C\C(=O)O[C@H]3[C@@H](C)[C@@H](C/C=C/c4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/C#N)[C@@H]3C 255285207 YTQSRBIUUZXQQA-YKQFKUJZSA-N 578.706 5.534 50 1 KKGF CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587230328 DTGWCHXZIVNKLI-UHFFFAOYSA-N 739.798 5.420 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321111 IINOKNFBYPWQPI-REUXOYDMSA-N 541.413 6.521 50 1 KKGF Cc1cc(C)cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 587328395 UFWBFLJIRLYOFO-DGPALRBDSA-N 504.001 7.049 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)cccc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587334788 YYFGTDHJDYEPBM-SIKLNZKXSA-N 513.256 6.339 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](c1ccccc1)([C@@H](Cl)C(=O)Nc1ccc(Cl)cc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632092 RCYZJQWFQMYNID-LNFMTQTQSA-N 597.495 6.279 50 1 KKGF O=C(O)[C@H]1Cc2c(Cl)cc(F)c(F)c2[C@@](CCCCCl)(c2ccc(I)cc2)N1 962959191 FCCDSGMJJJWLRM-OXQOHEQNSA-N 540.175 5.474 50 1 KKGF Cc1cc([C@@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1[C@@H](C)c1ccccc1 963042380 SAHDJXGOTATPOL-BOJHKDDUSA-N 681.179 8.735 50 1 KKGF Cc1c([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cnn1-c1ccccc1 963201859 SHQKIWKBJJUPRU-LAUBAEHRSA-N 528.756 5.090 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(c2cc(C)n(-c3cccc(OC)c3)c2C)N1C(C)=O 963331428 ZAXGGJPKICBHBO-AMWAWJLMSA-N 831.344 6.388 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)C[C@H]2O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]2C)[C@]64OO5)C[C@H]1C[C@H]3OC(C)=O 1772594374 YGKZJSSEQLOYRM-VNSXUZLZSA-N 815.054 7.870 50 1 KKGF CCOc1ccc(Cc2nc3cc(C(=O)NCCSSCCN=c4c5c([nH]c6ccccc46)CCCC5)ccc3n2CCC(C)C)cc1 1857548445 GJNQPCWPXQPEOZ-UHFFFAOYSA-N 681.972 8.144 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc2c(cn1)CC[C@@H]1CC4(CCCC4)C[C@@]21C[C@]1(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]1O 2356299942 IWFQDGYJVXTRRT-OXADDNEISA-N 927.151 5.879 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@@H](CC)C1)C3 2356363547 MWDKXEUZJMZTKP-QOAVLGGTSA-N 770.920 5.949 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CCC[C@H]2CN(CCCOC)CC[C@H]21)C4 2356373169 TXTQSCGHVWITIU-JYQVUSFGSA-N 838.995 5.486 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](CC[C@@H]3[C@H](OC(C)=O)C[C@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@@H]13)SSC21CCCCC1 2356527666 FZZRIEDNTMQDOE-QYIJFTRRSA-N 847.113 8.121 50 1 KKGF CC=CC=CC[C@H](C[C@H](CCCCCCc1cc(O)cc(O)c1)SS[C@H](CCCCCCc1cc(O)cc(O)c1)C[C@@H](CC=CC=CC)OS(=O)(=O)O)OS(=O)(=O)O 2356637742 CXWSWAOHTLBFGD-MVJOSCLSSA-N 887.214 10.515 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@H](O)[C@H](c1cc(OC3CCCC3)c(O)c(OC)c1O)O2)C4 2356732836 ZSRPJBMLRABGBR-BCQQVQNASA-N 680.885 8.228 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356776611 WCEQYINLAOXKLZ-AKUBECSVSA-N 885.240 7.213 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@H](O)C5 2356777192 OYMCAXQHSPBXMK-SAYPHMSBSA-N 854.185 6.217 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNC3=CC(=CCN3)[C@@H]2CCCO)CCCC1 2356865327 WBJDMNHTJDKGAD-KEMHIKFASA-N 690.972 7.596 50 1 KKGF C=CC/C=C/N(C)C(=O)CCCCCCCC/C=C/[C@H](CSSC[C@@H](/C=C/CCCCCCCCC(=O)N(C)/C=C/CC=C)NC(C)=O)NC(C)=O 3973738 UJORQZOJHPJQER-OVAGAFHPSA-N 759.180 9.828 50 1 KKGF in-vitro O=C(Nc1cccc2cccnc12)c1ccccc1SSc1ccccc1C(=O)Nc1cccc2cccnc12 29471404 CZECXONVHHTBFG-UHFFFAOYSA-N 558.688 8.087 50 1 KKGF O=C(c1cccc(F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72175766 LSRWTRNPTOWKPW-QVIHXGFCSA-N 545.327 7.025 50 1 KKGF CN1C(=O)[C@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCBr)(CCCCBr)C3)c2ccccc21 103196544 IGZCFKDLRLRBIU-SANMLTNESA-N 591.344 5.359 50 1 KKGF COC(=O)CC[C@H](O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 169304680 SFXFJEZXIQVKPD-OYAQGEGBSA-N 539.463 5.668 50 1 KKGF CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)OP(=O)(OCC)OCC)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716307 OABATNHEYFSJFT-AAQJBXANSA-N 566.628 6.226 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@H](Cl)C[C@]2(C)[C@]1(OC(=O)c1ccco1)C(=O)CF 253862538 FEJQUBQBRRMWJR-QFAXRGCWSA-N 523.428 5.846 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 254130871 HJZKIBHFMSMROG-QXUYBEEESA-N 711.907 7.130 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 299809339 PRMIBYNRLGYONF-PGBBYKEESA-N 516.927 9.389 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299886824 XVMMCUIYMJRLTO-FQZKSCCSSA-N 745.058 9.138 50 1 KKGF Cc1ccc(NC(=O)CSCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586970650 NNIQTPZORCNFHD-UHFFFAOYSA-N 530.382 7.206 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3cc21 587057053 TVUIBZWGKRIKIH-ZMOGYAJESA-N 745.575 8.760 50 1 KKGF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587072295 QLWCBGLAFAHWCM-RDZUSDMXSA-N 562.229 9.656 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587324935 VUMZJFAAYCNKJG-NQNCGZLKSA-N 541.962 5.944 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1OC 587499524 UVQHNYUMXSELLD-PMERELPUSA-N 508.058 6.343 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587536348 VCYJBSCJZZTRHT-SSEXGKCCSA-N 536.093 6.601 50 1 KKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 587543319 KHCONVOAUNBTDU-KPNCYPGSSA-N 509.989 7.273 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587546629 XALXLROQUAUDST-IRPSRAIASA-N 517.965 5.682 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587552530 AIRAHYLRTLWNDN-SRBIXZLXSA-N 679.181 6.640 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587672483 FZHMJGNPMXZZHA-MYYSRTQBSA-N 564.249 6.248 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689742 VJYNXGPOBAOQSA-FYDMHJLLSA-N 550.727 6.770 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 587714626 AYRIZWNNBAQDKK-IWEMQMMOSA-N 578.904 6.928 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)c(F)c2)N1 587724718 LKVFVDPORPBCCC-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587782242 JZSHQEAEIOHTRM-UHFFFAOYSA-N 521.305 7.934 50 1 KKGF C[C@H](Br)[C@@]1(c2ccccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717767 VLHWNKZIXNSJHV-ALENRHNPSA-N 692.576 6.969 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]12[C@@H]1[C@H]3C(=O)[C@H](Br)[C@@H]4[C@H]3C[C@@H]1[C@H]4[C@H]2Br 962983208 CCLMLPZLDXDEGA-WQPGDZPGSA-N 677.817 5.448 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCCCCCCl)c1cccc(F)c1 962992505 KUQLQIPNJQSFAV-JGCGQSQUSA-N 586.531 7.587 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](c2ccc(OC)cc2)([C@@H](C)Cl)N1C(C)=O 963300858 IJWACPSXDGUYGW-GELDYNEBSA-N 752.242 5.369 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CSC#N)(c2ccc3ccccc3c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963363368 CHVSWZALCBWMHL-LFGICVIVSA-N 626.734 7.352 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(C)[C@@H](Br)Cc1ccc(Cl)cc1F 963841360 MEOXJQBXVMYIAB-BORKOYIJSA-N 554.884 6.645 50 1 KKGF Cc1ccc(-n2c(-c3cc4ccccc4oc3=O)cs/c2=N/NC(=O)c2cc3ccccc3oc2=O)cc1C 1857567994 VNENDSDPANZZAV-NHQGMKOOSA-N 535.581 5.281 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4Cl)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4Cl)cc23)cc1 1857630264 PRMSJEWCRDHKDF-FTNJMUCTSA-N 697.626 8.972 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356301362 VQQFSRWWXVYPTN-ATKDQSSYSA-N 931.323 8.950 50 1 KKGF CCC[C@@H]1[C@H]2CC[C@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356363952 ROHRQEVSRZLHDH-JMHFGWKJSA-N 872.166 8.957 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356731467 OKDFDEFIZYEHIN-MUOYOCHVSA-N 859.212 8.956 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@@H]2C=CC[C@H]3O 2356773534 BVCFRCOSYVVCHU-ADHISQROSA-N 940.286 5.474 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@H](C2CCCCC2)Cc2cccc(c2)C1 2356779176 NMOYBIPBMJFVHK-UTRPXZFUSA-N 767.108 7.125 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CCC(Cl)=C(C)C)[C@H](Br)CC[C@@]2(C)[C@@H]1Cc1cc(Br)cc(Br)c1O 2356805170 VFDRWRLRZIENRT-RPWSAJEQSA-N 637.722 9.925 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]45C[C@H](c6ccccc6)C[C@@H](C=C[C@@H]4CCC[C@H]3O)[C@H]5CO)C=C12 2356818783 DWESZVYYLPEPAH-XGBXUNTRSA-N 974.343 7.893 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@H]7[C@@H](C)C[C@H]8O[C@]9(C)C[C@H](C)C[C@H]%10OC(=O)C[C@H]%10O[C@H]9C[C@H]8O[C@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 253977493 MGVIMUPHKPHTKF-GBNVBLPOSA-N 867.086 5.951 50 3 KKGF c1ccc2c(c1)CCN(CCCCCCNCCSSCCNCCCCCCN1CCc3ccccc3C1)C2 28220360 MVCVENPTLWWUSE-UHFFFAOYSA-N 582.968 6.784 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 43889053 MYRMZFUQZMMUSV-FITYIUBPSA-N 524.498 6.227 50 1 KKGF O=C(N/N=C/[C@@H]1NN(c2ccc(F)cc2)[C@@H]2[C@H](Cc3cccc4ccccc34)CCC[C@@H]12)c1ccccc1 58672600 IWRDBMLARBRACV-GXCOOKHZSA-N 506.625 6.116 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Br)cc1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Cl 84709960 NURTVJZFUNMQJT-HSZRJFAPSA-N 583.317 7.067 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CC[C@@H](Br)C(C)(C)Cl)[C@@H]1Cc1cc(Br)cc(Br)c1O 96085359 RWUQIKIJRXVZFL-SQCBNSKFSA-N 718.634 10.173 50 1 KKGF in-vitro O=C(c1cccc(Cl)c1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2cccc(Br)c2)o1 103185681 WBQDMLSBXHIHGG-FCHUYYIVSA-N 607.675 6.644 50 1 KKGF Cc1cc(C)cc(C(=O)N(N(SN2CCN(Cc3ccc(Cl)nc3)/C2=N/[N+](=O)[O-])C(=O)c2ccccc2)C(C)(C)C)c1 103222814 IKMQVYMONHHZNH-BLCKFSMSSA-N 610.140 5.579 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 150532498 ABAPNRUCCZDZNU-OQKIYVQUSA-N 675.904 7.184 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1 166765263 JZRIIAOCBVJZJA-OQKKBSBFSA-N 665.301 7.602 50 1 KKGF C[C@@H]1[C@H](CC(C[C@H]2O[C@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169615576 CRSJHIRCVZDTHB-SSHCNMGTSA-N 832.066 7.556 50 1 KKGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2ccccc2)[C@@H](c2ccccc2)S3)s1 169720164 WELDRZYKNZORPW-RUZDIDTESA-N 542.089 6.950 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(CN4CCN(c5ccccc5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 217119877 VGLJPLXJYBFXJP-RTJBLCNUSA-N 534.697 5.596 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1 261125720 KFHKXMBLOGYCPH-OGESRWMOSA-N 537.784 8.002 50 1 KKGF FC(F)(F)c1ccc2c(c1)N(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1S2 299836952 NYUDHWXIQJBKCM-UHFFFAOYSA-N 570.640 8.692 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CCNC(=O)CBr)[nH]c3cc21 586971025 KPTVAZGUPNVPPB-UHFFFAOYSA-N 646.586 5.877 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587056210 NZZILPWVEATQJM-UYRXBGFRSA-N 542.492 6.372 50 1 KKGF COc1cccc(-c2cc([C@@H](Br)Cc3ccc(Cl)cc3F)nc3c2oc2ccccc23)c1 587361165 XDXBVTDKLQROHT-NRFANRHFSA-N 510.790 8.128 50 1 KKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587508960 UGYQCCKQAALJFE-HHHXNRCGSA-N 520.403 7.327 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1Cl 587533474 UNMBWACLOGYWTB-QFIPXVFZSA-N 532.283 5.921 50 1 KKGF CCCCCc1c(CBr)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587618679 PRZMWXNGDPTSOO-UHFFFAOYSA-N 510.410 5.513 50 1 KKGF COc1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587671750 AMCQWXQDSTZCPL-XTZNXHDOSA-N 522.050 5.532 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C(C)C)cc1C(C)C)([C@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671507 DQVMLLSSWIJHDN-MNAQKMTRSA-N 588.110 8.539 50 1 KKGF C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)s1 962961071 SHMKVLKTYVFHBX-KKSFZXQISA-N 512.714 6.986 50 1 KKGF N#CC1=C(N)OC(c2ccccc2)=C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 1857603785 FVYHTJOFZUDSPQ-GDLZYMKVSA-N 522.608 6.967 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOC(=O)CCCC[C@@H]4CCSS4)c4ccccc34)[C@H]21 1857747513 KEPMRPWXFNWASE-QNLPTKCRSA-N 591.843 7.606 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356307735 OOGNDOYDCCOFDN-JYICNXGJSA-N 731.937 5.756 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)([C@@H]1CCC2(CCCC2)C1)CC[C@H]3O 2356350442 CGLJFDZQEDMIOJ-URDZGCAZSA-N 977.427 11.901 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356350761 JLALTYWRLZASII-HYOHBECFSA-N 827.116 5.574 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)C7)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356350970 NMCPBFKPOSLMST-ANSGTDFASA-N 934.318 7.376 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@H]7CSS[C@H]8[C@H](CC#CC[C@@]35[C@@]4(C)[C@@]21O)CC[C@H](O)[C@H]8Nc1cccc(c1)C[C@@H]7C6 2356375586 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CC[C@H](Cl)C[C@H](Cl)C=C[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@@H](OC)c2nc(C(C)=O)cs2)[C@@H]1C 2356508621 KVAGQEMNZHLCBY-KBRQDKDYSA-N 674.342 7.163 50 1 KKGF CCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O 2356752890 CAEDYXLYBKMFFK-JIEAAVMDSA-N 683.027 10.276 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@@H]2C=CC[C@@H]3O 2356773536 BVCFRCOSYVVCHU-QAGMETQUSA-N 940.286 5.474 50 1 KKGF CNCc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356775334 KHLZZQMMPGZEGK-JNHNZCQXSA-N 739.105 6.265 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@H]1O 2356778318 RLHONFSRUWCIHA-FVPPHTGHSA-N 931.234 8.595 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@@]23CC4(CCCC4)C[C@H]2C=Cc2cncn23)SSC1 2356874107 YSRYZXIQHORELR-CGCOAOGQSA-N 700.971 7.342 50 1 KKGF N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc(-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1 49807503 SUGXAUZWFSFNCE-PSGILQGOSA-N 683.841 7.787 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)NCCN(C)C)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC(C)(C)OO3 49841236 HQRKGXIOGJQPQN-UXXCAZHGSA-N 650.854 5.165 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CCCC(C)C 85544728 NGNSIQFBJPYTHZ-VKBAUQKISA-N 556.828 6.777 50 1 KKGF biogenic,in-vitro CC(C)Cc1cccc(C[C@@H]2CNC(N)=N[C@@]23CC[C@H]2CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]5CC6=C2C(=O)C[C@@]64[C@@]5(C)CCSSC3)c1 150342315 GYKGSNGFZDRSDD-SFMMFUCJSA-N 744.171 7.186 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 150348651 YTOVLUFKVNKJON-DXJWXRGOSA-N 889.282 9.543 50 1 KKGF biogenic,in-vitro C#Cc1cccc(Nc2cc(C)nc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)c1 169352628 VAAGTUICAKNMTH-UHFFFAOYSA-N 532.475 7.196 50 1 KKGF O=Cc1ccc(OCc2occc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586900096 CKCANGYSBRLXQY-UHFFFAOYSA-N 523.277 7.634 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)c1cc3c4c(ccc(C)c4n1)C(=O)c1ccccc1-3)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587101468 NNAXCCJLPYVWDI-RQWFJYDXSA-N 968.194 8.432 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=Cc5nc6cccc7c6c(c5C[C@@]43C)-c3ccccc3C7=O)[C@@H]1CCC2=O 587101711 LNAACCHYVBDLBD-IXIKDYFHSA-N 552.512 7.571 50 1 KKGF O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)[C@H]1[C@@H](c1ccc(O)cc1)O3 587282447 MQSCSHXPDBBBKZ-AVZIZDPMSA-N 760.417 5.041 50 1 KKGF Cn1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl 587547348 ZOVKTEULZQEOJR-DYESRHJHSA-N 515.176 5.380 50 1 KKGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587671746 AMCQWXQDSTZCPL-MGNBDDOMSA-N 522.050 5.532 50 1 KKGF COc1cc(/C=C(\C#N)[C@@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O 587738415 ODNLXWFTWJWSGX-POHPFBSRSA-N 651.270 5.703 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)c3ccccc3C1=N2 587740346 JMSWCHLTJFZDCV-ZQHDKMAOSA-N 557.467 6.517 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](NNC(=O)c2ccccc2)c2ccccc2)N1 587746731 HUKFZCQJWORVEP-OCQCLJPXSA-N 544.468 6.042 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)[C@H](Cl)C(=O)c2ccc(Br)cc2)cc1 587904893 BWZRBLMKQINMOK-QFIPXVFZSA-N 502.191 6.184 50 1 KKGF CCCC[C@@H](CCCC[C@H](C)[C@@H](OC(C)=O)c1cc(O)cc(O)c1)c1c(O)cc([C@H](O)[C@@H](C)CCCC[C@H](Cl)CCCC)cc1O 653735472 OALOPYYRKWCJGW-GEMGDCENSA-N 663.336 10.311 50 1 KKGF CN(C(=O)NC(=O)c1ccc(Cl)cc1Cl)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 653893443 MIAKLSKYKRXIRF-DRVPFVGDSA-N 680.336 7.256 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)N(C)[C@H](C)C2 962631408 RIHDLOWJGGXJMX-VPTFNQTCSA-N 514.463 7.116 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(c2ccc(Br)c(Cl)c2O)N1 962704039 UBYANDUEWHQGCU-GUYCJALGSA-N 517.100 5.047 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CBr)c1ccc(S(=O)(=O)CC)c(Cl)c1Cl 962991034 SKPGKTURFWVLNI-GDLZYMKVSA-N 703.866 6.754 50 1 KKGF COc1ccc(Cl)cc1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963021759 RHVHQTMOGSBIJO-AMGIVPHBSA-N 588.285 6.274 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(Cl)c(Cl)c1)[C@@H](Cl)C(=O)c1ccc(Cl)c(Cl)c1 963055778 LOCKDBXORWMJRP-SVBPBHIXSA-N 580.726 7.737 50 1 KKGF COC(=O)C(C)(C)[C@@]1([C@H](C)Br)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963213298 HCUUBYZFWQPRDR-BQSDQBHVSA-N 712.506 5.647 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@]2(CCC[C@H](Cl)C2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963221149 WMHCWLVUMZOQEJ-WDIXVTTFSA-N 608.003 5.846 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1ccccc1Br)c1ccccc12 1772618780 YRVNSLXQJRLOJI-PSXMRANNSA-N 677.522 6.199 50 1 KKGF O=C(N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)N/N=C1\C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 1911574078 KIDATNHQDGJITL-VDNXUYDZSA-N 597.462 5.495 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356364542 YFAAPHSWUTXVSI-NTNSISDTSA-N 571.849 6.072 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CCC[C@]3(O)CCC(=C(C)C=O)[C@H](CCCO)[C@]23[C@@H]1O)CCC=C(C)C 2356489037 HUBIYDMTGAHBSA-XXARQRRRSA-N 512.731 5.360 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C)=CC=CC=C(C)C=CC=C(C=O)CC[C@@H]1C(C)=CC=CC1(C)C 2356589351 FXJMSBSQWHKYLZ-PQQNNWGCSA-N 566.870 10.612 50 1 KKGF CN1C[C@H](Cl)[C@]23C(=Nc4cc(Br)ccc42)N(C)CC[C@]32Cc3ccc(Br)cc3N=C12 2356820442 FKYDRUSZQJYVQJ-PMOQBDJRSA-N 548.710 5.654 50 1 KKGF CC(C)=CCC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@]1(C)CC=C1[C@@]23C=C[C@]2(OO3)C(C)(C)[C@H](O)CC[C@]12C 2356852760 QTEGGQUMNWUDAN-OAGCKDBZSA-N 500.676 5.354 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356868699 XEUVHGQQAXCQSX-DJFFAEIMSA-N 715.938 6.470 50 1 KKGF COc1cc(N2C(N)=C(C#N)[C@H](c3c(O)ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 45318610 SOPZDWFFMKNTLW-HHHXNRCGSA-N 525.605 5.512 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H]([C@]1([n+]3cc[nH]c3)CCC3(CCCC3)C1)c1cc2cnc1N 85596427 MSEVRVQORITBJP-SKDTZFEBSA-O 699.963 7.988 50 1 KKGF biogenic,in-vitro CC(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)CN(Cc3ccc(-c4ccccn4)cc3)NC(=O)[C@@H]3CN(c4cccc(C(C)=O)c4)C(=O)O3)OC2=O)c1 95544820 BEQKYIIVCGSEAQ-IWWWZYECSA-N 824.891 5.126 50 1 KKGF CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1)C(=O)O 95601582 MLSUHMDZLFBKCZ-RXSNDMBXSA-N 602.813 5.166 50 1 KKGF CCC[C@H]1[C@H]2C=C[C@@]3(O)C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 150349143 MLIDFJGUTAWDFV-QJZVGJAGSA-N 869.142 8.518 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(Cc3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 150542256 AXDTVHDQUUWLJT-PFLPIFDOSA-N 810.550 9.484 50 1 KKGF C[C@H]1CC[C@H]2[C@H](CSCCCCSC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169373028 KMZJLUPIQIDZHL-XUWTVMRRSA-N 682.898 6.010 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191676 UUHHJULPRPSUOP-IROVJIRSSA-N 708.660 8.376 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F 587548009 MPZOYLMAUVROKB-DENIHFKCSA-N 509.274 5.672 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br 587878455 FCPMWBYGOYTQJN-LBPRGKRZSA-N 502.623 5.032 50 1 KKGF COC(=O)c1cc(-n2c(O)ccc2O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(Cl)cc1Br 587937367 QOPBCPZOXJCUQD-ZJWKJFELSA-N 612.901 5.972 50 1 KKGF CCc1ccc([C@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963035604 IOLQZUZBYSPYKX-QIKUIUABSA-N 588.050 7.270 50 1 KKGF O=C(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(OCCSSCCO)cc1 1772620675 VSLHVYXAJARFNB-UHFFFAOYSA-N 510.121 5.039 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccccc3C#N)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857553407 VHJPNHJKNFHQIT-VXUCHHJVSA-N 607.479 5.274 50 1 KKGF CCN1CCN(Cc2csc(-c3ccc4c(c3)c(C(=O)N/N=C/c3ccc(Cl)cc3)cn4CC)n2)CC1 1911582806 ZEUVEZKGDXSMLA-OKCVXOCRSA-N 535.117 5.340 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911583280 TZRQIYGQDXTNLH-XMMPIXPASA-N 560.461 5.501 50 1 KKGF N=c1[nH]ccc2c1CSSC[C@H](CO)[C@H](O)[C@H](Oc1cc([C@@H]3C=C[C@@H]4C#C[C@H](CCO)CCCC[C@H](O)[C@@H]4[C@@H](O)C3)ccc1O)C[C@@H]2Cc1ccc[nH]1 2356291990 BXMLARMRNAABKI-VRAZREEFSA-N 764.023 5.130 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)N[C@H](Cc3ccccc3)C(=O)OC)[C@@H]12 2356339666 SHEQTFKRFVRGDB-WKMCTXSLSA-N 643.865 6.939 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@@H]2C=CC[C@@H]3O 2356367950 GZSWNBGZJZWDKH-FXOVGBKLSA-N 960.317 5.884 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 2356368357 KSNDLQXVZFSTBG-YMGCVWNESA-N 843.026 5.601 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O)[C@@H]2O)COCC#CCC(C)=CCC1 2356450576 APOAALRBVVAWAJ-HBEMUUHUSA-N 522.726 5.382 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2C[C@H]3CC[C@@H]4CCC[C@@]4(C2)C3)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356577892 VYRWBBKFTONUEP-VSEZYDJCSA-N 864.276 7.439 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CCCCCCSSCNC(=N)NCC[C@@H]2CC(=O)N3Cc4cc(cc(OC5CCCC5)c4O)C[C@H]1CC#C[C@H](CC(C)C)[C@@H]23 2356775909 PMRQFMNOXMQVOT-QGNKGJNHSA-N 771.103 7.149 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356823291 GKZDWXZAEMRORI-PBKNVDDNSA-N 879.247 7.450 50 1 KKGF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 26576829 WYBFHVSAXDKMJV-LTZCGFDGSA-N 743.245 5.627 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccc(C#N)cc43)cc2c1 34608615 BPQAYFOOHPWBLW-SFHVURJKSA-N 517.973 5.024 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](O)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 95578610 PSUBKNYADOYCNJ-OVAHYCHWSA-N 531.531 6.909 50 1 KKGF CCOP(=O)(OCC)[C@@H](NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C 95582242 FVECTBQHUNBIEG-SSEXGKCCSA-N 526.618 6.599 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)N(CCNC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OCC3c4ccccc4-c4ccccc43)CC(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 150564914 BAXGYSAGBKLOHK-YLGAHFKBSA-N 933.153 7.516 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccccc2[N+](=O)[O-])N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586885 JCYKJXXKGWVVNG-CWTKIQHKSA-N 775.874 9.393 50 1 KKGF Cc1ccccc1CNCCCCCCCNCCSSCCNCCCCCCCNCc1ccccc1C 169330128 LDOVCBDLABFDDE-UHFFFAOYSA-N 587.000 7.644 50 1 KKGF COc1cc2c(c3oc4ccc(CBr)cc4c(=O)c13)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)[C@@H](OC(=O)[C@@]13CC[C@@](C)(C(=O)O1)C3(C)C)C(C)(C)O2 195435604 KNQROZXVENVIGO-KXVFYNJYSA-N 795.676 6.761 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OCCCBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299863935 QJUMBADDLCQOEG-KZDAZGORSA-N 575.672 8.541 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)[C@@H]1c1ccc(F)cc1 587340714 YXJUTPIGTXHMLT-GEEWNISJSA-N 632.270 7.964 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 587672861 IPRUPHQSXHTFKG-CFMSYZGJSA-N 549.065 6.723 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2F)N1 587714897 GKQAYCBUKNHGBF-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]1(CCCCCCl)c1cccc(Br)c1 961783008 LQSPXCCASOMDNB-LYVYPOQBSA-N 641.006 5.184 50 1 KKGF CCCCCCCc1ccc([C@@H]2C(C#N)=C(C)NC3=C2[C@]2(c4ccccc43)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963135788 COLPWPWXBSAMMH-YWZTWLIPSA-N 678.877 8.650 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)C(=O)[C@]1(C)CC[C@H]2[C@]1(C)CBr 963175766 RYYPRAINYNSPFT-LUNRBOAVSA-N 664.644 6.562 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1ccc(Cl)cc1Cl)=N/O)/C(Cc1ccc(Cl)cc1Cl)=N/O 1857560724 QMJHOOZKPMOOHV-CZYCKNNWSA-N 612.388 5.360 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCCC5(CCCC5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O 2356363639 KZIOCCRFTCBLOS-WTRAPDTLSA-N 916.209 5.967 50 1 KKGF CC=CC=CC[C@H](C[C@H](CCCCCCc1cc(O)cc(O)c1)SS[C@@H](CCCCCCc1cc(O)cc(OS(=O)(=O)O)c1)C[C@@H](CC=CC=CC)OS(=O)(=O)O)OS(=O)(=O)O 2356568757 OZONNSYTHKPECL-IASBXJNJSA-N 967.278 9.991 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)C[C@H](C2(O)CCCC2)C[C@@H]2CN(CCCOC)CC[C@H]21)C4 2356654309 QFLXSRJKMHREAP-BDFFVVPESA-N 953.139 5.235 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)CNCC 2356664746 GXWFAMSWGMOMCI-QRSUEKDNSA-N 624.907 5.216 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356681856 IPKLNOAFVZYVHP-NKJBGIRQSA-N 942.390 9.195 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356705460 OTNOHAQWJNAIKA-VYQZCWSMSA-N 894.206 5.701 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356772994 NVIGVSVOWJJEDT-MEOZFPCPSA-N 960.306 6.669 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3CCC(CC3)[C@@H](CC1)[C@H](O)C2 2356779468 SKPGJXQIZQITBK-PDSVJLINSA-N 991.418 11.431 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24CCC[C@@H]3[C@H]1OC4=O 2356814862 CLVUQFYVVGXHNJ-MZLGLBHVSA-N 806.967 6.312 50 1 KKGF COc1ccc(-c2c3ccccc3c(-c3ccc(OCCCCCBr)cc3)c3ccccc23)cc1 1633338 QSCMRUNAFBXNIL-UHFFFAOYSA-N 525.486 9.280 50 1 KKGF COc1ccccc1[C@@H]1[C@@H](Cl)C(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873561 UTVKAGYMPJEEHO-JWQCQUIFSA-N 657.377 6.129 50 1 KKGF COc1cc(N2C(N)=C(C#N)[C@H](c3ccc(OC)c4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 49680246 LAYWABDBAXNFKH-NDEPHWFRSA-N 539.632 5.815 50 1 KKGF CO[P@](=O)(F)CCCCn1cc(CNS(=O)(=O)c2ccc3ccc4cccc5ccc2c3c45)nn1 49761819 IYZDWRULGTVXNU-UMSFTDKQSA-N 514.519 5.243 50 1 KKGF C[C@]12CCSSC[C@@]34N=C(N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549227 AYDSPICUMVHRMJ-BCDLULJBSA-N 742.111 6.091 50 1 KKGF biogenic,in-vitro CCCCC[C@@H]1[C@H]2CC(=O)N1Cc1cc(cc(OC)c1O)CC[C@@H](OC(C)=O)C[C@@H](O)CCCCCCSSC[C@H](N=C(N)N)C2 85627407 LTEXJOXQAWZFCM-LXRLAABLSA-N 680.978 5.691 50 1 KKGF biogenic,in-vitro O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(S(=O)(=O)C(F)(F)[C@H](F)Cl)cc1Cl 103187871 RWGCABWJLPFKPY-AWEZNQCLSA-N 525.666 5.134 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C=C(C)N(c2cc(OC)cc(OC)c2)C(N)=C1C#N 103950497 TYSUGDJOQOSOTL-LJQANCHMSA-N 525.411 5.529 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@H]3CC[C@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O 150342909 OCBIJFJFCBPYMV-LKPGZTOGSA-N 682.857 6.667 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@H](COC(=O)CCC(=O)O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253688001 MRMWPXILPFNNHC-HCNOHFMZSA-N 706.870 6.292 50 1 KKGF CC(C)=CCOc1ccc2c(C)c(Cc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(=O)oc2c1C 586917077 CUGFWCSWLXFCSY-UHFFFAOYSA-N 514.516 7.879 50 1 KKGF CC(C)Oc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br 587191778 XJDMJZFHWSOHCW-TZNUUNCUSA-N 698.743 8.145 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)c1cc3c4c(cccc4n1)CC3)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587215903 PHZRSJOZJAVNMM-VIDRFFAJSA-N 878.113 7.011 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)[C@H]1c1ccc(F)cc1 587325106 CCMNPTGRFQBQLZ-XCZPVHLTSA-N 503.913 6.600 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)[C@@H]1c1ccc(F)cc1 587332699 JQLAXIPCEIGZPD-VIZCGCQYSA-N 515.943 7.312 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537403 DXXWHFGXMPSFCT-JXHRLWIKSA-N 548.183 5.250 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OCc2ccccc2)c1 587538345 PGQFZPHXHSAETQ-LBNVMWSVSA-N 517.375 6.223 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 587672614 GPVKVVWUXBLPJJ-ODCWNRFASA-N 523.328 7.110 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 587681780 ARBAHOPTWUNIIA-CANCMXDXSA-N 513.794 5.136 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587687495 GZUIAKMLUJNGTR-HJWYETAXSA-N 571.922 5.810 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 587712913 BQGBEJRKHBRJFY-HOGDKLEQSA-N 545.140 5.964 50 1 KKGF COc1cc(/C=C2\CCC/C(=C\c3ccc(OCCCN4CCCCC4)c(OC)c3)C2=O)ccc1OCCCBr 653758694 ROUKFVRLODEAER-GPAWKIAZSA-N 612.605 7.342 50 1 KKGF COc1cc(/C=C/C(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)[C@H](OC(=O)/C=C/c6cc(OC)c(OC)c(OC)c6)C[C@@H]([C@H]2C)[C@]53OO4)cc(OC)c1OC 653764348 ILKKNVSSWQPWOO-KRDHLNRNSA-N 740.799 5.738 50 1 KKGF CCn1nc(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1=O 653843525 SHSDQAKWXOICEZ-UHFFFAOYSA-N 583.692 7.237 50 1 KKGF CCOC(=O)c1ccc([C@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962963806 WWQFZCYJQKAMTR-QHCPKHFHSA-N 512.366 5.172 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CCCCCCCl)c3ccccc3)c(O)c2C(=O)O1 962967536 LDKCWMKSRCVATA-WWDMOCDSSA-N 610.534 6.732 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963034626 GDSBTRHWMOOKOQ-BYHBGFKFSA-N 710.571 8.443 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(Cl)cc(S(F)(F)(F)(F)F)c2)N1 963181351 NBTFXKAJENMYCJ-WFASDCNBSA-N 516.237 7.358 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CBr)(c2ccc(I)c(F)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963224715 MSCGROPSELPQKD-BNHRFMORSA-N 836.336 6.990 50 1 KKGF Cc1cccc2c1[C@@]1(c3cc(Br)cc(F)c3C[C@@H]1Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863253 RQHLNKRLAWDFMK-BXEPQMNJSA-N 583.292 6.096 50 1 KKGF CC[C@H](C)[C@@H](c1nc(C(=O)OC)co1)n1cc(C[C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C(C)C)C2)nn1 1857569411 KBJGSEURNATIHP-IOBRTOJZSA-N 532.802 6.693 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356304876 GIYDNSQLIPTHND-IXGYZFKUSA-N 905.285 8.778 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356415674 SAUYSCRSSSRBBY-SBYAJHKBSA-N 801.122 5.988 50 1 KKGF C[C@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C[C@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1O 2356641633 WKPXZZKUCLAECJ-JNBHHJFUSA-N 706.619 11.307 50 1 KKGF C=C(C)CCOC[C@@H]1O[C@H](n2cnc3c(N[Si](C)(C)C)ncnc32)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 2356653302 AOXPNTGIUBBQAS-FVLCUVFVSA-N 551.913 5.394 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)CC3CCCCC3)C2)[C@@H]1CC(=O)O 2356672243 BFSIVCYSFHTQQN-ZZTJPIOCSA-N 692.044 8.617 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356702907 BGBRAXXCZRMUGX-YLPFEBNSSA-N 858.129 5.625 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356774702 CLMBVWJIFSVUGQ-MVDIVYAQSA-N 964.349 6.502 50 1 KKGF CCC[C@H](O)C[C@H](O)CC(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@H]5O)C1(C#CO2)CCCC1 2356819207 FACUTDSVHHLLCT-DAIMZCMPSA-N 837.077 5.801 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](OCCO)CC[C@H](NC[C@H](C)O)C1 2356819567 FCZKGQDGEVIGJR-UVAOXWJPSA-N 921.280 5.300 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@H](C6CCCC6)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(C)=C2OC)[C@H]5C)c1 2356822894 GGSRNDDOYNSNRA-XWPXFINESA-N 840.249 11.526 50 1 KKGF CCCCC[C@H](C[C@@H](CCc1cc(OC)c(O)c2c1CSSCN[C]1C=C(C=CN1)C2)OC(C)=O)OC(C)=O 2356849459 FOQFWLURLSHAGS-DNQXCXABSA-N 577.789 5.685 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CCC[C@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4C)c1 2356871582 YCFNLGAMBHKACX-ACWZXHRPSA-N 710.015 7.573 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)Nc4ccccc4)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 49599835 HMJGFKDCNLLJRA-MYQSOYAWSA-N 695.894 8.050 50 1 KKGF CCCOc1c(C(=O)N/N=C(/C)c2ccsc2Br)sc(C(=O)N/N=C(/C)c2ccsc2Br)c1OCCC 49710982 WOJDQEAGOLFMQF-JEGUCOMDSA-N 690.505 7.282 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2ccccc2)cc1)C(C)(C)C 49722992 SGFNOMILCNTPRY-IBHRRMRLSA-N 692.857 5.096 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@@H]4[C@H]2O)O3)c(O)c(OC)c1O 85567669 OVIXSLUMGONREA-NFQSDVGYSA-N 712.883 6.128 50 1 KKGF biogenic,in-vitro CCCCn1nc([C@@H](CCC)CCBr)n(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1=O 95545479 IPDKNWWOWDROHW-BHVANESWSA-N 780.815 9.723 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Cl)cc1Cl)SS/C(=N/c1ccc(Cl)cc1Cl)OCCN1C(=O)c2ccccc2C1=O 95615744 JZRSOUHSAQGLOO-CFTRLRGZSA-N 788.518 8.982 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H](C#CC[C@]3(CCCC4(CCCC4)C3)NCOc3c4cc(c5c3O[C@@H](O)[C@@H]2C5)CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCO)c2C#CC4)/N=C(\N)N1 150348338 XVXHWAIPLDXFTI-SUNHRHAMSA-N 901.205 5.898 50 1 KKGF biogenic,in-vitro CCOC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 208135353 PVBDQCRWZPYKOP-UZLGTAQGSA-N 569.641 5.263 50 1 KKGF CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1)OC(=O)N(CCCl)CCCl 253633962 PHMVJSWULBLUSV-KLCNXSEUSA-N 835.139 14.872 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cnc3ccccc3n2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253682428 CKPJCFKFLBFNMI-UJKUOHMNSA-N 625.549 5.790 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@](O)(CBr)C[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299843337 CLNSNWKRDSPCEI-ZJHGATROSA-N 980.040 6.533 50 1 KKGF O=[S@](CCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 586957628 AESILFBXPSOEKM-HHHXNRCGSA-N 568.225 7.486 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)[C@@H]1c1ccc(F)cc1 587324159 WQAHIAFEYPSKDQ-XRKRLSELSA-N 515.378 6.752 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(-c3sccc3Br)cc1)O2 587412291 YKHDXPFHSCEUNL-OAQYLSRUSA-N 507.247 6.324 50 1 KKGF O=C1C[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2c1ccc1c2CCCC1 587499598 NSSJIEMHDQYDDZ-SSEXGKCCSA-N 544.445 6.654 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(F)c(Br)c1 587557154 LZJXHJRDSFBAOR-GHTZIAJQSA-N 508.137 5.546 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br 587558252 VWHSIOCCJNLDQJ-IERDGZPVSA-N 577.027 6.811 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587858298 PYQBLERTJUONJE-MVJQZIEYSA-N 606.001 7.177 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCCCCl)(c2ccc([N+](=O)[O-])cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963076419 HEBSTCBZKWOURR-OLBRMRTOSA-N 797.197 9.204 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1c(-c2ccc(Cl)cc2Cl)noc1C 963842268 WUCJWFWHQHRTQX-GDJIYFAZSA-N 624.359 7.540 50 1 KKGF Cc1c(C)c2ccc(OCCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2oc1=O 1857745003 MXFHWECVAKYPKD-OIWPXIGPSA-N 514.615 5.403 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356294212 AQRCUZINRQQULQ-SJWBFUHRSA-N 645.803 5.195 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCCCC2)[C@@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356313176 TYDFSQYJSJKOBX-BLFFMWMQSA-N 684.021 7.566 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@@]5(O)C2(CCCC2)[C@@](CO)(NC(=N)N)CSSC3)O1 2356345735 ZHLWYAMGNIPKON-ZNUDRUKESA-N 764.967 5.549 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356349401 DXKBGPCPTODFGM-GXKQTGHDSA-N 688.063 6.471 50 1 KKGF CN[C@@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NCC(C)=O)c(CO)c1 2356358503 QEUHONDCRFMHOK-YRRNFEEISA-N 744.976 8.241 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356421768 SMNVVRZIRDYUBB-WHUOKJDASA-N 910.293 8.123 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356442545 GVGPLUOYFCBFKB-WQHAVCNMSA-N 739.960 7.762 50 1 KKGF CC(C)=CCC[C@@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@@]2(C)CC[C@H]1Br 2356520599 RZJNPKNBRGXJBV-YJUCRQDESA-N 505.493 6.536 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)CNCC 2356762220 IMFJJUNWTSZUJV-FDWGWWLTSA-N 701.005 6.173 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356777724 CDLJSPAPJITIQM-PTNCWPEESA-N 813.000 5.505 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)OC[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356780541 YTHGXSOWWNYEHD-YXRJCNFXSA-N 765.055 5.763 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356809749 ASSYQPXIDJTPOE-XKGFKZLDSA-N 639.968 7.292 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356835632 KTQCMUKAFVVATP-GNNSLMJISA-N 896.053 6.383 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@]3(C=O)OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356863262 UQIKUJWKBDKKDO-YQHLSJMBSA-N 967.132 5.542 50 1 KKGF N#Cc1ccc(C23CC4(C2)[C@@H](c2ccccc2)N(P(=O)(c2ccccc2)c2ccccc2)C[C@@H]4[C@H]3c2ccc(Cl)nc2)cc1 8860371 YKIKXPLPCGCMKF-MHKXILBSSA-N 612.113 8.024 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@H]1CCSS1)O2 27436353 ZFWOHCPEQUNEBA-WTYVLRPYSA-N 528.740 6.692 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1)c1ccccc1 27634247 IZQATUACKCNHGN-QFIPXVFZSA-N 569.839 5.200 50 1 KKGF O=C(NCCNc1ccnc2cc(Cl)ccc12)N/N=C/c1ccc(O)c(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O 28642346 FCIHFKPTZSJTPV-XLDFTUSDSA-N 659.578 5.568 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@@H]3C=CC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 85567820 UIPOWAZXHADFPA-JPYFWSMLSA-N 634.816 7.519 50 1 KKGF biogenic,in-vitro CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccc(O)cc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 102921311 XCJINWZVZXFXCJ-PRAYGHOYSA-N 521.429 6.285 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](C[C@@]3(Cc4cccc(F)c4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169359292 CSXMYAHZUIGMRS-GVZRLMMFSA-N 656.744 5.906 50 1 KKGF C#Cc1ccc(NC(=O)O[C@H]2C[C@@H](C)C=C3C=C[C@H](C)[C@H](CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O4)[C@H]32)cc1 205090579 HWWVAOJWOSZHRO-FIBNWJQGSA-N 577.838 7.866 50 1 KKGF COc1cccc(/C=C\c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c3cc(Br)ccc3n2)c1 587004849 ZQXFDYNIXNBIDX-ALCCZGGFSA-N 661.288 10.140 50 1 KKGF CCC[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200075 XFPFGFDGIIBGPS-DEOSSOPVSA-N 630.477 9.705 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325552 YRGFAEQYAOXEIX-FQLPYIGMSA-N 564.868 7.082 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)c(F)c(F)c(F)c1F 587556293 NYYCJQORKUTIGV-ASSNKEHSSA-N 501.201 5.340 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587689707 VCWUVFVOGDTXLP-MQNRADLISA-N 505.859 6.411 50 1 KKGF C=CCn1c(C)cc([C@@]2(CCl)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1C 962638419 ZKZPIYGQGZSBSY-HOFKKMOUSA-N 501.023 5.222 50 1 KKGF BrC(Br)C1(C(Br)Br)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962643960 QQCMCXRCIXMNOP-MRXNPFEDSA-N 608.010 5.861 50 1 KKGF ClCCCCCn1cc([C@]2(c3cccc4ccccc34)c3ccsc3CCN2Cc2ccco2)c2ccccc21 962719425 XWZKYSSZEKUSIO-DHUJRADRSA-N 565.182 9.208 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCl)([C@H](CC(C)C)NC(=O)OC(C)(C)C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364456 FJXFRDRTIAXJFY-WXLVEAMESA-N 663.211 7.115 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1\C(=O)c2ccccc2[C@@]12c1cccnc1CCN2C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963587835 XTWIYLVMWFDJQP-MQXZNJMPSA-N 675.667 6.007 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc(CNC(C)=O)s1)([C@@H](C)Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772815 AJWWZFBNGZWNNW-BJLXPSRBSA-N 580.106 5.021 50 1 KKGF COc1ccccc1-n1nncc1CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c2nc4ccccc4nc2c2ccccc32)c2ccccc21 1772641828 BHRUIBWDEYNKHQ-QNGWXLTQSA-N 628.652 5.445 50 1 KKGF COC(=O)c1coc(Cn2cc(C[C@@H]3C[C@H](CCc4ccccc4)C[C@H](O[Si](C)(C)C(C)(C)C)C3)nn2)n1 1857579548 HNUZCBONGBFTRB-LSQMVHIFSA-N 538.765 6.083 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OC 1857608918 CCJGXDACMMKOKT-MGPFPDDXSA-N 617.863 8.490 50 1 KKGF C=C1C=CC(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1 1857628153 QSEMYQVVFCUPPF-DQJDDEFWSA-N 732.051 5.933 50 1 KKGF CCC[C@H](NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCOCC2)cc1 1857764278 BXEUMBAQCNZQHQ-PITZYVMOSA-N 519.045 5.164 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356359080 CSCFJGDLHRKYND-AGHVAEONSA-N 847.147 5.017 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@@](O)(CCCCO)C2CCN(CCCOC)CC2)O3)O1 2356435621 IDPGXIHUIDHSMJ-JXNWYAEMSA-N 915.090 5.206 50 1 KKGF CC[C@H](C=C[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]5O[Si](C)(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356653512 FUWBZRNBUHDSFT-CJLOPCFVSA-N 863.575 13.062 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)[C@@]34C=C[C@]5(OO3)C(C)(C)[C@H](OC(=O)CO)CC[C@]5(C)C4=CC[C@]12C)C(C)C 2356722617 LMEMBPKCZMYYLN-UGYVVKLVSA-N 572.739 5.143 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2)N1 2356738615 OUUUTIPUESMCTM-LUUJIMKXSA-N 821.119 7.459 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@H](CC)C1)C4 2356769692 LFPJUMCZUPGENK-LRVZXNFISA-N 871.037 5.093 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC[C@]5(CCC6(CCCC6)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356776335 FJNUYMDORMOUSP-LKXXOQJASA-N 970.301 7.137 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356820288 FJBOHLHWNLIVHH-BIBXJSDQSA-N 985.415 9.881 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 49767240 ZLOXQZINHCIILJ-WXMAUWIXSA-N 521.248 6.934 50 1 KKGF CC(C)OC(=O)Nc1cc(COC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3ccccc23)c1 49889476 FJWUBFPJSRBHHE-UHFFFAOYSA-N 660.602 9.121 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@@H]4[C@H]2O)O3)[C@@H]2CC=C[C@H](C2)SS5)c1O 150342863 FVDLGYMWJDQUNK-GKKOXLKVSA-N 819.051 8.243 50 1 KKGF biogenic,in-vitro C=C(c1ccc(Br)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 169356048 VOCYDUBRMCGVMY-JPXXDDFWSA-N 627.748 10.627 50 1 KKGF O=C(Nc1ccccc1)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587245411 XTSOWRKOWINTCJ-UHFFFAOYSA-N 518.305 7.902 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)[C@H]1c1ccc(F)cc1 587320989 HUEGVSIHZNZZCH-XDFJSJKPSA-N 551.411 8.078 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCOCC1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332891 KHNXYVCDIQRSQX-GWJWITRGSA-N 536.962 5.274 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2I)[C@@H]1c1ccc(F)cc1 587340546 VERUVAAUXUYAKL-IRLDBZIGSA-N 632.061 6.548 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc([N+](=O)[O-])cc1Br 587538601 PXUUJLBONNQKCU-GHTZIAJQSA-N 535.144 5.315 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 587539712 XRPKECBVTJTIMU-XUZZJYLKSA-N 547.188 6.606 50 1 KKGF CCCCC[C@@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)OCC[C@@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)CCCCC2)nn1 621431827 PGNMARIWMRNWRY-FXLPFWNZSA-N 919.027 7.616 50 1 KKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963030665 ZUWQTHBXGLRTPS-LXWOLXCRSA-N 604.303 6.987 50 1 KKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963137922 HKNOWIXSMPQJJY-BCHFMIIMSA-N 537.078 5.103 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963221038 JTANPMUVNFAVCR-WLMPYFOXSA-N 785.560 6.136 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](/C(C#N)=C/C=C\c2ccc(OC)cc2)(C(C)(C)C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963366463 LRIZSXSWTUHKTD-JFNDYZLRSA-N 668.790 8.154 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc3c(c1)OCCCO3)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772831 AOBQHPXTZNXMOO-HKBQPEDESA-N 605.485 5.253 50 1 KKGF COc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1[C@@H](CN=C=S)c1ccc(F)cc1 1911584693 JFTYIFAAACMYKJ-MDBQKXLBSA-N 564.635 5.595 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356358748 WDVBKYSAIBJKTM-GGKQPAMOSA-N 960.317 5.742 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2C[C@H]3CC[C@@H]4CCC[C@@]4(C2)C3)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356441456 SPJQVTXBHYCVFU-LUPKXKJISA-N 793.193 8.730 50 1 KKGF C=C(C)[C@H](CC[C@]1(C)O[C@H]([C@](C)(O)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)C[C@H]1O)OC 2356475143 QDLARPIFFMRRKI-PDLMLBDJSA-N 617.662 5.614 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@@](CO)(NC(=N)N)CSSC4)O[C@H]21 2356511785 IFAFKNVDGXHZGD-AUJRKNGVSA-N 791.005 6.254 50 1 KKGF CC1=C[C@H](OC(=O)c2ccccc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@]2(C)O[C@@H]2CC1 2356601496 XIMCRDWINCBROY-XTGIGYGRSA-N 681.782 7.178 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)CCC=C(C)C 2356686698 PHUVQXFPKGYDKS-JRHULHRVSA-N 557.816 5.604 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356820291 FJBOHLHWNLIVHH-VAZJLWTISA-N 985.415 9.881 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356826957 HLYLJCVMIVHGHV-WVWNRJNMSA-N 851.193 7.140 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356868371 XATKKZWUGKUMKV-ANIKGXTJSA-N 897.173 5.747 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356870765 XUOFESWFNVWVMM-LKLKNTFCSA-N 824.206 11.106 50 1 KKGF CNc1cccc(CN2C(=O)N(Cc3cccc(NC)c3)[C@H](Cc3ccccc3)[C@H](O)[C@H]2[C@@H](Br)Cc2ccccc2)c1 14943313 UOECQLBVYVAMQL-YLWZKEKXSA-N 627.627 6.555 50 1 KKGF CO/C(O)=C1\C(C)=NC(C)=C(C#N)[C@H]1c1cc(N/C(=N/[C@@H](C)C(C)(C)C)NC#N)ccc1OC(F)F 38972185 XQBIVCAQJUZOIE-MVQGBCMBSA-N 500.550 5.333 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C=O)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 49672466 RRXNGBYVIKSJGO-XLGUZLMPSA-N 662.911 8.865 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@@H](O)[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@]23C)C1(C)C 49898562 PNIOLRUIMUJAKL-MZOLOXAHSA-N 759.210 12.781 50 1 KKGF C[C@@H](C(=O)OC[C@@H]1C[C@H](Cl)C[C@H](c2cccc3ccccc23)O1)c1cccc(C(=O)c2ccccc2)c1 96914012 NGBHIVGGNZOOAA-MQGQQMBBSA-N 513.033 7.245 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(F)cc1 103950309 FHQXNSOJDHPYCF-GOSISDBHSA-N 524.358 5.065 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)C[C@@H](OC)O[C@H]1CC(C[C@@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@@]32C)=C1C=O 136425212 DRFPZBVYKVDYOL-LEYMYUARSA-N 618.943 10.137 50 1 KKGF CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@H](CSSC[C@@H]1O2)C5)CC#Cc1nc(N)ccc1[C@@H](CCc1ccccc1)[C@H]1CC[C@]4(Cc2cc(O)cc(OCO)c2-3)C1 150343178 HTCGGRFEZQJPEP-HNOCCDHASA-N 1004.280 10.455 50 1 KKGF biogenic,in-vitro CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SSC[C@@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344185 DDTKQMAZUZNVSN-SVFHPBRLSA-N 763.982 8.157 50 1 KKGF biogenic,in-vitro COC(=O)CNC(=O)[C@@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1cnccn1 169299390 HUHOPSLEQWXOAW-WAFCKKEWSA-N 855.039 5.638 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H](/C=C/S(=O)(=O)c4ccccc4)CCc4ccccc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169354334 FPGRRYOXKUDARY-DTJBLBHESA-N 849.059 7.858 50 1 KKGF CN1CCN(Cc2ccc(-c3c(-c4cccc(OC(F)(F)F)c4)cc4n3[C@@H](CCCl)CNC4=O)cc2)CC1 207203703 DKGRYLGTOXMKFX-QFIPXVFZSA-N 547.021 5.382 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299823694 SMTKDYGXTCYGPV-NZWNWWRXSA-N 957.332 7.746 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCC[C@H]3C(=O)OCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299857241 DZCJDMXQHZWSED-YDOUTGMUSA-N 885.093 7.054 50 1 KKGF Cc1c(Br)ccc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587056821 RYFPPILRTWRIDC-MHWRWJLKSA-N 500.227 7.412 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587231882 HDOQUTJAOGUJEN-UHFFFAOYSA-N 508.310 7.533 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 587320596 FVNYKVBMPJIEGX-GEEWNISJSA-N 596.290 7.685 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538920 SDQAMVPAHZIEQL-QNKLZXOUSA-N 577.515 6.998 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587544743 OXUDLCAJOJLYSS-KGPYPHOUSA-N 526.416 5.913 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)(F)F)cc1 587559188 ZLYQGAMVCTVFJM-RPLLCQBOSA-N 543.925 6.794 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 587672242 FGJSWHPZYRDOMK-RZFZLAGVSA-N 611.693 6.309 50 1 KKGF CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587682832 DSXFEDGVCCJDAF-LGDQPBPSSA-N 681.039 6.679 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 587737870 HXMSHRZEHCGHNO-LFPIHBKWSA-N 613.696 6.441 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(N[C@H](C)Cc6cc(Br)c(F)cc65)C(C#N)=C[C@]34C)[C@]1(C)CC2 587741782 PDBOAUQQSYJESI-BBXOEGAESA-N 719.780 9.141 50 1 KKGF COc1cc([C@]2(CBr)NCCc3cc(-c4ccccc4)ccc32)ccc1I 962667765 MVQUAMIOCMSVDK-QHCPKHFHSA-N 534.235 5.751 50 1 KKGF COc1cc2c(cc1OC)[C@@](CNC(=O)CCCl)(c1scnc1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679029 OZKPBHWQBATTJQ-SANMLTNESA-N 582.044 5.175 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@H](C(=O)C(F)(F)F)Cc2ccccc23)C1 962775357 ZMOBZEPUHFCKHK-PIMQYWNJSA-N 655.539 6.837 50 1 KKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089302 GUZABRATOGOKBI-BMQPFVSWSA-N 651.228 7.536 50 1 KKGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(CBr)c1ccc2ccc3cccc4ccc1c2c34 963636733 RVHRAFBUFSXBBN-JWRCQZCYSA-N 500.436 6.774 50 1 KKGF C(=C/c1ccc(OCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1 1857538565 VELADOUTUKJNBZ-BYYHNAKLSA-N 569.749 9.571 50 1 KKGF COc1ccc(/C(C#N)=C/C(=O)OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)cc1 1857580449 DIOQNWAZLSDPSV-URUXSBGHSA-N 693.881 8.705 50 1 KKGF CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(O)c(OC(=O)CCCCCBr)c4)=C2OC1(C)C)C3=O 1857586065 ALERDEDHRRSZMR-XYBQXFIISA-N 779.853 10.744 50 1 KKGF CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(C)cc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1857626977 OYDKXYDHRFNUTK-IVVLZDQQSA-N 956.103 5.335 50 1 KKGF CC(=O)OC[C@@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3[C@](C(=O)OCC(=O)N/N=C/c4ccc(Cl)cc4)(CC[C@@H](C)[C@@]3(C)O)CC[C@]21C 1857656235 YNGSPNQVPCLBOG-BDDCEIQISA-N 781.387 6.760 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356332973 KXBWTEDIJHYBBQ-OYVYTLMRSA-N 797.101 6.295 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@@H]2[C@H]3CC[C@@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)[C@H]6C=C[C@@]8(CCC[C@@H]8C6)[C@@H]7CNC[C@H](C)O)c5)cc4CO)C[C@H](C[C@H]2N)[C@@H]3CC[C@H]1C 2356355140 BYOYATFDDOHPHP-VOJSALELSA-N 973.404 8.453 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H]([C@H](CCCO)SSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356368977 CCBGRQXYODMXPV-PXOKMBJSSA-N 703.024 5.751 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@H]6CC[C@@]5(C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356473575 JVALCPRTFRUDPB-YYAUGQOPSA-N 891.375 14.222 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](CC[C@H]3[C@@H]1O[C@@H](c1cc(O)c(O)c(OCCc4cccnc4)c1)C[C@H]3OC(C)=O)SSC21CCCCC1 2356527665 FZZRIEDNTMQDOE-HPVUBBQXSA-N 847.113 8.121 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)CO 2356633214 QDFRJCCLDQVLHD-UQVNRYHBSA-N 549.278 8.424 50 1 KKGF C=C1C[C@H](O)[C@@H]2CCC[C@@H]3C[C@@H]4C(=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]45C)[C@]4(O)[C@@H](CSSC[C@@H](n5ccnc5)CC1(C)C)C[C@H]2[C@@]34C 2356661900 USFHGDQPMJDEOU-OOLMWLEZSA-N 670.982 6.000 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@@H](O)CSS2)c1ccc(NCC(C)=O)c(CO)c1 2356710845 XHKHKSSXYJREOX-SMDLZWROSA-N 760.975 7.212 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356731468 OKDFDEFIZYEHIN-WAZNZCAGSA-N 859.212 8.956 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@@H](CCOCNC(=N)NC)C3)c2)N1 2356752878 AQTYFCNUFCNIEV-FRRIJEGYSA-N 798.089 5.778 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@]2(O)CC=C[C@H]4CN(CCCOC)CC[C@@H]42)O3)O1 2356773424 ZBMHFLSUXAMSHG-CETNJIHSSA-N 881.032 5.229 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CCC(Cl)=C(C)C)[C@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(Br)cc(Br)c1O 2356805169 VFDRWRLRZIENRT-KJUPKDBESA-N 637.722 9.925 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@H](CN8C(=O)C=CC8=O)C3=C5C(=O)O6)N7)[C@H]42)CCCC1 2356833629 KIEIBQVLGHHWFI-TVRXWLCUSA-N 933.250 8.304 50 1 KKGF CSc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 5801053 MZEOSUJBQDYSCH-RTWAWAEBSA-N 600.742 7.401 50 1 KKGF O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N2 17414056 IZYGMLSUEPIQQQ-PDDXABJKSA-N 525.970 6.240 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc(Cl)cc34)cc2)N1c1ccc(Br)cc1 49695427 MONNIKNIIQANRH-DNQXCXABSA-N 545.216 6.483 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccccc2F)cnc2ccc(F)cc12 49766567 WFXDAWRAIKOQSI-VOCYLCSMSA-N 547.631 5.328 50 1 KKGF CCOC(=O)C1=C(c2ccccc2)N(c2ccc(OC)cc2)C(=N)[C@@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N 71317653 BMDRQCWSJASDGQ-AREMUKBSSA-N 524.360 5.061 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccc(Cl)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84714546 ACDRUEJEOIIYDI-GBBLVPQKSA-N 578.075 5.575 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 96283548 TYPOEGKKNRVGPE-JEPNHJGPSA-N 575.616 6.334 50 1 KKGF Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)[C@@H](F)Cl)cc2)cc1Cl 103204380 HRHINVAWTUYFRC-HXUWFJFHSA-N 536.765 7.830 50 1 KKGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCN(c5ccccc5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 103292660 SOJJASOXCVABCW-RIKRVUPESA-N 628.608 5.852 50 1 KKGF O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)[C@@]4(CC[C@@]5(CCC[C@@H]5CCO)C4)C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 150344702 ORAGVSHRFNUSCK-ODRXAMLNSA-N 887.086 5.174 50 1 KKGF biogenic,in-vitro 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953.189 5.753 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C3CCCCC3)CSSCNC3=CC(=CCN3)C2)CCCC1 2356872974 ZCIMKMCQXIYIOQ-BXKWDAJGSA-N 701.011 9.157 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)N(CCCCNC(=O)OC(C)(C)C)CCCNC(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49780597 WQMMYZPABVXIQD-LQYHIAJLSA-N 653.858 5.675 50 1 KKGF N#Cc1c(-c2ccc(Cl)cc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 96933463 XSLUWYIHOGVUOP-RPBOFIJWSA-N 526.383 6.218 50 1 KKGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCN(c5ccccc5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 103292662 SOJJASOXCVABCW-FDFYASRQSA-N 628.608 5.852 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](N[C@H]1CCC[C@H](CCO)C1)CSSC2 150343761 CQUAMQAGDKSUGH-IPPCTZKNSA-N 898.244 9.258 50 1 KKGF biogenic,in-vitro 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C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356835633 KTQCMUKAFVVATP-OJEHCQCGSA-N 896.053 6.383 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@@H](Cn2ccnc2)SSC1 2356866922 VPJDBWUZIAVVBM-IWWHLEEHSA-N 594.803 5.355 50 1 KKGF CSCC[C@H](N)CSSC[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 14243983 QXXMSEVVNUSHKJ-AWCRTANDSA-N 582.857 5.778 50 1 KKGF O=C(N/N=C/c1ccc(OCC(=O)N2CC=C(c3ccc(Br)cc3)CC2)c2ccccc12)c1ccc(O)c(Cl)c1 27638820 FHRAXOLBKQYCAJ-FABQOPTDSA-N 618.915 6.420 50 1 KKGF Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(Oc3nc(Cl)c(Cl)cc3Cl)c1)C(C#N)=C(N)O2 84757265 ZTPVKVQMUVOARA-OAQYLSRUSA-N 524.795 6.546 50 1 KKGF CC(=O)O[C@H](C/C=C(\C)[C@H](Cl)C(Br)Br)[C@@](C)(Br)CCl 86000685 DTCZNJROCVEBBU-IDMNJFIWSA-N 503.884 5.370 50 1 KKGF CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCc4cn(CCC[P@@](=O)(F)OC)nn4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 95539259 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O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 587537812 KNBABFMYSBUGRA-JTSJOTPCSA-N 584.422 6.477 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557744 SREFBRYFUVRUFJ-QZUZYHOHSA-N 623.117 5.679 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 587712155 OENUOBFZKYTGLO-HUTHGQBESA-N 560.021 6.542 50 1 KKGF CCCCCCCCOc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)cc1CBr 587874553 BJGMPKSZEMOTDX-UHFFFAOYSA-N 583.394 7.541 50 1 KKGF CCCC[C@H](CC)COc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OC)cc1CBr 587874771 GJWZNWHSPVUBJC-FQEVSTJZSA-N 583.394 7.397 50 1 KKGF CC(=O)[C@@]1(O)[C@H](Br)C[C@@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)NCCc1cc(C)c(F)cc15 962300823 QHEIAMWTVUQICK-MVCNFZEMSA-N 544.549 6.131 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(C3CCC3)[C@@H](C)Br)c(O)c2C(=O)O1 962962927 DJIVFRFYLKIAJF-GQSVMEPKSA-N 576.871 5.078 50 1 KKGF Cc1cc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)c(Cl)c1 963028663 XUHNJHPZTYIKOD-AKGWNBJDSA-N 624.927 7.655 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CBr)(CC[C@H]2CCCO2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041918 ZSVVULDFTKBHCI-NESADOAFSA-N 626.494 6.775 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@H]([C@H]2C(C=O)=CC[C@H]3C(C)(C)CCC[C@@]32C)N1 963163822 RUVDXKAPQWRHSS-RYWCRWOWSA-N 653.867 7.986 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963171346 JKJIODIQGYRQHL-KLJDGLGGSA-N 586.920 7.814 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCl)(c2ccc(OC(F)(F)F)cc2)N1 963191095 YLDSGTGSOFBDOT-AZUAARDMSA-N 530.292 6.509 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cc1 963202474 ZMQLBHRTYYKXNH-PSUQPPDWSA-N 612.826 5.865 50 1 KKGF COc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857573191 JZBUJIJMBPVHSN-LIURGLFXSA-N 683.720 7.862 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857656720 TWNBMRALTHEHOI-LDWPZCJESA-N 944.121 7.325 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c1 1857764192 RRTAWWHTKIGTCB-YPXUMCKCSA-N 563.181 5.832 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1C(C#N)=C(N)N(Nc2ccccc2)C2=C1C(=O)CC(C)(C)C2 1911582364 ARXLXGLZWODCCO-SSEXGKCCSA-N 574.660 6.876 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356366059 YSRSDEHLBILRDM-GUUNFRCQSA-N 887.266 9.833 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSSC[C@H]([C@@H](C)O)CCc4ccccc4Cc4cc(O)cc(c4)C[C@@H](C3)C2)C1 2356439783 CLYXUWLNKQSFPB-NFSQBRGWSA-N 564.901 8.875 50 1 KKGF COC[C@H](COC(C)=O)N(C)C(=O)CCC=CCCCC[C@@H](Cl)CCCCCC(Cl)Cl 2356455817 JBEYLLUXESVNSE-NHCUHLMSSA-N 500.935 6.281 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356563221 SRWDJHBXGAJNAG-KIHYPCIMSA-N 899.277 9.440 50 1 KKGF C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356593173 ZGBUZWCVDVGBIE-UDKFEZOLSA-N 569.953 7.100 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@@H](O)C1 2356609433 AFQCFHZNGHTGNS-BLGNVBLISA-N 869.122 7.348 50 1 KKGF CC=CC=CC[C@@H](C[C@@H](CCCCCCc1cc(O)cc(O)c1)SS[C@@H](CCCCCCc1cc(O)cc(O)c1)C[C@@H](CC=CC=CC)OS(=O)(=O)O)OS(=O)(=O)O 2356637743 CXWSWAOHTLBFGD-RTYOPHJZSA-N 887.214 10.515 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356771455 YAWSGAKNUKJJGF-UMNCOUBFSA-N 915.177 7.499 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CCC7(CCCC7)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4CO)c1 2356841136 NFCFCKOCJHZDCC-VVZOWAKASA-N 780.106 7.716 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@]12O)[C@@]3(C)[C@@]12C[C@@H]3Cc5cccc(c5)N[C@H]5[C@H](CCC[C@H]5O)SSC[C@@H]3[C@@H]1CC[C@H]4C2 2356847146 OUCLSZGZFLLDDT-JHBACPDISA-N 623.925 6.368 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356850591 PRHYOXDKQZSNIA-UPTHHLMRSA-N 836.133 8.699 50 1 KKGF O=C(NCCc1c[nH]c2ccccc12)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8018727 JAMBXNGZNZANBX-LHHUKBANSA-N 533.612 5.723 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O 85511197 SYHWJNTYSOQCHD-BNTSDXDESA-N 732.914 5.310 50 1 KKGF biogenic,in-vitro Cc1c(-c2ccc(OC(F)(F)[C@@H](F)Br)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C 103206902 CPEGPXDREMNXQN-OAQYLSRUSA-N 560.798 7.641 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@@H]2O3)CN2C(=O)C[C@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)[C@H]2CCC(C)C 150348720 MLBULSUSYUHRNW-VAZGHICBSA-N 761.108 7.252 50 1 KKGF biogenic,in-vitro Clc1ccc2c(c1)N(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1S2 299824780 XEQPAKSPZOZOEW-UHFFFAOYSA-N 537.088 8.327 50 1 KKGF COc1ccc(C(=O)/C=C/c2ccc(C(=O)O[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c(OC)c1 299858825 UMFRVKMKPVFWQF-OVZZUMEZSA-N 578.658 5.965 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587257873 SDSVRKTWBZDORO-SIBQOMCCSA-N 904.002 8.210 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327671 QUEUMQUXQXMNLX-FIBWVYCGSA-N 527.935 5.556 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)CC2=O 587497348 VSSVGHRXWJGNLA-AONNBLCTSA-N 580.190 7.915 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc4c(c3)OCCO4)c(CCl)c2c1 587618004 LIPFXESAUMMZDU-UHFFFAOYSA-N 529.958 5.063 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2ccc(F)c(Cl)c12 587630158 FZKKGGMWLJYKGC-RBYZUKBISA-N 650.546 6.870 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587670693 MOVYLOBUFPQJOT-BYJWKAGXSA-N 637.340 6.047 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587685257 OYQPJDOANMLOCJ-PWFNWSNSSA-N 592.292 6.144 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587854655 RQQGFFARHYDXPI-ZBSNKRKSSA-N 595.365 7.275 50 1 KKGF C[C@H](Cl)C[C@@H](Cl)[C@]1(c2ccccc2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045231 YAXQRTKCQOCJDE-KEMBAARRSA-N 636.522 8.094 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(c1c(Cl)cccc1Cl)C(Cl)Cl 963066290 ODPUKEPFKPXUSC-LZJCXSABSA-N 588.315 6.519 50 1 KKGF Cc1c([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)cnn1-c1ccccc1 963201864 SHQKIWKBJJUPRU-UWJYYQICSA-N 528.756 5.090 50 1 KKGF CCCCOc1ccc([C@]2(CBr)c3c(ccc(OC)c3OC)CCN2C(=O)C(=O)c2c[nH]c3ccccc23)cc1 963796933 VZKNUIKMESVEGT-JGCGQSQUSA-N 605.529 6.270 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]34CC[C@@H](C)C[C@H]4Br)nc(Cl)nc21 963916507 SWZLUBSAZINHES-SXHVTTPXSA-N 504.860 5.608 50 1 KKGF CCCCCCCCCCCCCCCCn1c2ccc(C(=O)CCl)cc2c2cc(C(=O)CCl)ccc21 1772583962 XXMDLZKBHFXBOR-UHFFFAOYSA-N 544.607 10.119 50 1 KKGF COC(=O)c1c(C)cc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1857537400 GZVVZLHEXGBNMS-UHFFFAOYSA-O 625.810 9.151 50 1 KKGF COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)CC(C)C)C(C)(C)C 1857592930 LNZMSRMWDHKCFQ-CTFQGTJTSA-N 818.029 5.136 50 1 KKGF CC(C)(C)c1cc(C(=O)NCCSSCCNC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 1857762238 VCZAUCVVCFGFPE-UHFFFAOYSA-N 616.934 7.829 50 1 KKGF CCCCC[C@H](C[C@H](C)O)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356306322 KUCLUCARBMVCOU-TWXOISGRSA-N 960.316 10.124 50 1 KKGF C=C(O[C@@H]1[C@H](C)C[C@]2(OOCC)C(=O)C(C)=C[C@@H]3[C@H](CC[C@]4(CO4)[C@H](OOCC)[C@@H]12)C3(C)C)c1ccccc1 2356358206 YFRWOSJDDKRGNG-ISTCSWNOSA-N 540.697 6.093 50 1 KKGF C[C@H]1CC[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356360464 GTSKBENVCHLGSC-GGZZFQKNSA-N 501.806 6.613 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356443115 APKCWRQIONZWTO-AQNKHBOKSA-N 829.132 5.654 50 1 KKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@H]12)OO 2356474590 YDANZQNAKUJCQB-SNXUVTRISA-N 500.676 5.498 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)[C@H]4C=C[C@@]6(CCC[C@@H]6C4)[C@@H]5CNC[C@H](C)O)c3)cc1CO)C[C@@H]2N 2356681151 ILYIZDVKGVZGKN-FYPOCBQBSA-N 947.366 8.207 50 1 KKGF CC1(C)O[C@@]2(C)CC[C@@](C)([C@H]3CC[C@@H]([C@@]4(C)CC[C@@H]([C@@](C)(O)CC[C@@H](O)C(C)(C)O)O4)O3)O[C@@]2(C)CC[C@@H]1Br 2356799167 UBZUCFVOKWMNDV-GJKHLFLGSA-N 619.678 5.574 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CN[C@@H](O)[C@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356849097 PSTJAZASTBICMV-BXSXVUIKSA-N 948.085 5.849 50 1 KKGF COC(=O)[C@H](C/C=C/C(C)(C)OO)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C 42876423 UXDZXRKJSZVQHR-GEMWEJHDSA-N 516.719 6.135 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 49863685 WCGDYOPDDDUSJM-WOFQIOHBSA-N 743.989 8.225 50 1 KKGF CCCCCCCCCCCCCCNC(=O)/C(C#N)=C/c1c(C)n(CCCN(C)C)c2ccccc12 49888726 REYPKTSJOJWCER-AZPGRJICSA-N 506.779 7.626 50 1 KKGF C[C@@H]1O[C@H](C=C=CBr)/C=C/[C@H](Cl)CC2=C(Br)C[C@H](Br)[C@@H]1O2 59061314 WWWLGURLJAZMJB-VEJVTJPJSA-N 503.456 5.550 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@](Cc3ccccc3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 150348699 ROXMFOMYRUUOPK-VFJMEQNWSA-N 917.336 10.541 50 1 KKGF biogenic,in-vitro O=C1C=C(SSC2=CC(=O)C(Br)=C[C@]23C=CNC2=C3C3=NCCc4c[nH]c(c43)C2=O)[C@@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br 150557657 DHEUJCSWBYWXHR-LQFQNGICSA-N 826.552 5.713 50 1 KKGF CC[C@]1(O)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@]5(OC(=O)N(CCCl)C5=O)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 169292386 MMRCWWRFYLZGAE-ZBZRSYSASA-N 884.471 5.043 50 1 KKGF in-man Cc1cc(Nc2ccccc2)c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2n1 169352611 SKTFTEXYXZBPHG-UHFFFAOYSA-N 508.453 7.215 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 254081034 XCXYVTYOGSYQQL-ZKIGBFCOSA-N 584.870 6.382 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326086 JTLMFSHSNUQEIA-LMSSTIIKSA-N 536.386 6.665 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@]2(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)N1 587691233 DMOFRUVUQAGCKK-KTQMCEEESA-N 735.518 7.631 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)N1 587719813 RHNZJLZUQMQRQI-GDWHVROMSA-N 669.047 6.652 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@H](c2ccc(CBr)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962566239 DXLMOSASGAGYMN-XRKRLSELSA-N 587.445 6.465 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@]21c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962572452 OXCSOMQMOCJOPA-UDFOBSKFSA-N 703.198 8.148 50 1 KKGF O=[N+]([O-])c1ccc([C@@]2(CBr)c3ccsc3CCN2Cc2ccco2)c(Br)c1 962700179 CDYAJNQMRNWLRB-IBGZPJMESA-N 512.223 5.709 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1)c1ccccc1 963000179 UMTGHQAHKNEEBJ-ZQWAWDFXSA-N 530.697 6.121 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(C=CC[C@H]3[C@H](N(C)C)c4onc(OCc5ccccc5)c4C(=O)[C@]32O[Si](C)(C)C(C)(C)C)N1 963179801 ZSSVAGHQBZTVEP-JSNVHGOWSA-N 902.181 9.565 50 1 KKGF COc1cc2c(cc1OC)[C@](c1ccc(Cl)cc1)([C@H](Br)c1ccccc1)NCC21CCOCC1 963188175 NBMCPHILQXIKHQ-IXCJQBJRSA-N 542.901 6.388 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(Br)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939246 VKMZSNIBIQWMFX-QWZLPZRWSA-N 737.580 6.225 50 1 KKGF CCCCCC[C@@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772627384 LJLORIMRLLORHA-FBDDSBDESA-N 647.765 8.571 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c(N)cc1C(=O)NCCC(F)F 1772642482 WYASSWDJLGZJAS-ONEGZZNKSA-N 501.537 6.215 50 1 KKGF CCCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857561389 JECQBHPHBSTJDJ-MSZGCMBCSA-N 591.528 6.220 50 1 KKGF CC[C@H](C)[C@H](NC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1)C(=O)O 1857626428 MLSUHMDZLFBKCZ-FSSCLSDQSA-N 602.813 5.166 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)c1 2356292318 OIZPIXIXKOCEQK-WDQKSSKLSA-N 948.217 8.036 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O 2356313752 XLWXSJGQPGEKIK-OBXSNEPZSA-N 688.828 5.645 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H](c4ccccc4)[C@@H]4CNC(=N)N[C@]34CCCC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356402269 CTPWPCXVZBRUFH-VRCUMPQJSA-N 623.929 6.053 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 2356443360 JGLSJPDQQYTORX-FKAPRUDGSA-N 669.771 6.145 50 1 KKGF COC[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@@H]3C1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC5 2356528288 SQQXCOREYNSZEB-QOUPJRCWSA-N 945.258 5.836 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@]1(C)CC=C1[C@@]23CC[C@]2(OO3)C(C)(C)[C@H](O)CC[C@]12C)C(C)C 2356670476 PSECKJIFRYHDDK-DDXKALDBSA-N 516.719 5.824 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356740577 TVIHWJYNGLYMIW-HBSUUSCPSA-N 887.174 8.885 50 1 KKGF CCC1=C(C=O)c2cc3[nH]c(c(C)c4nc(c5c6[nH]c(cc1n2)c(CC)c6C(=O)C5)[C@H](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)[C@H]4C)c(C)c3[C@H](C)O 2356812219 BIPZDMSBLSMZRQ-WUXNRVTNSA-N 799.069 11.436 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@@H]1O 2356816270 CZOCSPHIKWBHMW-BUFNYJMMSA-N 931.234 7.629 50 1 KKGF CCC1=CC2=C(C#CCc3c(CNC)c(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OC)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@H]2O4)C3)N[C@@H]1N 2356816612 DDDHUVIPEYAIHK-SGPQGUJQSA-N 957.272 8.982 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC(=CCN4)[C@]4(CCC5(CCCC5)C4)[C@@H]4CC[C@@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356820367 FKEBKLRZMAAWLL-UTIJRACUSA-N 871.087 5.158 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356822253 FTLABEDARYDBMG-HYSAGDLFSA-N 853.209 7.060 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 26577319 RFNUTMXSNZMOSL-UOPCVZPCSA-N 718.795 5.656 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 43569654 RQMMAKNVCFTEBS-FHIVQMTGSA-N 562.879 10.173 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(OCC)cc1)C(=O)Nc1ccc(C)cc1-2 44031853 PNMOGABNWMYHGM-MYQGXGEKSA-N 551.307 7.268 50 1 KKGF CN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](C[C@@H](Cl)[C@@H]3O)[C@@H]21 49768128 IFFJFFGUYVZDEJ-AUBFVCSWSA-N 518.182 7.042 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@H](CC[C@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c1O 85567702 VTOVHCQPESIXOQ-FBAFYKKWSA-N 736.949 8.003 50 1 KKGF biogenic,in-vitro COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1sccc1Br)C(=O)OC)NCCC(=O)c1sccc1Br 95546970 BJVDVNXMVFORSY-QZTJIDSGSA-N 730.588 5.604 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Nc1nc(NCCNc2nc(Nc3ccc(C#N)cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)n2)nc(Nc2ccc(C#N)cc2)n1 95562496 CCBIOAOALPMZJZ-KQQUZDAGSA-N 790.900 8.606 50 1 KKGF C[C@H]1CC=C[C@]2(C1)C[C@H]1CC#Cc3c(O)cc4cc3C[C@H]3C[C@H](C[C@@H]2[C@@H]3C1)[C@H]1CC[C@](C)(CSS1)NCc1ccccc1C4 150360357 CZAFIFNHLPVCMR-DOYHAONFSA-N 623.972 9.328 50 1 KKGF biogenic,in-vitro CC(C)=CCC[C@]1(C)[C@H]2CC[C@@](O)([C@H]3Cc4cc(C(=O)O)ccc4O3)C[C@]2(C)CC[C@H]1Br 205748927 RZJNPKNBRGXJBV-BAHAWPTLSA-N 505.493 6.536 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C=CC2=C4CC(C)(C)CC[C@]4(C(=O)OC(=O)[C@]45CCC(C)(C)CC4=C4C=C[C@@H]6[C@@]7(C)CC[C@@H](OC(C)=O)C(C)(C)[C@@H]7CC[C@@]6(C)[C@]4(C)CC5)CC[C@]23C)C1(C)C 255252241 OETSCDNEBPSEFP-YEWXJKGWSA-N 975.449 15.363 50 1 KKGF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)N2 587031738 PEMQASNJALCAKZ-UWZPUTRXSA-N 575.448 8.110 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 587319554 CCSANSHQBFCKCU-IFMALSPDSA-N 506.165 5.943 50 1 KKGF Nc1c(Br)cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Br 587321366 JESBPARLLHZFLB-SIKLNZKXSA-N 600.076 6.288 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 587328865 WEUIOPYAMDRYPD-IGYGKHONSA-N 534.027 6.694 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335245 JMIOCUKCLJBLMN-YTMVLYRLSA-N 627.837 6.861 50 1 KKGF CC1=C([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 587720712 UGRAIKGROBWRGL-BYMPUMFKSA-N 606.979 6.854 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2scc(Br)c2Br)N1 587844083 LZNZRISXDWEHSC-MLXNANBUSA-N 532.498 6.191 50 1 KKGF C/C=C/Sc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653700292 SQXDIOMRIBULLX-OPSHCTFASA-N 552.871 5.964 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C(C)C)cc1C(C)C)([C@@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671502 DQVMLLSSWIJHDN-KTBRYMIGSA-N 588.110 8.539 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1ccc(Cl)cc1Cl 963138530 GSRPLJDUDHJHFD-KUHUBIRLSA-N 522.248 5.335 50 1 KKGF O=C(Nc1ccc(C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 1857561086 VMNQFFNHDUPFDW-UHFFFAOYSA-N 580.748 5.852 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4[N+](=O)[O-])cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4[N+](=O)[O-])cc23)cc1 1857749232 USBYWIOMCPHGLG-PFUSVQNESA-N 718.730 7.482 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(=O)c3ccc(C(=O)C[C@@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911570705 LOMRXMVDZARJGA-PLLCVHQQSA-N 694.862 7.333 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)C1(CC=C(C)CNCC)CCCC1 2356351759 FNTNGYWKQSXXRR-XXCIKJQDSA-N 650.945 5.342 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](c3cc[nH]c3)[C@H](C[C@@H]3C=CC=C[C@@H]3C)[C@@H](OC(C)=O)CC(=O)C2)cc(O)c1O 2356373762 HNKFBPJOSIKFOX-GYJCIZIISA-N 571.761 6.363 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@](NC(=N)NCCO)(CSS[C@H]3CC[C@H]12)C4 2356374378 UUXFDLVJUADWSM-PGVTXRNFSA-N 809.020 5.781 50 1 KKGF CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(CC3=C[C@@H]4[C@H](C(C)C)CC[C@@](C)(OO)[C@@H]4CC3)C(=O)[C@@]1(C(=O)C(C)C)C2=O 2356437029 DXFWUAWSMRONLI-QGRZRXRKSA-N 773.152 12.390 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356440251 SWCLCJACYNBTKI-LOHGQIFLSA-N 919.216 8.422 50 1 KKGF CC[C@H](C)C1=C(C=O)C[C@@]2(C)[C@@H]1C(=O)[C@]1(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H]2CC=C(C)C)C1=O 2356514980 UMWJFTBXLSDEAV-TZCBERDBSA-N 522.726 7.063 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C3CCCCC3)[C@H]21 2356733884 DFAJESZZTCQKIT-QCXRMKDFSA-N 972.416 8.499 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356746992 HHYMAGIJRRFVLZ-MMVYWEDYSA-N 803.141 7.566 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356764533 OQSUSEXJEFWYDB-CCSWPLSTSA-N 965.292 9.008 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(C)O)CCC=C(C)CCCC(C)C 2356775084 HPMZVMXLIXSKCH-VRFJYCAZSA-N 580.850 6.799 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(C)=O)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356786545 AVRZFLNHFOPIIM-OCZHCDLCSA-N 939.457 16.250 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356814827 CLOLZMKPRGYBQR-BSKBTHOQSA-N 869.027 6.603 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@@H](C)CSSCNC7=CC(=CCN7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356832061 JTDNTVMMGBUUSA-SHDKWPIJSA-N 658.930 7.987 50 1 KKGF CC(=O)O[C@@H]1c2nc(cs2)C(=O)O[C@H](CCC[C@H](C)Cl)[C@@H](C)C(=O)O[C@@H](C(C)(C)O)c2nc(cs2)C(=O)OC1(C)C 2356841479 NJCRSCPKMAXMKK-WHHUABKHSA-N 631.169 5.167 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356842130 MLCZGCIXXMITDD-XEEUWCEYSA-N 740.044 8.788 50 1 KKGF CCC1=CC2=C(C#CCc3cc(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OCO)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@@H]2O4)C3)N[C@H]1N 2356857541 SKAKVJADZDQLKC-HVWGWPGBSA-N 930.202 8.582 50 1 KKGF O=C(SC[C@H](CN1CCCCC1)SS[C@@H](CSC(=O)N1CCCC1)CN1CCCCC1)N1CCCC1 28872920 ICIOQIUUWDVZOY-PSWAGMNNSA-N 574.948 5.975 50 1 KKGF O=C(OCC1c2ccccc2-c2ccccc21)N1CCC2(CC1)COC1(OO2)C2CC3CC(C2)CC1C3 42892098 COMIFBLGANZJNY-UHFFFAOYSA-N 501.623 5.901 50 1 KKGF C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H]3O[C@@]3(C)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12 49775521 XXZGDAJOFSALEJ-KXSKSBKOSA-N 584.389 7.101 50 1 KKGF CN(Oc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1)C(=O)OC(C)(C)C 72138018 CXSFIOMPRQFVSV-QHCPKHFHSA-N 664.162 8.198 50 1 KKGF Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(OC(F)(F)[C@@H](F)Br)cc1 103205638 OJSQPUGUQKFXBX-JOCHJYFZSA-N 574.825 7.949 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]34C)[C@@H]1CCC(=O)N2 195479750 JMZJBCNHUJOLER-ANUDPLFQSA-N 563.610 6.336 50 1 KKGF COc1cc(OC)c([C@@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(OC(C)=O)cc2)c(OC)c1 211522565 GMAGLVPSKNBQKR-NDEPHWFRSA-N 616.827 8.015 50 1 KKGF CC(C)(C)[Si](Oc1ccc2c(c1)NC(=O)Nc1cnc(C#N)c(n1)OCCC=CCO2)(c1ccccc1)c1ccccc1 253660919 UKKKBHAEFILWEP-UHFFFAOYSA-N 591.744 5.649 50 1 KKGF O=C(N[C@@H](CCCCCSSCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12)C(=O)Nc1cccc2cccnc12)OCc1ccccc1 261186708 XQPDEMOFEZWKBH-COCZKOEFSA-N 873.114 10.452 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCOC(=O)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473098078 FLHAUUHRKDMSBO-LRVDGFHZSA-N 634.807 6.201 50 1 KKGF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H]2CCCC[C@@H]21 586962331 WNSCPNMKZIEKQT-GKCIPKSASA-N 507.550 6.915 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322111 LLBXOIZKCMEJKZ-KUIIMNIKSA-N 593.533 7.534 50 1 KKGF Cc1ccc(OC(F)F)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587329166 KTADYRXPACLEIJ-URXFXBBRSA-N 507.302 6.090 50 1 KKGF COc1cc2c3c(c1)O[C@@](COC(C)=O)([C@@]1(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]41C)[C@@H](C2)C3=O 587421916 OFDBVADYHRXGHN-DNPLJCQXSA-N 615.550 5.362 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)ccc2O)N1 587673557 OGAMACVFWZEKKN-HUTHGQBESA-N 508.023 5.229 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 587744093 YTPYSLFYLYNFGL-NOVUIFNWSA-N 557.467 6.517 50 1 KKGF CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(c6nc7ccc(C(=O)NN)cc7[nH]6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 587948432 OWYRJBKBZUDPTE-RLAOUVETSA-N 700.921 7.175 50 1 KKGF O=C(O)[C@@H]1C[C@]23[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@]2(C[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl 653764985 PRQKLNWDZMXELK-DARVMPQYSA-N 643.130 6.196 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C1)N(C)[C@@H](C)C2 962629763 IHTFCIQXZPSMOK-FFZYEISDSA-N 706.533 5.901 50 1 KKGF O=C(O)c1ccccc1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963006177 HXIDSUNNARKEML-CUNXSJBXSA-N 567.823 5.310 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc(Cl)cc1)([C@@H](Br)c1ccccc1)NCC21CCOCC1 963188176 NBMCPHILQXIKHQ-XCZPVHLTSA-N 542.901 6.388 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCn3nnc4c3C[C@@H]3CC[C@H]5[C@@H]6CC[C@H](O)[C@@]6(C)CC[C@@H]5[C@@]3(C)C4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772576639 KQZIBCYESGPDBO-NHYBRPHOSA-N 625.851 5.821 50 1 KKGF C#Cc1cccc(Nc2ncnc3ccc(OCCCCO[P@](N)(=O)N(CCCl)CCCl)cc23)c1 1772578425 NWQZWJNXAGKRAC-DHUJRADRSA-N 536.400 5.377 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356320058 CMPNVOCLBOVJAU-HJYMFGFESA-N 814.039 7.223 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@](C)(CCOC)NCC2=C[C@H]1CCC2 2356363206 JXGFNBDDZQLXKE-KIPOWGTCSA-N 783.107 6.362 50 1 KKGF C[C@@]12CCSSC[C@]34NC(=N)NC[C@@H]3[C@H](c3ccccc3)C=C[C@@H]4CCC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356374415 VPPWXCZHVVPNEF-XDQBEWRBSA-N 621.913 5.687 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@]47C=C[C@H]6C[C@H]4CCC7)C[C@H]1CC[C@H]3C2)C5 2356645235 JKTZXSNJFDBLEX-FVKDYVNYSA-N 991.418 11.431 50 1 KKGF CC(C)=CCC1=C2O[C@H](C(C)(C)OO)C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c2ccccc2)(C1=O)C3=O 2356748857 XWDJAVMNFFGXQU-IPGLRVRISA-N 534.693 7.064 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356773489 AMXAZBUZAVHELZ-ADFPKPTCSA-N 891.247 8.120 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356845226 OCPCUFHVVUVWDN-YMXCELGTSA-N 929.215 5.751 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356853403 RGGYDAUWSVZBDX-KHIMUEDBSA-N 732.025 7.284 50 1 KKGF O=C(NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc(Cl)cc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1 51092444 PPQQKFLWAGERRF-PMACEKPBSA-N 589.093 7.333 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 85594550 PBKUIWMXHPVSQG-UULWRJNWSA-N 845.097 5.613 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1ccc(NC[C@H](C)O)c(CO)c1 85597346 TXVGKQUMCZDKSL-SXMJZXIRSA-N 746.992 7.861 50 1 KKGF biogenic,in-vitro CCCCCCCCCCc1ccc(C(=O)O[C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@]53OO4)[C@@]2(C)S(C)(=O)=O)cc1 101658327 DFHBQAWOZBJOFL-LRIKLMNLSA-N 606.822 6.902 50 1 KKGF CC(C)(C)OC(=O)NCc1cccc(CNC(=O)C23CC4C[C@@H](C2)C2(OOC5(CCCCC5)O2)[C@@H](C4)C3)c1 102309686 REXWKEARLWDSKE-BBKYXXEBSA-N 526.674 5.489 50 1 KKGF Cc1cc(C2=CC[C@H](OC(F)(F)[C@H](F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103201948 LXCQBIARLMLKIK-ZSEKCTLFSA-N 564.830 7.547 50 1 KKGF Cc1ncoc1-c1nnc(SCCCN2C[C@H]3C[C@@]3(c3cccc(S(F)(F)(F)(F)F)c3)C2)n1C 169299459 WHOZDXFLKLSAJU-IERDGZPVSA-N 521.581 6.192 50 1 KKGF C=C1CCC(C)=CC[C@@H]1C[C@H](/C=C(\I)CCCC1OCCO1)O[Si](C)(C)C(C)(C)C 195218497 JHUTWKNUFNFRGH-XKHKYNEGSA-N 546.606 7.932 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O 195414631 LPHWAILIWOWJCM-SNAASSQNSA-N 672.935 6.689 50 1 KKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C=O)\C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C 255260047 PVMQZQKZKCHZMP-LSWHINSZSA-N 550.871 12.117 50 1 KKGF COC(=O)CNC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 299848305 LAZMWWKUMGPAOG-KDQZQXSASA-N 691.859 5.701 50 1 KKGF Fc1ccccc1-c1nnc(SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)n1-c1ccccc1 587153620 VJLZSJBJQBNEKF-UHFFFAOYSA-N 527.519 7.899 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323756 SYFCWLVTRREJNT-NRSLUSSRSA-N 515.331 5.033 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(I)cc1)CC2=O 587473156 XUQKTKFCEZMTLU-IBGZPJMESA-N 501.158 5.205 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)c(F)c2)N1 587725295 OURXFTHCHYXRSH-XYZCENFISA-N 510.014 5.663 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1nnc(-c3ccc(F)cc3)o1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677592 KGDXNMXIWXYPQN-HHHXNRCGSA-N 575.946 6.093 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](c1c[nH]c3ccccc13)([C@@H](C)Br)N2C(=O)OC(C)(C)C 962707978 LUOYWKBTDZQAPL-JOLLRLPSSA-N 557.460 5.985 50 1 KKGF O=C(c1ccccc1Cl)[C@H](Cl)[C@@]1(c2ccccc2Cl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951956 GTAVIPHYSJWGAY-AHKZPQOWSA-N 568.850 7.398 50 1 KKGF COc1ccc([C@]2(CCCCCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1 962962891 DDHHGWQDIKCQBF-BWVNHPAKSA-N 612.506 5.960 50 1 KKGF COc1cccc([C@@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 963086596 BCZUOSAQOIDEQW-GIWKVKTRSA-N 618.571 7.637 50 1 KKGF COc1ccc([C@]2(CBr)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1Br 963138497 GQAIFDJWGCKYPD-AREMUKBSSA-N 590.312 5.394 50 1 KKGF COc1ccc2c(c1)[C@](c1c[nH]c3ccccc13)([C@H](Cl)c1ccccc1)N(Cc1ccc(F)cc1)CC2 963300333 DBJOALAFXLMILD-ZWXJPIIXSA-N 511.040 7.598 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@@]2(CCCCCl)c2ccccc2Cl)c1 963580746 MCIBTAWLGAZCTC-SSEXGKCCSA-N 600.468 7.664 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)[C@H](Br)Cc1ccc(Cl)cc1F 963841363 MEOXJQBXVMYIAB-SNOBZRMMSA-N 554.884 6.645 50 1 KKGF CCOC(=O)c1ccc(CN2CCC(Nc3nc(Oc4c(C)cc(/C=C/C#N)cc4C)c4sccc4n3)CC2)cc1 1772642820 LFZXUYIYSMYDAR-AATRIKPKSA-N 567.715 6.890 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(N)c1C(=O)NNC(=S)Nc1ccccc1 1857571323 DSYOGTGEQPROQK-PVJPVWMPSA-N 564.821 6.369 50 1 KKGF COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@H]1CCSS1 1857616002 ZMJYLUUUDNJQQW-LJQANCHMSA-N 571.099 7.236 50 1 KKGF CCc1ccc(N2CCN(CC(=O)N/N=C/c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(OC=C[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)N4)O6)CC2)cc1 1857743090 FFQGLHRHPNTYDQ-BNXDMHLZSA-N 970.130 5.589 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@H]1c1ccccc1 1857772007 GQRJDTFMMWUKIQ-UTLCLOFYSA-N 546.664 5.971 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@@]34CC[C@H]5C[C@H]6[C@@H]7C(=O)C[C@H](OC)[C@]7(O)[C@@]5(CC=C[C@H]3[C@H]1C2)[C@]64C 2356316498 RCUQCPOVDGARAL-HPJXZDALSA-N 623.925 6.318 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@@]21O 2356352857 CNSRQYAMZJJCGD-CKMXAYRXSA-N 982.455 9.700 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]4O)[C@]65C 2356435529 FMHFCMQGZUSLAS-HEHCSPIKSA-N 926.248 5.288 50 1 KKGF COC(=O)[C@@H]1CS[C@H]([C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)N1 2356544976 ASKCMCAJPPSBDL-IHRMTKCFSA-N 658.244 5.922 50 1 KKGF C[C@@H]1CO[C@]2(C[C@@H]1C(Cl)Cl)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356564781 CHKSBIWGMUSRLX-LPWSPHGWSA-N 513.546 5.715 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)C[C@@H]([C@@](C)(O)C2CCCC2)O3)O1 2356647408 LXCVRNKYDMTKNL-JSROCUGRSA-N 625.718 6.120 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC2CCCCC2)c1O 2356670779 BKKSWFKHTZCPGF-ZWSHHFEBSA-N 678.913 8.913 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356707363 SOCQRMIOUWQBFO-DPGHWEHJSA-N 674.967 5.543 50 1 KKGF O=C[C@]12OCSSC[C@H](C3=CCN=C3)[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)CNC[C@]1(O)[C@H](Oc1ccc3c(c1)OCC(=C1C=CC(O)=C[CH-]1)C3=O)O[C@H](C(=O)O)[C@H]2O 2356869214 XJKBNUFXGHEQJS-HOZLQXISSA-N 894.057 5.644 50 1 KKGF O=C(Nc1ccccc1)OCCN=C1c2ccccc2[C@H](Br)[C@@H](Br)c2ccccc21 1643747 RCAMYZDOHPSKDC-VXKWHMMOSA-N 528.244 6.658 50 1 KKGF Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)NCC(=O)N/N=C/c1c(Cl)cccc1Cl 49756217 HDMVKRFUFADSID-VNTWQREPSA-N 558.775 5.993 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@]3(OC[C@@H](OO3)[C@@]3(C)[C@@]4(C)CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@]4(C)CC[C@]32C)C1(C)C 49844798 RAPGDEKELRZXMW-ITTZTCJYSA-N 544.817 8.247 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(OC)c(OC)c(OC)cc4[nH]3)ccc2[nH]1 95611945 YKSNKSKEBINEBT-OAHLLOKOSA-N 740.091 6.902 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@H](SSCCC[C@@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@H]1NCCC[C@@H]1SSC2 150343710 FRZKNIMAHBPKKP-SSLJYOPVSA-N 992.316 10.986 50 1 KKGF biogenic,in-vitro CC(=O)Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 150558703 CROJPCGABFENEJ-UHFFFAOYSA-N 851.022 8.573 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 169364130 LESKKKIMBKXTJX-UGEMLUIJSA-N 909.039 6.329 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)c2ncccc2c1 299826677 NAHXECAGIFJKER-DCFHFQCYSA-N 561.086 5.780 50 1 KKGF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587047876 BJPVLOMHGQIMIF-SREVYHEPSA-N 587.796 8.027 50 1 KKGF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(F)(F)C1 587132117 KJYHWJTUMPISND-VIFPVBQESA-N 528.288 6.952 50 1 KKGF O=S(=O)(N[C@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1ccc(F)cc1 587171374 XTWMZTWRZILJJH-LJQANCHMSA-N 507.481 6.427 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnc4ccccc4c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191150 PPRZUIGNKPUDJC-TZNUUNCUSA-N 612.815 7.143 50 1 KKGF O=C(NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 587228633 VIQVPOBXDRSRPK-UHFFFAOYSA-N 500.287 6.452 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 587673432 MUJZMHVTIZTZGE-QLXKLKPCSA-N 561.289 6.047 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587712706 BLYNWDWRSZKJMY-UYRMAULUSA-N 693.069 7.464 50 1 KKGF O=C(Oc1ccc(OCc2ccccc2)cc1)N(Nc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1 653790358 BFQLSDFXYASHGY-UHFFFAOYSA-N 550.636 7.149 50 1 KKGF COCCCN1CCc2ccc(OC)cc2[C@@]12CC(C)(C)CC1=C2[C@H](c2cccc(F)c2)C(C#N)=C(N)O1 961316890 DADKXPATBXWVRV-DLFZDVPBSA-N 517.645 5.506 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@]1(CCl)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21)OCc1ccccc1 962634192 HXUCVDSTHHYOTP-OCVBKWNCSA-N 584.135 6.544 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]12c1ccc(OC)cc1C[C@H]2Br 962991448 IOWLEHZOXFLAJD-PXJZQJOASA-N 584.894 5.587 50 1 KKGF Cc1onc(-c2ccc(Cl)cc2Cl)c1[C@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963107143 LXIMFQNQLGAOLH-HXUWFJFHSA-N 521.069 7.048 50 1 KKGF Cc1cccc2c1[C@]1(C=C(C(C)(C)C)C(=O)[C@H](Cl)[C@@]1(Cl)C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963832433 QDAMIRDBQSZUHD-HPBLDYPDSA-N 566.566 7.013 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@]2(/C(=C(\C#N)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)c3ccccc32)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963927476 ACXUFOPUERGJCE-NMHXAEQRSA-N 844.032 5.951 50 1 KKGF C=CC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](Cc2cn([C@H](c3nc(C(=O)OC)co3)[C@@H](C)CC)nn2)C1 1857554809 BPBMRQGVOOVVIC-SRVLBJBBSA-N 530.786 6.614 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cccc(Cl)c4Cl)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cccc(Cl)c4Cl)cc23)cc1 1857620428 ULKUTHGPRZMYRV-UHFFFAOYSA-N 870.624 7.998 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)cc(Cc2cccc(O)c2)c1O 2356293036 ZPOZSRMKOOJSFP-UYPDYRCESA-N 849.036 9.003 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356304878 GIYDNSQLIPTHND-RCRWLELGSA-N 905.285 8.778 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)NCC2=C[C@H]1CCC2 2356357104 GMUFOTUUBLCECS-NYWOIYPGSA-N 759.085 6.340 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)C[C@H]3C=C[C@H]4Cc5c(NCC(C)=O)c(CO)cc1c5[C@H]3[C@H]4CO)CC(=O)CC2 2356360476 GXKAYOGHRNCORJ-IJXDXFKTSA-N 953.233 8.178 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@H]2C=CC[C@@H]3O 2356361141 VKZYXCBSUSQSSJ-NDDPFFOISA-N 920.296 6.371 50 1 KKGF CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 2356364182 UXXONGHXTCMBAS-QBCUZEBRSA-N 970.267 9.627 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1CCC(C)C 2356366856 RNSOXIUYHBTONR-GHEWCIDBSA-N 798.074 5.311 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356370947 UWGZOHRAFVCVDF-ICABLHDJSA-N 831.148 5.349 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@@]34C)[C@H](O)CC1=C1CCCCC1 2356371942 UMEJQVNUJLOCNC-AFWQALNHSA-N 753.128 8.094 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCCC(O)(O)C2)C[C@H]([C@](C)(O)[C@H]2CCN(CCCOC)[C@@H](CC)C2)O3)O1 2356375930 MSBBLZDGBKDJQF-ZTOVGQQGSA-N 901.063 5.161 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 2356521305 RHVUWCOPIAXOFJ-FZDBBNTKSA-N 565.746 10.076 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356655175 ZIPHEWXHWGGITJ-SSFDNPATSA-N 819.055 7.182 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356767392 CJRVOXTWIMJWGH-ZFHINHETSA-N 801.122 6.334 50 1 KKGF CC(C)(Cl)[C@H](Br)CC[C@](C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@@H]2O[C@@]3([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)CC[C@@]2(C)O3)O1 2356808580 YZARRXISSFENGE-MNSYPVMBSA-N 739.454 7.354 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356823294 GKZDWXZAEMRORI-VCOGUPCKSA-N 879.247 7.450 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(C[C@H](CO)CCCO)CC7)[C@H](O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356850213 QAMXPYXJLLRDQE-MCPNDHHHSA-N 942.254 7.624 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@@H]4c4ccccc4)n3)cc2)ccc1Cl 4618463 VPDPUQBQBNFYPF-GOTSBHOMSA-N 560.484 5.968 50 1 KKGF C=C(c1ccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 43199631 YWEBMJFHZLCHKQ-HNRBIFIRSA-N 506.595 6.740 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 44430781 CYPJKKBEVOGYIM-NVXWUHKLSA-N 514.423 5.003 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Cl)cc1 45300493 DKKBLQLJHXEPQQ-NSOVKSMOSA-N 516.380 6.874 50 1 KKGF C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(CCCC6)OO5)cc4)cc3c2)cc1)[C@H]1COC2(CCCC2)OO1 49899495 RVNMWQHQWJIJEE-MAZIBIHTSA-N 648.752 9.685 50 1 KKGF COc1ccc([C@@H]2C[C@H]2NNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 95606631 HTASPJMRRZBYOC-LMSSTIIKSA-N 749.817 6.508 50 1 KKGF CC(=O)N(/N=C/C(C)(C)[C@@H]1CC[C@]2(C)[C@H](CC[C@@H]3[C@H]4[C@H]5OC[C@@]4(CCC5(C)C)CC[C@]32C)[C@@]1(C)CC#N)C(C)=O 96931574 UMDRWZQHVMEYRH-ZUOWSBMESA-N 551.816 7.377 50 1 KKGF CN1C(=O)[C@@]2(C(C#N)=C(N)OC3=C2C(=O)CC(CCCCBr)(CCCCBr)C3)c2ccccc21 103196541 IGZCFKDLRLRBIU-AREMUKBSSA-N 591.344 5.359 50 1 KKGF COC(=O)[C@]1(C)C=C2C3=CC(=O)[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 103236516 JWECLZGXOASSES-ZBZWHIORSA-N 503.683 6.299 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 103257631 UZFARBMFBLXDIJ-BIJMGBHNSA-N 551.606 6.253 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(C(F)(F)F)cc1 103950381 VRBSFJFPNGCOKP-SFHVURJKSA-N 573.381 5.978 50 1 KKGF COC(=O)c1cc(C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c(C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1C(=O)OC 169297193 OHHUVQDBELPECA-YCLSHHFSSA-N 754.914 6.846 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3ccc(C#CCCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)s3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309789 RUIZZHDETIGHKC-XKRNXCGPSA-N 752.967 7.681 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC#Cc3cccc(C#CCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309814 CBELVZDBGLOPGP-MDMAFYNFSA-N 718.884 6.839 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)NCCCN3CCN(CCCNC(=O)CC[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@H]([C@H]4C)[C@]75OO6)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169362830 JVHGAAKZMCRLRS-QRALKXRGSA-N 845.132 5.678 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCC(C(C)(C)C)CC1)OO5 254209952 ZSWHWOUNGHFRGZ-WRWANMEJSA-N 690.915 7.857 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586931225 YVJGOQZEHQTCHO-UHFFFAOYSA-N 617.504 7.671 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 586941910 PJAGLKQOHODJBJ-UHFFFAOYSA-N 585.418 6.681 50 1 KKGF CC(C)Cn1c(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)nnc1-c1ccc(Cl)cc1Cl 586965862 ZPKVULZBBTZJPV-UHFFFAOYSA-N 637.325 9.496 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 587327717 HEKCVVWFEJVFQF-IAPPQJPRSA-N 543.944 7.451 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 587538293 OVUBNDCWXKRQRZ-SHQCIBLASA-N 556.239 7.499 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570306 OFQFHTXFGVYJLE-ZGXSOXBUSA-N 737.217 6.183 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 587674094 SREGIMYNPPRZRR-YEBMWUKDSA-N 515.220 5.854 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@@]2(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]32C)N1 587694666 PWZFBZCBPCALCT-RYHQLRDGSA-N 735.518 7.631 50 1 KKGF CN(c1ccc(-c2csc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1)S(C)(=O)=O 587923985 WIPJQRKRKIAIQA-DEDYPNTBSA-N 523.724 6.571 50 1 KKGF Cc1cc([C@]2(CCCCCl)c3ccc4c(c3CCN2C(=O)OC(C)(C)C)NCCC4)ccc1Br 961753761 YGLBWAKRSCDAFF-MUUNZHRXSA-N 547.965 7.562 50 1 KKGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)NCC1(CCOCC1)c1cccc(C(F)(F)F)c15 962957290 MQQFOCIKPPSHFP-ONWPRYKVSA-N 696.634 6.733 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 962996367 JKRKUGLZAUCMJP-XTEPFMGCSA-N 518.038 5.420 50 1 KKGF O=C(c1ccccc1)[C@@H](Cl)[C@@]1(C(F)(F)F)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045275 YMIWGINWPSJBON-OUTLAKLDSA-N 656.003 7.473 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(F)cc2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963090768 IFCPOIBSHUBGNI-ULEVKCMHSA-N 620.562 8.156 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(N1)c1cc(Br)ccc1OCC[C@@H]2Br 963191229 OOFBBEYHRIMFJA-ZUEVXXBESA-N 569.599 5.510 50 1 KKGF CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)c4ccoc4C[C@@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)ccc21 963199053 OSDZVVINOAERFJ-NHZFLZHXSA-N 647.149 5.735 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)C(C)(C)CCl)N1C(C)=O 963318954 XDBZZEZENPZICA-BAVOTMDYSA-N 903.838 7.639 50 1 KKGF CCn1c(=O)c([C@@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)OC)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(N)n(Cc2ccccc2)c1=O 963369887 YYDMIKJKNZIVSE-FRQQJOPASA-N 721.210 5.197 50 1 KKGF COc1ccc([C@@]2(c3cc(OC)c(OC)c(OC)c3)CC(C#N)=C(c3ccc(Br)cc3)O2)cc1O 1772571830 GZCMJCGBYFEHNO-HHHXNRCGSA-N 538.394 5.788 50 1 KKGF CC1(C)C(=O)N(c2ccc(C#N)cc2C(F)(F)F)C(=S)N1c1cccc(S(F)(F)(F)(F)F)c1 1857535951 SOVNPPKUURQUEQ-UHFFFAOYSA-N 515.451 7.151 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccc(C#N)cc2)nn1 1857629227 AAPKIVXKYMDKKG-LMGFSSHVSA-N 542.680 5.780 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)C23CCCC3)CCCC1 2356295484 VYMGPVWESCECHW-RLWXKJCFSA-N 758.063 8.862 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4C[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@]34C)[C@H]2C(=C51)CCCC21CCCC1 2356364599 ZMPDNFZALLLMHE-RIJWGWGMSA-N 869.291 9.677 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSSC[C@@H]([C@@H]4C=c5ccccc5=CC4)CCc4ccccc4Cc4cc(O)cc(c4)C[C@@H](C3)C2)C1 2356367258 ZJXCALIRMZXQTI-BGQFIWSTSA-N 649.022 9.775 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)C2(CCCC2)SSC1 2356488929 DLQLUIIDGPGRDF-IBGZPJMESA-N 540.751 6.481 50 1 KKGF CCCCCCC=CCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356525552 SBWPODCMBUGMQH-BDBPGYHESA-N 739.179 13.200 50 1 KKGF C=C1[C@H](OO)C[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@H]1C 2356810124 AWPZOHYJIUEPGA-SWAUAFFISA-N 500.764 8.064 50 1 KKGF CC[C@@H]1C=C[C@]2(C3=CCN=C3)CSSC[C@H](c3cc(O)c(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@@H]2C1 2356845474 OFEQRVHKEZTUCV-LAPJDAGYSA-N 545.723 5.466 50 1 KKGF CCCOc1c(C(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)sc(C(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)c1OCCC 49669856 UYEWYOKWPXXZIN-PJUICVFASA-N 726.903 9.109 50 1 KKGF COc1cc(N[C@@H](C)CCCN(Cc2ccc(N(C)C)cc2)C(=O)C(Cl)Cl)c2ncccc2c1 49766574 XLVJHYBTALSUFK-SFHVURJKSA-N 503.474 5.723 50 1 KKGF CC1=C(C(=O)NCc2cc(Br)cc(Br)c2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49802788 PAMANCBVKFSADN-XLONURFBSA-N 557.279 5.348 50 1 KKGF CCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 73298342 LGHZJIAMJUWMNS-MHZLTWQESA-N 539.673 5.655 50 1 KKGF CCCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 82190963 CMUFLNAPVHQCIY-JGCGQSQUSA-N 652.833 6.332 50 1 KKGF CC(C)(C)OC(=O)Cn1cc(/C=N\NC(=O)Cn2c(CSc3ccccc3)nc3ccccc32)c2ccccc21 84586856 PEORWHANOJRIJZ-KYHGBAKBSA-N 553.688 5.775 50 1 KKGF C[C@]12CCSSC[C@]34C[C@@H](CSS[C@@](CO)(Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549189 DRUAPNLANGYFOM-YRXLBVAPSA-N 838.240 6.684 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 85594606 BUHBBWIQTCVKFX-ISWOOLMASA-N 673.857 6.000 50 1 KKGF biogenic,in-vitro CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 95544695 LWTYDGJEOHWGQD-MDEIQYGVSA-N 822.944 6.202 50 1 KKGF C[C@@H]1O[C@@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I 95550130 DJBHCAQXADHLMR-UTMLDLSYSA-N 742.499 7.544 50 1 KKGF Cc1ccc(CNC(=O)C(C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 169289683 CEUFECFXWGSRPO-KVIXCJOYSA-N 723.948 7.509 50 1 KKGF C[C@H]1[C@@H]2CC[C@@H](C)[C@H]3CC[C@@]4(C)OO[C@]23[C@H](O[C@@H]1CC(=O)[C@@H]1O[C@H]2O[C@]3(C)CC[C@@H]5[C@@H](C)CC[C@@H]([C@@H]1C)[C@]25OO3)O4 169615362 GZJIPMCINQOOAP-QIZLUUIRSA-N 576.727 5.447 50 1 KKGF CCCCCCCCN1CCN(C(=S)SSC(=S)N2CCN(CCCCCCCC)CC2)CC1 212346850 QMVNVHIEJUIZKU-UHFFFAOYSA-N 546.982 6.894 50 1 KKGF COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)CC/C=C(\C)CCCC(C)(C)O[Si](C)(C)C 255192480 AEPCBQRPKAZQMS-XTOGMJTLSA-N 659.128 13.841 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587542058 FJOVCQIAJUXFOL-IRPSRAIASA-N 511.917 5.019 50 1 KKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710696 HGUHSMQWHYZNQU-QKVFXAPYSA-N 531.438 6.846 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(Cl)c1 587719746 QNYGOZQOXYZOBB-SFDCACGMSA-N 514.241 6.805 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)cc2Br)N1 587728379 RXWNHJYKHHRUHR-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCl)(c1cc(Oc3nccs3)ccc1O)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962627998 MCFUONOHHSPGOF-KDYSTLNUSA-N 559.040 5.572 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc3ccc4cccc5ccc1c3c45)N(C)[C@@H](C)C2 962631403 RIHDLOWJGGXJMX-PBYQXAPXSA-N 514.463 7.116 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963075595 GTBBHPRSSSCUQP-AEGYFVCZSA-N 838.566 9.180 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](c2ccc(OCCCCBr)cc2)c2scnc2C[C@@H]1C(=O)O 963151334 SXIWJOBNCDEEJK-MSOLQXFVSA-N 511.438 5.033 50 1 KKGF O=C(N/N=C/c1cccc(Br)c1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 1772632975 XBKJLLWWXNIHBH-INCRYZERSA-N 599.848 6.252 50 1 KKGF O=C(N/N=C/c1ccc(F)cc1Cl)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 1772646264 UXBCZXUXWPQMJL-GQRNTKIBSA-N 573.387 6.282 50 1 KKGF COC(=O)c1coc([C@H](Cc2ccccc2)n2cc(C[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H](C(C)C)C3)nn2)n1 1857574892 SMFPZJVMLPYVPW-SEDKXUNQSA-N 566.819 6.890 50 1 KKGF COc1cc(OC)c([C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911582689 OHKYDOUETPNUNA-ZFRSRMJLSA-N 670.840 7.550 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356299411 CHRYVEKIFGNIEW-IPBOGWRUSA-N 877.231 7.779 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)[C@H]2CC(c3cc[nH]c3)=C[C@@H](C2)SS5)c1O 2356371178 WWITVMGWCHFOIU-SFWBTYLYSA-N 884.126 9.099 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356432155 QUTKAUZBPOXOME-NAJCBFTJSA-N 698.989 5.565 50 1 KKGF CC(=O)O[C@H](C=C[C@H](C)CCC=C(C)C)C(C)=CCC[C@]1(C)[C@@H](CCCO)C(=C(C)C=O)CC[C@@]1(C)O 2356592705 HLWDNSYLWSVZSK-NKPXPWJMSA-N 516.763 7.039 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H]3CC[C@@H]4O[C@H]([C@]5(C)CC[C@@H](Br)C(C)(C)O5)CC[C@]4(C)O3)O2)O1 2356641173 HDXGHOIIDFPNSF-AWIOVYJHSA-N 587.636 6.229 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CC[C@H](Br)C(C)(C)Cl)[C@H](Br)CC[C@]2(C)[C@H]1Cc1cc(Br)cc(Br)c1O 2356672650 RWUQIKIJRXVZFL-GWVISPKKSA-N 718.634 10.173 50 1 KKGF CCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@@H](C)C1(C)C)O[C@H]2O 2356752892 CAEDYXLYBKMFFK-WSZWVXIISA-N 683.027 10.276 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC1CCC(CC1)[C@H](O)CC(=O)CC2 2356755378 GLIZTNWNJQULAO-AXBFEPISSA-N 524.704 6.633 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](CN2C=CNC2)(CCN3)SSC1 2356833944 JYUGJPNTKOXWDB-JCOAXYOVSA-N 594.803 5.474 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@]12O)[C@@]3(C)[C@]12C[C@@H]4CC[C@@H]1[C@@H]1CSS[C@H]3CCC[C@@H](O)[C@H]3Nc3cccc(c3)C[C@H]1C2 2356847145 OUCLSZGZFLLDDT-GKOYJADYSA-N 623.925 6.368 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356851847 QKMQSQXGYXKHRJ-MIYXWFHDSA-N 735.444 8.982 50 1 KKGF COc1ccc(-c2cc(-c3ccc(F)cc3)nc(NC(=O)N/N=C\c3cccc(Cl)c3)n2)cc1OC 49803654 XSIASSGQNGRTKN-FDVSRXAVSA-N 505.937 5.776 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCC[C@@H]1CCO[C@@H](CC(=O)CC2)C1 85597440 WRNNAGQBEJAQST-FDDCHVKYSA-N 524.704 6.899 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@@](C)(O)C/C=C/C(C)(C)OO)CC[C@]23C)C1(C)C 96086366 DHINOQSEHVSVIQ-XWYOUNHXSA-N 518.779 7.569 50 1 KKGF in-vitro CC[C@H](C)[C@@H](NC(=O)c1nc(-c2nc(C(CBr)(OC)OC)oc2C)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)co1)C(C)C 150565056 XMTQGFZNQSDBKJ-QZNVCQCUSA-N 941.903 6.381 50 1 KKGF COC(=O)CNC(=O)[C@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1ccccc1 169299382 WMFPPJMMRJGXDP-VLVIBDSRSA-N 853.063 6.848 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#Cc3cccc(C#CCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309816 CBELVZDBGLOPGP-XKRNXCGPSA-N 718.884 6.839 50 1 KKGF CC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Br)C[C@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 205424190 RETCPPWIOCMJEO-NQSCOFRMSA-N 525.867 6.238 50 1 KKGF CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)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 587129053 RDEMHUUMGIUDTD-SYKYGTKKSA-N 963.862 5.363 50 1 KKGF CC(C)(C)OC(=O)N1CCC([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587319686 COZGWVNQAYSHGQ-BKMJKUGQSA-N 534.422 5.671 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587323745 SVJACDDGYINYOI-RDGATRHJSA-N 530.346 5.660 50 1 KKGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)[C@H](C)Cl)cc41)[C@@H](C2)C3=O 587419709 YESJZDBBFFNSBI-UTNOXEGVSA-N 508.357 5.150 50 1 KKGF CC(C)(C)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O 587538126 NSGNOAXSAQDZMG-BTYSJIOQSA-N 539.466 6.945 50 1 KKGF O=C1C(=Cc2cc([C@]3(CCl)NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)c[nH]2)C(=O)c2ccccc21 962963873 YKJIPWWVYFEPTQ-NDEPHWFRSA-N 540.969 5.630 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCCCCCl)(c1ccc(C)c(F)c1)N(C(=O)c1ccccc1N)CC2 963139730 MLBVOUOEMSTMMW-HKBQPEDESA-N 539.091 6.865 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@H](CCCO[Si](C)(C)C(C)(C)C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368168 PVFYCQDRTNJUKT-ZWXJPIIXSA-N 601.816 7.584 50 1 KKGF COc1cc(N[C@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(C(F)(F)F)cc1 1857640281 VZDNTHCRLAAPJV-JSFADACZSA-N 695.823 9.048 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCCCOc2ccc3cc(-c4ccc(Cl)c(Cl)c4)c(=O)oc3c2)nn1 1857748485 KPWMSWAMMPHMOK-VWLOTQADSA-N 661.677 7.938 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OCO)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 2356299908 IMSGNEUIPDTTAV-XTHPJGEUSA-N 928.186 8.674 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 2356352600 XCORWOQIWRVUOY-WZGTXHIQSA-N 971.292 8.982 50 1 KKGF COC(=O)[C@@H]1[C@@H]2[C@](C)(C(=O)OC)[C@H](O[Si](C)(C)C)CC[C@]2(C(=O)OC)[C@@H]2CC[C@H]3C[C@@]12C[C@]3(C)O[Si](C)(C)C 2356384713 WKDQMFWJXLOQRE-AOSHLXTKSA-N 582.883 5.175 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356435040 PEGCHNAPBMVFEK-KMHZBKSTSA-N 859.202 6.679 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCCO)CSSCO4)[C@@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 2356499499 FAASLSIQZYQJSZ-QYCJAVHOSA-N 816.988 5.211 50 1 KKGF CCCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@@H](C)[C@H]1CCC(=O)OC 2356826850 HKUFOFCGDABZAJ-RBDMOPTHSA-N 620.750 5.992 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@](CCO)(CC4(c5ccccc5)CCCC4)C#C[C@@H]3C=C12 2356852659 QSAVEAUHBIIKFF-JJWRWICDSA-N 978.375 8.580 50 1 KKGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2NC(c2ccccc2)=C(c2ccccc2)S3)s1 28826986 MAIBFWJHQLEUMH-UHFFFAOYSA-N 542.089 7.026 50 1 KKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(C[S@](=O)c2ccccc2)=N1 101251050 JGHSDLIRFHJJFX-CYMOILSRSA-N 593.671 6.767 50 1 KKGF CNCC[C@@H]1C=C/C(=C\C[C@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 150344008 RTRQOMILXYXEFO-PATSYZSFSA-O 895.089 6.551 50 1 KKGF biogenic,in-vitro CC(C)(Cl)[C@H](Br)CC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CC[C@@H](O)[C@]2(C)CC[C@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)C2)C1 238744732 MJHMIBYCWMSRPM-UDYSRGMFSA-N 737.526 8.725 50 1 KKGF CC1(C)[C@H](Br)CC[C@@H](O)[C@@H]1CC[C@]1(C)O[C@](C)([C@H](O)CCl)CC[C@H]1Br 238780836 CXSYXYOPYBYQCA-AHWGMODPSA-N 504.731 5.018 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cl)CCl)[nH]c21 587007766 HLXPODGYUWTIPV-HSZRJFAPSA-N 579.528 7.342 50 1 KKGF O=c1c(Cl)c(Cl)cnn1C12C[C@H]3C[C@@H](CC(Cc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)(C3)C1)C2 587087687 NRVGTKXRMULMNU-CVXASFDDSA-N 555.400 7.622 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@H](Br)C1 587321732 DYASETSXHGHWJW-NMMYMHLASA-N 506.368 5.033 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@H](C)Cc2cc(Br)c(F)cc21 587855098 FSULGPSJWFTCPG-YVORESIASA-N 577.947 6.541 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587855585 GSVNMNYSUGNMIB-BJLXPSRBSA-N 604.029 7.829 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3ccc(Oc4ccc5c(c4)CCC5)c(F)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587945881 SJUKMFDPNAPRQI-NSWBSQQISA-N 591.676 7.190 50 1 KKGF N#CSC[C@@]1(c2ccc(Cl)cc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962567458 GWXRBPZDGRHOBV-QLWXXVCSSA-N 582.081 6.453 50 1 KKGF CCC(C)(C)[C@]1(CCl)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962578151 XUBZKZURBMIRHK-RNAHPLFWSA-N 519.041 6.212 50 1 KKGF O=C1C(Cl)=C(NC(=O)C(Cl)Cl)[C@@]2(NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c2ccccc21 962963714 YRTPBMBNWPIUBZ-XMMPIXPASA-N 559.799 5.167 50 1 KKGF COc1ccc2c(c1)c([C@@]1(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)c(C)n2Cc1ccccc1 962982183 WJSQXHTWFLXVFK-SKCUWOTOSA-N 545.413 6.020 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(NC(C)=O)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937635 GYOIDXLFLVMHMJ-IXXJQHIXSA-N 671.285 5.264 50 1 KKGF O=C(NCc1cccs1)c1ccnc2c(SSc3cccc4c(C(=O)NCc5cccs5)ccnc34)cccc12 1772650674 ANEKDCBJYOLYPY-UHFFFAOYSA-N 598.800 7.565 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3c(C)cc(C)cc3C)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857560869 QYMNEFAOGCOFQU-QLDHPOHESA-N 624.550 6.328 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356356130 JGTPVOIBCYVSEC-DZFVEGJUSA-N 718.089 5.963 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356482692 RDFUUOFYZDJOQO-QFYYXNPASA-N 857.186 5.883 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SS[C@H]5CCC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@@H]2O)O3)C5)c(O)c(OC)c1O 2356614233 MASSNJHOOAPKHV-PSCRZVIMSA-N 738.921 6.661 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356742925 KLZLKFKXEWUJBL-WFARTSNISA-N 978.324 6.234 50 1 KKGF CNCc1ccc(CO)c([C@@H]2C=C[C@@H]3C[C@H]4CSSC[C@H](CCO)[C@@H]5[C@H](CO)C[C@H]6CC7=C4C(=O)C[C@]75[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@H]24)c1 2356780048 JRGLPKVAFBBFGN-HUNYRDANSA-N 785.180 5.746 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)OP(=O)(OCC)OCC 26402842 PYJCCAGXSBOWEO-SGVIDHNISA-N 566.628 6.082 50 1 KKGF CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873639 WXVOOACDWVNOJY-UIOOFZCWSA-N 670.420 6.187 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cccc(OC)c4o3)ccc2[nH]1 29228101 HLKAHOICBDKGHR-MRXNPFEDSA-N 681.023 7.150 50 1 KKGF CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145583 JGJOEMKAPJEZCG-SBTAANNESA-N 505.703 5.196 50 1 KKGF CO[C@H]1O[C@]2(C)CC[C@H]3CCC[C@@H](CCOP(=O)(Oc4ccccc4)Oc4ccccc4)[C@]13OO2 38158739 ZXZAJJJYOSBQGV-FPTDWKCBSA-N 504.516 6.275 50 1 KKGF C=C[C@@]1(C)CCC=C(C[C@@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2c(OC)cccc24)OCO3)[C@@H]1C(=C)C=O 44306374 XXQZGCCUBVSBKJ-XVQWHCMCSA-N 557.599 6.858 50 1 KKGF CC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@@H]3CCl 49745236 VOKGXYWYOIEEEQ-IBGZPJMESA-N 535.000 5.355 50 1 KKGF COc1ccc(-c2coc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1N(CCCl)CCCl 84709494 HFPDLPSOSRNHGB-UHFFFAOYSA-N 512.433 6.640 50 1 KKGF CC(C)(O)/C=C/C[C@@](C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 138241515 LNPHICKKKGHENP-HPEILCDZSA-N 587.636 5.989 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COP(=O)(OC3CCCCC3)OC3CCCCC3)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169299779 QBFNODSFUGVKBX-SIQDRCAUSA-N 851.068 10.707 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](I)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169372290 QALVTSSVBXFBRB-UZXOGTPTSA-N 696.663 5.974 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COP(=O)(Oc1ccccc1)Oc1ccccc1 170069564 JNQKIRIFEQQRFM-OYRHQHFDSA-N 574.643 5.497 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@]5(C)[C@H]([C@@H](C)CCC(N)=O)CC[C@H]5[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 299847379 OWQBFKFZINYBFL-INMVCMHHSA-N 647.850 6.533 50 1 KKGF CCOC(=O)c1cnn(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)c1C(F)(F)F 587115488 WVGXAJIEOBWQMK-UHFFFAOYSA-N 526.409 7.269 50 1 KKGF COc1ccc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 587239429 YAHOFVDTMSCWNZ-UHFFFAOYSA-N 519.561 5.203 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(c1ccccc1P(c1ccccc1)c1ccccc1)c1ccccc1P(c1ccccc1)c1ccccc1 587609423 VRQDSTKNEHLNPO-MFERNQICSA-N 762.782 8.814 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cc(F)ccc12 587632730 JLYMYHSUVIQLNV-ZYDRBKRKSA-N 546.466 6.307 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 587674128 SYXYGYUYHOSDSY-ZSEKCTLFSA-N 520.281 5.360 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587843442 ZOGJRNSCYBKOMB-CBZJRKILSA-N 610.977 5.033 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587854611 DDWJHVQKHGNSRE-YFWNDERMSA-N 618.056 8.075 50 1 KKGF CCc1cccc2c([C@@]3([C@H](Cl)c4ccccc4)NC4(CC4)Cc4ccc(Br)cc43)c[nH]c12 961314835 AXUCMVPVXHDQLZ-IAPPQJPRSA-N 505.887 7.395 50 1 KKGF CC1(C)C(=O)N(c2ccc([N+](=O)[O-])c(C(F)(F)F)c2)C(=S)N1c1ccc(S(F)(F)(F)(F)F)cc1 1857555664 FSJSXJPVRJMZKP-UHFFFAOYSA-N 535.438 7.188 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 2356307106 XJNZVDMVCHYTDM-HCIBHACWSA-N 689.725 6.325 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]2O)c1O 2356355969 XGWSZTGXCWXFHU-BECGYDCASA-N 742.953 7.228 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3[C@H]3CC[C@H]2C[C@H](O)CSS3)c1 2356359578 NYJOMJSKGRIZEN-HFSMIPMOSA-N 718.938 7.144 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356515986 HZDPBFGZGQOUKY-NKDADSBCSA-N 742.964 5.953 50 1 KKGF COC(=O)[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H]1OC(C)(C)O[C@@]1(C)COC(c1ccccc1)(c1ccccc1)c1ccccc1 2356696582 GTVKPMXVFZOWFH-RYGLSYOKSA-N 646.941 8.741 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(CCCC(C)C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@H](C)O 2356722292 BZCNQRGBAJRTJC-VWFSZCMMSA-N 995.495 8.415 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNC1=CC2=C(CC[C@@H]4CCC[C@]24C[C@]2(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]2O)CN1 2356843893 NQQQWBDMWPYREV-GPAKSVOJSA-N 943.194 5.832 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)CCC[C@@H](CC4)[C@H]3O)C=C12 2356857193 SHEBRRVVTNFFDL-ZDKIINPQSA-N 830.170 6.725 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCNCCCCc4ccc(N(CCCl)CCCl)cc4)[C@H]3[C@@H]1CC[C@@H]2O 27213940 GPJWGSNPHMYGRR-UYKDAQFMSA-N 643.784 8.682 50 1 KKGF O=C(Nc1ccc(Cl)c2ccccc12)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(Cl)c2ccccc12 29471301 RBJIQQPFTZKEBM-UHFFFAOYSA-N 625.602 10.604 50 1 KKGF C[C@@H](NC(=O)Cc1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938038 NDVKODCCKFJFSA-GDYJHFTBSA-N 719.172 7.320 50 1 KKGF CCCCCCNC[C@H]1C[C@@]2(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSSC[C@H](C4)C[C@H]3[C@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 85543476 YZHUUIRZXDSPFA-KIYCSTHFSA-N 783.289 12.550 50 1 KKGF biogenic,in-vitro CCCCC[C@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](CCOC)C3)c2O)C1 85596928 OPPJIYPQDGXOJL-VOFOALCUSA-N 797.141 8.513 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1O)CN1C[C@@H](CC1=O)C[C@H](N=C(N)N)CSSC[C@H](CCc1ccccc1)CCCC[C@H](O)C[C@H](OC(C)=O)CC2 85627430 YKXOFUONUUOPER-UPNBIZJSSA-N 714.995 5.601 50 1 KKGF biogenic,in-vitro CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1cccs1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 102986245 OWSVDHWIBGVHED-UBIQIYROSA-N 511.459 6.641 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCN(c5ccc(C(F)(F)F)cc5)CC4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106533 VQUVEASAZFQLAU-QUNBPGEXSA-N 616.721 6.752 50 1 KKGF FC(F)(F)C(F)(F)c1oc(-c2ccc(C(c3ccc(-c4nc(-c5cc[n+](CCCl)cc5)c(C(F)(F)C(F)(F)F)o4)cc3)(C(F)(F)F)C(F)(F)F)cc2)nc1-c1cc[n+](CCCl)cc1 150562313 YYXKNKUYOCJRAI-UHFFFAOYSA-N 955.521 12.102 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 195434886 ABCZDKUNHRLIFC-GYQDSREESA-N 506.800 6.162 50 1 KKGF CC(C)(O)[C@H]1CC[C@](C)([C@@H]2CC[C@@](C)([C@H]3CC[C@H]4O[C@@H]([C@]5(C)CC[C@@H](Br)C(C)(C)O5)CC[C@]4(C)O3)O2)O1 203542538 HDXGHOIIDFPNSF-QKANJTMESA-N 587.636 6.229 50 1 KKGF CCOC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 224229342 PVBDQCRWZPYKOP-ICFXLVBESA-N 569.641 5.263 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 238775746 FRTKXRNTVMCAKI-QJJHVYBSSA-N 613.254 7.321 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](CCCCCC[C@@H]3C(=O)O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253661002 WGVWKOGGAZAROY-SJZJFRHASA-N 618.764 6.104 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@H](C)COC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@H]23)C1 254102473 OKPXOAYGQQZPIK-LGKBWTQOSA-N 883.183 15.001 50 1 KKGF O=C(N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1O)Nc1nc2ccc(N3CCOCC3)cc2s1 299839965 UFGAILIXCJHYAP-RWPZCVJISA-N 538.029 5.227 50 1 KKGF CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@H]3O[C@H]4O[C@@H]([C@H]3OCc3ccccc3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O4)cc1 299869861 VMSVZEXKTAPHHR-STDVPNNASA-N 770.841 7.220 50 1 KKGF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C(C)C)cc1 586933497 SZHNIAWQABUNCK-IBGZPJMESA-N 526.553 5.532 50 1 KKGF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587033507 ICWLMYUKSZQYNX-AWEZNQCLSA-N 554.404 8.469 50 1 KKGF NNC(=O)c1ccc2nc([C@H](Cc3ccccc3C(F)(F)F)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 587107034 HJWIZFOAQUFTME-NDEPHWFRSA-N 585.586 6.008 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@]1(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]31C)O2 587377697 XNPLHWPIGNZGRZ-JHPJXVNVSA-N 668.614 6.595 50 1 KKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1C(c1ccccc1)c1ccccc1 587499113 RXIJIXWJQAUVPT-XIFFEERXSA-N 510.077 7.721 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587579493 OAUBYXNUJNCLPJ-PMMLCMNPSA-N 542.591 5.925 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 587674140 TXFSEYXFGKQHAF-JBEBIEQOSA-N 501.237 6.332 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 587674225 VADSWPBGCFUNOE-ODCWNRFASA-N 529.247 7.055 50 1 KKGF CO[C@@H]([C@H](O)C[C@]1([C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]2O[C@@]3(CC[C@@H]2C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O3)N[C@H](C)Cc2ccc(F)c(Br)c21)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587833278 MSPMPVMUCKGBKP-KKUJXJCGSA-N 981.047 7.548 50 1 KKGF Oc1ccc(Oc2nccs2)cc1[C@]1(CCl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958647 OJTMLZKIZQYVNF-HSZRJFAPSA-N 510.965 5.794 50 1 KKGF O=[N+]([O-])c1c(C(F)(F)F)cccc1[C@@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961507 VHBFXTFDXSJNKM-HXUWFJFHSA-N 553.297 5.922 50 1 KKGF CCc1ccc([C@]2(CCBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963015436 UDOATGKEPBUFAY-ABYGYWHVSA-N 565.895 6.564 50 1 KKGF CC1=C([C@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 963833872 YIQYRMDMVWYRMC-ZOTSQFCPSA-N 641.227 7.624 50 1 KKGF CS(=O)(=O)c1cc(S(F)(F)(F)(F)F)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O 1857600163 VXOKTNHNKMORHH-UHFFFAOYSA-N 582.772 5.375 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSS[C@H]7C=Cc8c(ccnc8N7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356291748 DDTKQMAZUZNVSN-WDULXCJTSA-N 763.982 8.157 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356353182 JOWRNSPRQGHFFE-CNBOSDMTSA-N 871.213 6.477 50 1 KKGF COc1cc(O)c(C=CC(C=O)=CC[C@H]2[C@@]3(C)CCCC(C)(C)[C@H]3CC[C@]23CO3)c(O)c1C(=O)C=Cc1ccccc1 2356480968 XVSYISZBIBMIMY-HXVWYZFTSA-N 570.726 7.543 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356811022 BDJUPQCTASTLFQ-OIRVMJTBSA-N 816.951 5.559 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356831482 JPMWLUMCVKEGBM-WIROGTGFSA-N 896.097 6.874 50 1 KKGF CCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C/[C@H](CC)C(C)C)[C@@]34C=C[C@]2(C1)OO4 95911233 AINFSGWMKHWUJL-KHGKUSGLSA-N 695.126 13.286 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccccc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 102952548 FQUWBDIMZNBBMA-OKYSMZMCSA-N 505.430 6.580 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)c5ccncc5Cl)[C@H]4CC[C@@H]32)C1 299847764 DEPMEDSXCRDCRX-KPUITMMKSA-N 532.285 8.602 50 1 KKGF O=C(N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)Cc1csc2ccccc12)OCC1c2ccccc2-c2ccccc21 587034520 OBFCRMDSEJIGPC-NRFANRHFSA-N 655.714 10.128 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3cc21 587057048 TVUIBZWGKRIKIH-CFRMEGHHSA-N 745.575 8.760 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 587320603 FVNYKVBMPJIEGX-MFACLRLHSA-N 596.290 7.685 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570299 OFQFHTXFGVYJLE-HLHDXSLRSA-N 737.217 6.183 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OCc3ccccc3)c2)N1 587674337 WFEPJEDQEIOHRA-UPCLLVRISA-N 519.252 6.340 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 587687061 FHLHYEITTXBHNA-HWRSSNJWSA-N 519.842 5.784 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1Cc1ccc2c(c1)OCO2 587689763 VTJLPIROFBLRQG-HWRSSNJWSA-N 519.842 5.800 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 587713889 OJGJVEPTHRGWQH-IKIFGXKNSA-N 612.440 7.975 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2Br)N1 587725647 FSKYPFPKHXJSRS-XYZCENFISA-N 510.014 5.663 50 1 KKGF CC1(C)CC2=C(C(C#N)(C#N)C(C#N)=C(N)O2)[C@]2(C1)c1ccncc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962404287 NTVLFABOPFCWPK-IIZRLQMASA-N 638.684 5.369 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@H](c2ccc(S(F)(F)(F)(F)F)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962470368 BVRWISBOHAEZAP-IZLXSDGUSA-N 620.571 8.228 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCl)(c2ncc(Cl)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963063170 ABBJWJIALUCJER-BYYXFNHRSA-N 763.542 8.313 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(c1ccccc1)c1cc(S(F)(F)(F)(F)F)ccc1N 963072131 ZFGNRIKBCHXIHH-LNFMTQTQSA-N 653.670 7.697 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](C(Br)Br)(C(F)(F)F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963084567 FCTCHPVOXBCUKH-FREGXXQWSA-N 659.340 7.864 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCl)c1cc(C)n(-c2cc(Cl)ccc2Cl)c1C 963905537 YFFBNPDSYRWPEE-YKGWIAGDSA-N 591.963 7.828 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@H](c2ccc(OCCBr)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938464 MYCFBUKOKBELTO-COROXYKFSA-N 688.710 5.687 50 1 KKGF C[C@H](C/C=C(/C=O)c1ccccc1)C1=C2C[C@H](O)[C@H]3[C@@]4(C)CCC(=O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]2(C)CC1 1857565509 WDOIXPZMUZZSCH-JOYOQDDWSA-N 502.739 7.584 50 1 KKGF CCCCCCCCCCCCCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911579727 WFTWYTFPSABSIO-UHFFFAOYSA-O 517.758 10.042 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C[C@@](CO)(NC(=N)N)CSSC4)O[C@@H]21 2356292758 JBPQQGFVLNEGTM-PIPXBZFHSA-N 736.913 5.084 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@H](CSSCO4)[C@H]56)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 2356350551 FALDAHZBXHSRNO-PECNTVLESA-N 784.946 5.458 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356358479 PTFORQWEKBBGTN-BBNMLBMJSA-N 929.211 7.983 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)CC1 2356370009 LAPDGCGEEVPYAY-BYJXTMFGSA-N 829.101 8.112 50 1 KKGF CC[C@H](C)C[C@@H](C)C=C[C@@]12C[C@H]3[C@H](C=C(C)C)[C@@](CC=C(C)C(C)=CC=O)(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356448457 DRBMJJASDPWRHG-WAQXUFPRSA-N 610.835 8.302 50 1 KKGF CC[C@H](C)C1=C(C=O)C[C@]2(C)[C@H](CC=C(C)C)C[C@@]3(CC=C(C)C)C(=O)O[C@@](CC=C(C)C)(C(=O)[C@@H]12)C3=O 2356514981 UMWJFTBXLSDEAV-XGWALNJWSA-N 522.726 7.063 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356729528 PIMDWNBQQILOOE-CIFPADLPSA-N 861.221 7.973 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356824153 GSZJLLQQHIZLCM-LJYCIQFISA-N 861.140 5.405 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](CN2C=CNC2)(SSC1)[C@H](CCc1ccccc1)CN3 2356841742 MHEPGYSUBBQLPF-YTISIKLGSA-N 698.955 7.333 50 1 KKGF CC[C@@H]1C=C[C@]2(C3=CCN=C3)CSSC[C@H](c3cc(O)c(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@@H]2C1 2356845472 OFEQRVHKEZTUCV-JOXWEEAOSA-N 545.723 5.466 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@@]23CC4(CCCC4)C[C@@H]2C=CC2=CNCN23)SSC1 2356856192 RYJXKDJVNINCMG-VJHMXUPRSA-N 727.009 8.441 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCO)c3ccccc43)[nH]c2c(OC)c1OC 3994194 AJULSBXDRCPFNF-OAQYLSRUSA-N 705.120 6.358 50 1 KKGF COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])o5)c5ccccc5c43)[nH]c2c(OC)c1OC 27633528 HMBFEBFHKMZSOE-HXUWFJFHSA-N 635.029 6.580 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1-2 43523821 KUDUXXFXZCETDE-GGBVODQZSA-N 521.281 7.178 50 1 KKGF O[C@H](CCl)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1 49872104 DLNHKQIOTRJLQP-JPYJTQIMSA-N 545.907 7.244 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1cccc(CO)c1)[C@H](C/C=C\[C@H](O)CC1CCCCC1)C2 85505463 WVCCOTOSMLBBCR-BJZORKBCSA-N 736.097 8.224 50 1 KKGF biogenic,in-vitro C[C@@]12C(=O)n3c(Br)nc4c3[C@@]3(C[C@H]1Br)N2c1cc(Br)cc(Br)c1[C@@]31CC(=O)N1C=C4Br 162319518 YXHYLJHKNSEQDY-JSJLGNTGSA-N 738.854 5.600 50 1 KKGF C/C(=N\NC(=O)CN1c2c(-c3ccccc3)n[nH]c2-c2ccccc2S1(=O)=O)c1cc(Cl)sc1Cl 299866402 OVOBNTDOBVNGJZ-LGJNPRDNSA-N 546.461 5.161 50 1 KKGF COc1cc(/C=C/c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Br 586978221 ZGMFWKROLQKULA-HWKANZROSA-N 534.142 7.924 50 1 KKGF CC(C)[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCc1ccccc1 587198359 ZGDBHAQHJAPSOQ-SFHVURJKSA-N 542.368 7.949 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccc(C)cc1)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O 587451783 KMQASQBSDBWLQD-WTYVLRPYSA-N 508.039 5.812 50 1 KKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587682135 BFRWZLUPNKJSKA-ZPBOBRSPSA-N 516.882 7.177 50 1 KKGF CN(C)CCSSCCNC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C1 618017456 QKCYQGPJKOMVDL-VQTJNVASSA-N 556.581 5.004 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CCCCCl)(c2ccc(F)cc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962722360 YUZGCMCQOUGDIP-UVNLRBHVSA-N 676.179 7.595 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962962833 VIWLJRRKTSYZQB-YTMVLYRLSA-N 593.111 5.689 50 1 KKGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc(Cl)cc2)N1 962969259 QASPBKCCYWREJF-SNYIIPAISA-N 525.766 5.360 50 1 KKGF CCOC(=O)N[C@@H](Cc1ccccc1)[C@@]1(CBr)c2ccccc2CCN1C(=O)COc1cc(Cl)c(C=O)cc1OCC 962999272 VBVBVRZMCCRPCA-BHDXBOSCSA-N 657.989 5.963 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](C)(c2oc3ccccc3c2NC(=O)[C@H](C)Cl)N1 963159819 HLTZKNQDNHSRJR-ZPAOXZNVSA-N 685.224 7.542 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@](CBr)(c2ncc(C(F)(F)F)cc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963184996 ATQBOHFOWNRLJL-PWUYWRBVSA-N 661.858 7.246 50 1 KKGF O=C(NO)c1ccc(OCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1772610871 DDKAXNOGJFRWIN-UHFFFAOYSA-O 542.636 6.225 50 1 KKGF N#CC1=C(N)N(Cc2ccccc2)C(NCc2ccccc2)=C([N+](=O)[O-])[C@@]12c1ccccc1-c1nc3ccccc3nc12 1772619225 HNDAZVJZHUACSG-UMSFTDKQSA-N 563.621 5.342 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)CC[C@H]1C 1857536837 XYRPZFYRAOHGMW-FKWJDDPUSA-N 885.030 12.677 50 1 KKGF COc1cc2oc(-c3ccc(OCCCOC(=O)c4ccc(N(CCCl)CCCl)cc4)cc3)cc(=O)c2c(O)c1OC 1857649474 IKUPSGDYBXOALD-UHFFFAOYSA-N 616.494 6.093 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)CNCC 2356352839 CHCKEAKMHNFOSD-LHHPRSKNSA-N 642.966 6.098 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C4C[C@H](CCC(C)C)[C@@H](CN[C@H]5CC[C@H](C)CCC[C@H](O)[C@@](O1)([C@H]4SSC5)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@@H]4[C@@]3(O)[C@H]1O)O2 2356362827 FJCPOCJRZUXAEG-AFRHXBHASA-N 914.193 5.597 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356390396 AMLQXPCJWJTBPJ-VMKMSKLSSA-N 983.303 9.296 50 1 KKGF CCCCC[C@H](C[C@H](O)CO)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356409595 MYPIUKNZCUXEMS-AXXHMWGXSA-N 976.315 9.096 50 1 KKGF CC=CC=CC[C@H](C[C@H](CCCCCCc1cc(O)cc(O)c1)SS[C@H](CCCCCCc1cc(O)cc(OS(=O)(=O)O)c1)C[C@@H](CC=CC=CC)OS(=O)(=O)O)OS(=O)(=O)O 2356568761 OZONNSYTHKPECL-RVCZPTATSA-N 967.278 9.991 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@](NC(=N)NCCCCO)(CSS[C@H]3CC[C@H]12)C4 2356573651 VZCWLRJTLWLJPC-ORWOHVTISA-N 837.074 6.561 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 2356620450 STTUJEJVPBLZIR-FXCBRQMNSA-N 614.864 5.518 50 1 KKGF COC[C@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(C=CC[C@@H]2O[C@]3(C[C@H](O)[C@@H]2C)O[C@H]([C@H](C)C[C@H](C)[C@H](C)[C@H](C)[C@@H](C)C=C(C)C(C)=CC=CC(C)=CC#N)[C@H](OP(=O)(O)O)C3(C)C)co1)N(C)C 2356695349 DDLAOQXXRIYRDI-OJILXKKNSA-N 989.242 7.860 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356765783 OKJNXNRPQNRJBB-RCCQJTKVSA-N 737.163 12.976 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c1O 85511062 ZLOWUTPSRITHJP-HWRVYMBZSA-N 776.967 5.062 50 1 KKGF biogenic,in-vitro Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H]5CCC[C@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 85511149 CSFRVPIHRLBUNR-OPPNGMGTSA-N 828.999 5.211 50 1 KKGF biogenic,in-vitro CC(C)Cc1cccc(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC3)c1 85549307 GDMACCFXIAJTKG-MNPHAIPRSA-N 653.999 6.339 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)[C@H](NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C 95583934 BOFFTJUIUIRUNT-YTTGMZPUSA-N 568.699 7.769 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccc(Br)cc5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916441 CXVMCYRHJQMOCQ-FOKFESALSA-N 563.536 6.642 50 1 KKGF COc1cc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc(OC)c1OC 98082867 OXLDFCGTWJAVBF-NXGPJOSJSA-N 593.656 5.154 50 1 KKGF O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc5c(cn4)CC[C@@H]4CC6(CCCC6)C[C@]54C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 150344701 GTMQNVSRHDCCQA-NSAYYRKNSA-N 869.071 5.738 50 1 KKGF biogenic,in-vitro CCCCC[C@H](CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2)C[C@H](O)CO 150349123 OQUSAXUUXDNWBE-UMGDSYHBSA-N 949.269 8.492 50 1 KKGF biogenic,in-vitro COc1ccc(N2C(N)=C(C#N)[C@H](c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1 169310115 ZEGYUWLBKQFECS-MUUNZHRXSA-N 545.647 5.316 50 1 KKGF O=C1[C@H]2C[C@H](SS[C@@H]3C[C@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@H](Cl)C[C@@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl 195500963 BCRRQTMYMQMOAZ-SBBGGFAWSA-N 833.172 8.276 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 299815421 JJQGOUALJFARBW-RDBZBYGISA-N 539.883 6.116 50 1 KKGF COc1cc(C)c(Cl)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321121 IKQPRLNVQXLHFW-ISKFKSNPSA-N 505.767 6.151 50 1 KKGF C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322583 NIXNMJAVQKHPJK-XFOPFIHFSA-N 510.359 5.766 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587548890 YHHGHXRLGGFWHM-FCEWVZBWSA-N 667.582 6.273 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2ccc(S(C)(=O)=O)cc12 587650617 PCIHDVHUQDKZOY-KLCLYIEVSA-N 676.203 5.481 50 1 KKGF COc1cccc(C(=O)[C@H](Br)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587670268 JQMFPLYDPRYPGG-ZQNCRGTDSA-N 577.288 6.030 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 587673543 OCAHFQCHCNEMKN-RZFZLAGVSA-N 515.220 5.854 50 1 KKGF COc1cccc(C(=O)[C@H](Cl)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587688898 OIQGRYSWXUNWSY-BUNUKWNGSA-N 532.837 5.874 50 1 KKGF O=C(O)[C@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 962634120 JTXAKVWHWYOIHJ-NVXWUHKLSA-N 566.214 5.860 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CBr)c3cccc(Br)n3)c(O)c2C(=O)O1 962965805 IOSSPJVPQNCISA-USXXSAIHSA-N 664.734 5.095 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2ccc(OC)nc2)N1 963162961 QGNCKDLEUDMJMO-ZJJOJAIXSA-N 649.589 6.009 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 963702434 JPPJKQCLAPOLHP-CLRWIJPTSA-N 789.341 6.141 50 1 KKGF Cc1cccc2c1[C@@](CCl)(c1c(-c3cccc(Cl)c3)[nH]c3ccccc13)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841166 IQDVXFGAOOFXIQ-HEIROHQZSA-N 579.524 7.916 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1ccc(Cl)c(Cl)c1)c1ccccc12 1772642046 OXFSHFNFURHZAM-PSXMRANNSA-N 667.516 6.743 50 1 KKGF Cc1ccc(N2C(=O)c3ccccc3[C@@H](C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)C2=O)cc1C 1857605125 CXFWJKFMIFOCKV-GDLZYMKVSA-N 568.098 6.936 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3cccc(C(F)(F)F)c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857616959 SAUNMBLRHUSTMA-RHCBCKHOSA-N 650.466 6.421 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356313173 TYDFSQYJSJKOBX-AJEZSRAJSA-N 684.021 7.566 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCc4ccccc4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356350107 UYIPQQHFQLTYCY-UFNNXSCRSA-N 986.443 9.164 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@]6(O)[C@H](OC)C=C(O)[C@H]6[C@H]4[C@@]35C)C[C@@H]1C2 2356472973 OQWBIYWFIJETGR-UZSFVHPSSA-N 599.903 6.634 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C6C=C[C@@H]7CCCC[C@@H]7[C@H]6C[C@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356476243 FLFCQVQDVAJEAY-IHMOWSBASA-N 977.262 8.780 50 1 KKGF CCCCCC[C@H]1CC[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356552476 QZWIJRVIJMNVEB-OJAUKTCHSA-N 503.822 6.861 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356604944 LENSIYIFVVWJNS-ZISXZQMJSA-N 745.102 7.492 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356625348 JVPRJGVDJLHHPG-ZQOQTTQJSA-N 672.945 7.985 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@H]4CCC[C@@H](C4)SS3)[C@H]2O)c(O)c(OC)c1O 2356769012 UPUOMSALGOGYLS-RUSYBIQASA-N 738.921 6.733 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCCC[C@@H]1CC[C@@H](CO)OC)CC[C@H](O)CC(=O)CC2 2356774853 DRSPIPLHTDUNAS-XVDRMYDUSA-N 933.247 5.631 50 1 KKGF C[C@H](Cc1ccccc1)[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@H](O)[C@@H](CCC1)CC2 2356811382 BNYPTGIXXNMTLE-WVVIZWRKSA-N 892.241 7.558 50 1 KKGF C[C@H](CC=Cc1ccccc1CCCNC1CCCC1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356831554 JQGHHYOFBOSHOK-JOMWVGHGSA-N 997.202 6.374 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CC[C@H](O)C[C@@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356839200 LRTAZGSHAYWFJZ-USKDTFFSSA-N 984.335 6.298 50 1 KKGF CC[C@@H]1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C3CC[C@@H]4CCCC[C@]45C(=O)NC[C@@H]5[C@H]3C1)O2 2356841346 NHNCWNOXKAHGHB-AXHCOSMFSA-N 960.090 5.209 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356848735 PIECKVOCJYUMMC-KPWLOAHUSA-N 875.167 5.795 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356857066 SGGADGQFJHWELB-QJPTZNAXSA-N 872.031 5.902 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)OCC(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@H]2C2=CCN=C2)c2ccccc21 2356873209 ZDNCXVUEUVPFRF-LGWSIORHSA-N 925.159 6.778 50 1 KKGF C/C1=C\CC/C(C=O)=C/[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C/CC1 13372693 XJBILGKCOVAJTM-AJNUOSSRSA-N 527.573 7.137 50 1 KKGF CCO/C(O)=C1\C(C[S@](=O)c2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802478 HMOVZYKCWLCOLL-YMVQBEODSA-N 543.394 6.962 50 1 KKGF O=C(Nc1sc2c(c1C(=O)NNc1ccc(Br)cc1)CCCCC2)NS(=O)(=O)c1ccccc1 49708789 QCJYYJIEIPCKRS-UHFFFAOYSA-N 563.499 5.047 50 1 KKGF CC(C)Oc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 72117085 LXODXAYQTJLLIH-IRRKWMKOSA-N 521.404 5.201 50 1 KKGF 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CC(=O)O[C@]1(c2ccc3c(O)nc(O)nc3n2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587369093 UMWLKAOYUWMTQJ-JQCKFRRLSA-N 572.489 5.534 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 587373530 LWZVHHXKFZBQIR-DFUYLOSJSA-N 632.197 8.495 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CCl)([C@@]13OC(C)(C)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]13C)O2 587384256 ZCXUTUMMXWUUOT-WUBKZLKPSA-N 602.143 5.615 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)NCCc2nc3ccccn3c21 962984467 DCPLFIOEDAILHI-IBNXPAPGSA-N 667.945 6.370 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc3c(c2)CCCC3)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963085805 HUNXWBHDCCFAKG-QARUCVQPSA-N 642.637 8.507 50 1 KKGF Fc1cccc2c1[C@](CBr)(c1ccc(I)c(F)c1F)N1CCC[C@@H]1C2 963113232 QFQDEZFWUQIOGD-BLVKFPJESA-N 522.146 5.368 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCCCCCl)(c1ccc(C)c(F)c1)N(C(=O)c1ccccc1N)CC2 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C[C@@H]1[C@H](CC(C[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254133787 CRSJHIRCVZDTHB-DNQMLIDJSA-N 832.066 7.556 50 1 KKGF CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=C\C=C(\C)C=O 255209678 FPLASDSFNINBIY-UXYWYUNWSA-N 548.855 11.893 50 1 KKGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccc(Cl)cc3)N(CCCl)CCCl)cc(O)c21 473083710 PHMCONPLMSETOS-JOCHJYFZSA-N 504.797 5.396 50 1 KKGF Cc1c(Br)cnc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc12 587055063 JNKJUZMIRGTHNB-NVNXTCNLSA-N 501.215 6.807 50 1 KKGF COc1cc(OC)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 587191104 OXXYVSHZRZADRY-CKGUXDPVSA-N 621.819 6.612 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnnc(O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191846 YZCJSRDXWLTQJR-JVOBOXBSSA-N 579.742 5.090 50 1 KKGF 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KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 963157290 KJIQQPDMJCKZOP-MSKRODRTSA-N 693.247 7.457 50 1 KKGF C[C@@H](Br)[C@]1(C2CCOCC2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963188007 MNOPNXMYCFHCLV-ULKDHTGTSA-N 580.475 5.945 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@H](NC1CCCCC1)CSSC2 2356299369 AXVWGNVFNUIIHZ-SIYNTQKESA-N 976.317 12.231 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@@H](Cc1cccc(CO)c1)[C@@H](CC=C[C@H](O)CC1CCCCC1)C2 2356313237 WVCCOTOSMLBBCR-QBGHGRHKSA-N 736.097 8.224 50 1 KKGF CNCc1cccc([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@@H]24)c1 2356362570 GLFRRUZICYOJRP-KOCIPLDOSA-N 664.982 5.406 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356476632 MCKKZSADBJKHFS-VZVNJHCJSA-N 765.998 8.152 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356530578 GBBAFSKMUHKXSA-PJZHKZLHSA-N 929.307 9.041 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)cc(OC)c1O 2356538875 UIPOWAZXHADFPA-HMUWRPEJSA-N 634.816 7.519 50 1 KKGF CC(=O)O[C@@H]1c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H]1C 2356582208 XLIYEZKUQXAJCM-YAYUIHDJSA-N 807.680 11.886 50 1 KKGF CC=C(CCO)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356589198 SQSSRBSSTYATII-JYAAWAHKSA-N 703.883 5.193 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CCC[C@@H]2[C@H](CC)N(CCCOC)CC[C@H]21)C4 2356639247 IZOGQQHQDRWBRN-OQSGHPMPSA-N 897.075 5.483 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[Si](C)(C)C)[C@@H]5CC[C@@]43C)[C@H]2C1 2356686487 HUKXXXJMJPMTML-QWWOQJKXSA-N 689.259 11.218 50 1 KKGF C[C@]12CCC(=NNC(=O)c3ccncc3)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(=O)c3ccncc3)CC[C@H]12 2356716847 ZYEHQFGKBKGWDM-ILVQRKGQSA-N 524.669 5.311 50 1 KKGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356772599 CRPWEBPOIQAQIA-QAYSZKQHSA-N 616.836 7.273 50 1 KKGF CNCc1ccc(CO)c([C@@H]2C=C[C@@H]3C[C@H]4CSSC[C@H](CCO)[C@@H]5[C@H](CO)C[C@H]6CC7=C4C(=O)C[C@]75[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@@H]24)c1 2356780046 JRGLPKVAFBBFGN-AJHOCRDBSA-N 785.180 5.746 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](O)C(C)(C)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 2356793002 KECQQVSCCHRDPW-NTWAYGDOSA-N 587.636 5.989 50 1 KKGF CC(C)Oc1cccc(-n2c(NNC(=O)Nc3ccc(Br)cc3)nc3ccccc3c2=O)c1 13779061 OKAVXQGBFLKFKE-UHFFFAOYSA-N 508.376 5.084 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2C)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40447675 OXJUTGRGOJKXFT-VNRABVQOSA-N 504.530 5.630 50 1 KKGF Cc1cccc2c(Nc3cc(COC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc(NC(=O)OC(C)(C)C)c3)c3ccccc3nc12 49888833 HMPATCLARQCDAU-UHFFFAOYSA-N 688.656 9.820 50 1 KKGF CNCc1ccc(CO)c(C[C@H]2CNC(N)=N[C@@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 85549207 KHLZZQMMPGZEGK-UMSPBBKOSA-N 739.105 6.055 50 1 KKGF biogenic,in-vitro CCc1cccc2c(N/N=C/c3ccc(O[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)cc(C)nc12 103203136 JMIDWKIXPOHQQZ-ASBBONTISA-N 571.718 7.138 50 1 KKGF COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)CO1 224037060 MNMHDWDMZWIGLI-CUJVHAHTSA-N 702.904 6.008 50 1 KKGF C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586973804 OUZYAUUUNWPNNB-CQSZACIVSA-N 502.334 6.881 50 1 KKGF Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587118421 NITXQHOCVOKKLL-JTQLQIEISA-N 557.536 8.549 50 1 KKGF Cc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587189241 AGDCHNRJVOLCHA-AWTWARRTSA-N 575.794 6.903 50 1 KKGF Cc1cc(F)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c1 587190009 HENSWRAFPRCSAJ-MYVFZZCKSA-N 593.784 7.042 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322122 LLBXOIZKCMEJKZ-YGNJYUGXSA-N 593.533 7.534 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 587673205 LJJSRFJDCPENPF-DLUDVSRJSA-N 541.343 7.062 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1 587689254 RFJKDHDCYAONOP-YQQIJLMBSA-N 541.675 7.163 50 1 KKGF CC(C)c1c(C(=O)Nc2ccccc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1-c1ccnc(CCl)n1 587940315 OBAOQQISKMZPRN-UHFFFAOYSA-N 525.027 7.855 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1cc(F)cc(Br)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677317 PXPNBMUXMAIRED-VWLOTQADSA-N 631.258 6.961 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21C=C[C@@]2(C)C(=C1)CC[C@H]1[C@H]3C[C@@H](C)[C@@](O)(C(=O)CCl)[C@]3(C)C[C@H](O)[C@]12F 963862607 CUBDBEQSZVDMED-ZFUBIACISA-N 686.261 6.414 50 1 KKGF CC[C@H](Br)[C@@]1(c2ccccn2)c2ccccc2C[C@@H](C(=O)NC)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963928890 QAXVSLCLYLIHOK-DMGIAFCASA-N 687.726 5.636 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1ccc(Br)cc1)c1ccccc12 1772623948 HZLCZLOTDVRSBP-PSXMRANNSA-N 677.522 6.199 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nnc(-c2cc3ccccc3[nH]2)s1 1911572044 OJZHGZXXNICCDV-QGOAFFKASA-N 611.583 5.898 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)c1cn(C2CC2)c2cc(N/N=C/c3ccc(Cl)cc3)c(F)cc2c1=O 1911580453 KNUQZLYCHXZUDJ-GCFMLEDASA-N 536.394 5.992 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CCCO)c(=O)oc3cc1O2 2356293574 IUFWCOHHMYFIKU-FBBZUHMBSA-N 761.963 5.118 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3ccc(O)cc3)=C3CC[C@](C)(O)[C@@]2([C@H]3CCCO)[C@@H]1O)CCC=C(C)C 2356351796 GEILXPDUBWISAU-GJRMCUCFSA-N 682.989 7.280 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356359523 MPQCKRHRRIIUME-GJSPJCDXSA-N 803.182 7.898 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356386350 FQRBGDPTIPPRPR-SSKOPQOWSA-N 729.062 6.286 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356541944 RMSMYAKMOIBKLU-MJYFJXRRSA-N 879.247 8.388 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@H](C)CCSS3)[C@H]2O)cc(OC)c1O 2356677223 LAPDKKBULPKXNQ-MLPPMQRGSA-N 696.884 6.494 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356679698 CZHRPEINYJEVAY-PFDZNQLTSA-N 905.189 8.032 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356769556 IAHRYXGYGVKKCV-VJKWZVKUSA-N 777.018 7.823 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NCC[C@@](Cn4ccnc4)(SSC1)C3=C2 2356864591 VWXDLQDQGBJMML-VHOLSGDPSA-N 594.803 5.055 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@@H](Cn2ccnc2)SSC1 2356866923 VPJDBWUZIAVVBM-KSTMOFQHSA-N 594.803 5.355 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4NC5=C6C7=C(CN5)[C@H]5C[C@@H]8C[C@@]9(CO)O[C@@H](O3)[C@H](O)[C@@](O)([C@@H]9O)[C@H]8[C@]73[C@H](CC[C@H]3c3cccc4c36)C5)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356870317 XPZXRTLVUAPFBB-MYPSPBBNSA-N 927.110 5.523 50 1 KKGF CC(C)(C)OC(=O)CCNC(=O)c1cnc2c(SSc3cccc4cc(C(=O)NCCC(=O)OC(C)(C)C)cnc34)cccc2c1 204759626 ZWYUGHGPOBHYSP-UHFFFAOYSA-N 662.834 6.506 50 3 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@H]4c4cccs4)n3)cc2)ccc1Cl 5579474 UMKKROJMEXWXGO-NHCUHLMSSA-N 566.513 6.030 50 1 KKGF N#C[C@@H](NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)c1ccccc1 5801030 WWOMXROAPKVBFF-HXUWFJFHSA-N 609.300 7.574 50 1 KKGF CSCC[C@H](N)CSSC[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 14243981 QXXMSEVVNUSHKJ-ULNSLHSMSA-N 582.857 5.778 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccc(Oc3ccc(NC(=O)CCCC[C@@H]4CCSS4)cc3)cc1)O2 27435469 ZEMGGJPBVMOZPW-XQJOSWFISA-N 620.837 8.485 50 1 KKGF CN(C)c1ccc(/C=N/C2=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 66112262 ONNQFJJGZXPYMR-ASYZDWHGSA-N 620.562 6.172 50 1 KKGF CN(CCCCCl)[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl 72118962 ROKARLAVHOSXAJ-YQOBSMRKSA-N 722.327 8.613 50 1 KKGF N#CC1=C(/N=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 72123741 HJXMETNOXWDEDF-ABFODGPCSA-N 667.487 5.922 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O)C[C@H]1O)Cc1ccc(-c2cccnc2)cc1)C(C)(C)C 84758149 AJKIUJAKGPSKCA-NPHQGNLKSA-N 733.910 5.223 50 1 KKGF C[C@@H](/C=C/c1ccc(C(=O)CN2CCC[C@@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C 194880922 ARRPEMLSARPYRE-YITCHMBRSA-N 640.963 7.136 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C[C@@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NNC(=O)c3ccncc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299812852 CCGPSWGJJDUHOL-JTOYNGRGSA-N 739.907 5.740 50 1 KKGF C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(F)(F)(F)(F)F)cc7[nH]6)[C@@H](O)[C@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C 586914635 XBJAIYYSJBBENU-ZDYXWUHNSA-N 694.804 7.125 50 1 KKGF N[C@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]2)cn3C2CC2)C1 587173204 SUBFFFUYRHQWGH-ZDUSSCGKSA-N 636.460 7.756 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(F)c(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190572 LXOFXWPJUMXZIX-NLRLBUSZSA-N 615.737 7.012 50 1 KKGF O=C(N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 587220973 HHUUGVKSCNFXAU-URLMMPGGSA-N 780.614 7.864 50 1 KKGF Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587373085 KYVBOXSWAFNRKA-AKGWNBJDSA-N 576.089 7.260 50 1 KKGF COc1cc(Cl)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587537995 MFCJOWOZDPUFTE-NFBKMPQASA-N 505.748 5.315 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 587685644 AHGKFOAQVKYXEO-SGANQWHYSA-N 524.305 6.919 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587689568 UNWODVNOLYWQBL-LMDNVDAOSA-N 517.826 5.621 50 1 KKGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587691119 CABPCVWSRMBRFO-VCRPFHSDSA-N 669.459 6.499 50 1 KKGF COc1ccc([C@]2([C@H](Br)c3ccccc3)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1F 962406443 SBFFNKKTXCZEPU-UYHARLOLSA-N 693.569 7.870 50 1 KKGF Cc1cc([C@@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1nc[nH]n1 963081879 UUTLTKXZGSDVPF-STBUXKTCSA-N 794.201 7.651 50 1 KKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963583941 RSVHKUCQOFABLK-VAVYLYDRSA-N 648.882 7.372 50 1 KKGF COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCC(=O)OCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1772592781 RRLQAYDXEMUYNJ-WOGQQFDQSA-N 748.708 5.296 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1Cl 1772656104 AJLMVRIHSUKYDI-QFIPXVFZSA-N 532.868 6.325 50 1 KKGF O=C(OCCCCOc1ccc(-c2cc(=O)c3c(O)c4c(cc3o2)OCCO4)cc1)c1ccc(N(CCCl)CCCl)cc1 1857771382 AGPGLERQQGAJLB-UHFFFAOYSA-N 628.505 6.237 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCCC[C@H](O)C4CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356292508 RFJGUVCEQFBYDL-NOPDRMJYSA-N 918.235 9.098 50 1 KKGF C[C@@]12CC[C@H](O)[C@]34[C@H]1[C@]1(C[C@](C)(C#CC[C@@]5(C[C@@H](Cc6ccccc6)CC[C@H]5[C@H]5CC[C@@](C)(CC[C@H]3O)C[C@@H](Cc3ccccc3)CSS5)C(=O)O1)[C@@]4(O)CCC1=CC(=O)OC1)NN[C@@H]1CCC[C@@H]12 2356355261 DAYFLJGMYMLYNJ-PTIPEOMSSA-N 977.387 9.677 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356373710 GRVGNXKMQZRDBN-XKXXSLSCSA-N 827.027 5.895 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356417233 VPZOAEMEYPVBPY-VASNRHCSSA-N 923.289 7.220 50 1 KKGF C=C(C=O)CC(=C)COC(=O)[C@](C)(O)C[C@@H]1CC[C@H](O)[C@]2(C=C(C)C[C@H]([C@H](C)C=C[C@@H]3CC[C@]4(CC[C@@H]5O[C@H]([C@H](O)C[C@H](C)[C@@H]6O[C@]7(CCCCO7)CC[C@@H]6C)C(=C)[C@@H](O)[C@@H]5O4)O3)O2)O1 2356460775 IXHIMLDLLGVXHB-MXQOYKIUSA-N 913.155 6.374 50 1 KKGF CC(C)(C)OC(=O)NCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 42989361 ZQVWNGQBQCTCNW-WPLDWJCOSA-N 635.806 5.662 50 1 KKGF CCOC(=O)C1=C(C[S@](=O)c2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 43260787 QTSYGMXMKZFMFC-IOKNLURESA-N 573.681 5.869 50 1 KKGF COc1ccccc1COCCCCCCNCCSSCCNCCCCCCOCc1ccccc1OC 43409196 YXWQUKUJBFQTPX-UHFFFAOYSA-N 592.912 7.119 50 1 KKGF COc1cc(/C=C(C#N)/C(O)=N/c2nnc(C(C)(C)C)s2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 43470168 SMSNPEJAPIZWOZ-CXUHLZMHSA-N 584.542 7.656 50 1 KKGF C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@@H]1COC2(CCCCC2)OO1 44305328 VBAAFVGBLHUYPO-ACHIHNKUSA-N 578.702 7.186 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 85627241 HMIPWTRJAHFUMS-ADEXKBOHSA-N 821.123 6.518 50 1 KKGF biogenic,in-vitro CCN(CC)C(=S)SC(C[C@@H]1C(=O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3)SC(=S)N(CC)CC 103104308 NCSZASMZKPYZPG-UVRZWWBNSA-N 590.899 5.811 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(COC(=S)N3CCN(c4cccc(C(F)(F)F)c4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103194269 IZQLPDPLEOMDCI-KHGLJGPTSA-N 556.647 5.133 50 1 KKGF C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(CCCc2ccccc2)=C/CC1 103525650 DNNNDNDFROEAQG-KVKJLCLCSA-N 626.878 7.385 50 1 KKGF biogenic,in-vitro C[C@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@@H]1[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@H](C)CSSC[C@@H](C3)C[C@@H]12 150360337 LMUGFHQOWDKHKQ-SJSYPFCKSA-N 700.111 10.373 50 1 KKGF biogenic,in-vitro C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 169363553 ZYNDZWJYJYLFBP-CPXVFXRPSA-N 540.716 7.099 50 1 KKGF CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)sc2c1[C@H](Cc1ccccc1)C[C@@H](C(C)C)C2 195486518 PJEFXUVHAWNULU-FXUNQSALSA-N 646.970 9.688 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(C(=O)O)c1)C(=O)Nc1ccc(C)cc1-2 253884008 RHEZKUOKUQRFOV-QGZVFWFLSA-N 551.263 6.568 50 1 KKGF CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1)C(C)C 586921689 UDXLQGHNRRKIFC-NFRHOAOFSA-N 693.826 6.889 50 1 KKGF CCCCCCCCOc1cc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2cc1Br 586972974 DQRWKCYUENOIJM-KRWDZBQOSA-N 522.325 8.111 50 1 KKGF O=c1cc2oc3cc(O)c(F)cc3c(-c3cc(NCCN(Cc4ccccn4)Cc4ccccn4)ccc3-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c-2cc1F 587173273 XEWFUGFDGNNWNI-UHFFFAOYSA-N 806.764 10.654 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324129 WDJMVODNJGVFRU-JTWLRGFHSA-N 547.420 7.148 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cc(C(=O)OC)cc(C(=O)OC)c3)c1C)CC2=O 587462307 XOXBYZVFJKDHBL-LJAQVGFWSA-N 540.012 5.425 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(I)cc1)CC2=O 587473158 XUQKTKFCEZMTLU-LJQANCHMSA-N 501.158 5.205 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587689744 VJYNXGPOBAOQSA-PVKVWUIVSA-N 550.727 6.770 50 1 KKGF N#C/C(=C(\C#N)c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1)c1ccc(Br)cc1 587884596 OFOMNXQCOSTCCQ-IZHYLOQSSA-N 549.255 6.424 50 1 KKGF COCCCN1CCc2ccc(OC)cc2[C@]1(CCl)C1=C(C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C 961321813 KLNNIGXSNBWBSU-IYYXOTGOSA-N 598.199 6.321 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@H](c2cc(F)cc(S(F)(F)(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962476073 QDYZYVNUPYFTNG-IXCJQBJRSA-N 620.571 8.228 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@H]3c3ccc(Br)c(CBr)c3F)c(O)c2C(=O)O1 962970465 QFOWFGDJAGMEIX-WEIJOQNKSA-N 681.736 6.185 50 1 KKGF C[C@]1([C@H](Br)[C@H](Br)c2ccc(Cl)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014172 RRFOXSSSPHZEQM-KVOKEACQSA-N 665.209 7.741 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@H](c2cnn(CCCCCl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963071443 JHKXXRIZFMEDRY-AARKOHAPSA-N 742.165 7.948 50 1 KKGF C[C@@]1(c2oc3ccccc3c2NC(=O)CCl)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963081595 MELOMUOIFJTMQS-JEVSUUQRSA-N 807.192 8.830 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccccc2)([C@H](Br)Sc2ccc(Cl)cc2)N1 963227484 QBBPBFAEBPRWFI-SKBVVQJISA-N 539.882 6.244 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@@H]2c2ccccc2CBr)c1 963554187 SUVKUZSWWPEXOB-VWLOTQADSA-N 568.393 6.342 50 1 KKGF C=CC/N=C(/NNC(=O)c1c(C)nc2cc(C)ccn12)SC[C@@]1(C)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963928777 OKBYGCVNPDNEKV-XIFFEERXSA-N 673.247 5.518 50 1 KKGF FS(F)(F)(F)(F)c1ccc(N=c2[nH]c3ccc(Cl)cc3[nH]c2=Nc2ccc(S(F)(F)(F)(F)F)cc2)cc1 1857557629 LLJZMNZCFUCJNB-UHFFFAOYSA-N 598.919 9.929 50 1 KKGF CC(C)CCc1c2oc3c(c4c(c(OC5CCCC5)c3c1=O)[C@@H]1CCC[C@](C)(O)[C@@H]1O4)CSSC[C@@H](NC(=N)N)C[C@H]2O 2356292440 HDQFXYHJZGYSJY-MCIAVWGOSA-N 631.861 5.653 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)c5cc[nH]c(=N)c5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@H]2[C@H](OCCO)CCCC1 2356293269 LNXFZUKMRYQOAB-HYGXMIJSSA-N 792.077 6.174 50 1 KKGF C=C(C=CC=C(COC1(O)CCCC1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356351927 IBANCOZCIYDINR-AJPAOUBASA-N 857.186 6.577 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)CN[C@@H](C)CCOC 2356360709 MCLJQJFGZWVVNY-LSPXRIJRSA-N 701.046 6.503 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356368288 OHABMJGSMXJYBE-GLLPKELKSA-N 910.249 8.008 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@H](CC)C1)C3 2356372837 NILYHGBHFCMNEC-JYJXOPCRSA-N 814.973 5.702 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)[C@H]2CCC[C@@H](C2)SS5)c1O 2356441175 ILAJELOTGQYLOJ-SAVNSZAJSA-N 821.067 8.467 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H]2c3cc(OC)c(O)c(O)c3CC[C@@H]2SSC[C@H]1c1cc[nH]c1 2356481504 RMYMXOUYPXUOAF-BIKDHEHWSA-N 547.739 6.099 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356763209 AZZSWXNOPOAGTH-KZANZIFRSA-N 913.294 7.849 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)CNC[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)[C@H](c3cc[nH]c3)CSSCO[C@@H]2[C@@H]1O 2356846349 ONBPDZPTHYWIMI-NLKJTTRWSA-N 889.061 7.432 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C)CSS[C@H]3C=CC4=C(NCC=C4C2)N3)CCCC1 2356857710 SLWONZOGJKMRGQ-CJWINGCFSA-N 656.914 7.906 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](c6cc[nH]c6)[C@H]([C@@H]6CC#CCC[C@H]7C=CC(=CC6)c6ccccc67)CNC[C@@]35O)[C@@H]4O)ccc2c(=O)c1-c1ccc(O)cc1 2356861098 UFIRLCBCYHRLDC-RASATGAZSA-N 984.118 6.410 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc(Cl)cc34)cc2)N1c1ccc(Br)cc1 49695426 MONNIKNIIQANRH-ZEQRLZLVSA-N 545.216 6.483 50 1 KKGF COc1cccc(-c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)c3cc(N4CCCC4)ccc3n2)c1 49756073 XXYSCNJLVZSDSE-UHFFFAOYSA-N 578.544 7.439 50 1 KKGF O=C(c1cc2ccccc2o1)[C@H](Br)[C@@H](Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 64448659 QMZKMWLCCZFRDO-IZZNHLLZSA-N 590.271 8.114 50 1 KKGF COc1c(Br)cc2c(c1OC)[C@@H](Br)CCC(Br)(Br)C2=O 73243047 VBTGTZGFJOETGJ-ZETCQYMHSA-N 535.852 5.365 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(I)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056714 QQJPHASDOZFDGG-VGOFMYFVSA-N 534.188 6.341 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Br)C(C)(C)F)[nH]c21 587087831 WAYKBGUVEGYQCR-LJAQVGFWSA-N 635.578 8.007 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C(c1ccccc1)c1ccccc1 587325161 CGKLEMYRAWPACS-FHPVIJFVSA-N 566.072 8.081 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C(Br)(Br)CBr)N1 587670012 HNXRLVODSSRRRN-KSBSHMNSSA-N 508.849 5.045 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 587687465 GVEGHDDBYHWZQM-QWXGXRTQSA-N 501.871 6.501 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](Cc2ccc(F)cc2)NC(=O)OCc2ccccc2)N1 587735346 PLUPUTQVMKOUMV-YICQYGDHSA-N 563.870 6.233 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587956117 UUVOWGWEFKRSLM-KRWDZBQOSA-N 503.334 8.357 50 1 KKGF COc1ccc([C@@H](C[C@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)OC(=O)Nc2cc(Cl)ccc2Cl)cc1 621429268 UAYQRYVLSAYJTJ-YVTIQLQHSA-N 730.686 7.418 50 1 KKGF CCCn1nc(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1=O 653843550 ZSZRNAPJCZOHRK-UHFFFAOYSA-N 597.719 7.627 50 1 KKGF CC(=O)[C@@]1(O)[C@H](Br)C[C@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)NCCc1cc(C)c(F)cc15 962300818 QHEIAMWTVUQICK-GNEMPSDFSA-N 544.549 6.131 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962641025 MXTCNNYJVUZBKY-WXGMZPBLSA-N 633.961 6.752 50 1 KKGF C[C@]1([C@H](Br)[C@@H](Br)c2ccc(Cl)cc2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014181 RRFOXSSSPHZEQM-PVIBPIFHSA-N 665.209 7.741 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cccc(OC(F)F)c2)N1C(=O)c1ccc(Cl)cc1 963034145 YMDQTKJKVKJJAW-CUNXSJBXSA-N 589.820 6.213 50 1 KKGF CC(C)Cn1c(N)c([C@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O 963087406 ADJQYFMUVAAAEG-YAYIQTBWSA-N 663.218 5.571 50 1 KKGF N[P@@](=O)(OCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl 1772658132 UWXPWGQSXVNVTA-HUESYALOSA-N 656.910 7.377 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccc([N+](=O)[O-])cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857542666 KRDGLJHBGVYYFD-ONAYSHBWSA-N 586.630 5.199 50 1 KKGF O=C(N/N=C/c1cc(Br)cc(Br)c1O)c1cccc(Br)c1Br 1857567209 VQNDQLVWERCOME-KPSZGOFPSA-N 555.846 5.206 50 1 KKGF C=C1CC[C@@H]2[C@@](C)(C(=O)OCc3ccc(CBr)cc3)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 1857773903 BWEVAVWUXYFYMQ-WFQCCYMBSA-N 675.660 9.040 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSS[C@H](Cc5ccccc5)[C@H]3O6)C4)C1)C2 2356299766 GTEOLYKODCLBJO-QIJMXEJMSA-N 974.258 10.403 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356312936 NVMJHAZFNIUGRB-BIJYVQJMSA-N 913.172 5.789 50 1 KKGF COC(=O)C=Cc1ccc(-c2ccc(O[Si](C)(C)C(C)(C)C)c(C3C4CC5CC(C4)CC3C5)c2)c(C=O)c1 2356313243 VBQQGLPGXGORLZ-UHFFFAOYSA-N 530.781 8.276 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356349404 DXKBGPCPTODFGM-ZRZDVCOVSA-N 688.063 6.471 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@H]2C=CC[C@@H]3O 2356350364 ARGPYYIXSGLQRL-XXVQDMPHSA-N 944.318 6.393 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@H](O)C1 2356356457 KEPOMKOOYCZBRL-DIVVIGKRSA-N 885.121 7.054 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3CCC[C@@H](CC[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@H](O)[C@H]2O6)C3 2356367236 YWODMNGWCIRMKY-DNGCBJHOSA-N 732.917 6.567 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356443470 NKDDPTCDRGKJDF-BHEQRYGNSA-N 781.997 7.471 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356488822 ASHGPPQUHHGQDO-HGGCIWJVSA-N 833.210 9.261 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC)[C@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2CC[C@H]2CCC[C@@H]12 2356505826 QOLBPFOHLXZTAK-MQVJYEJPSA-N 966.413 7.314 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@]5(CO)C=C[C@@H]6CC[C@H](O)[C@]67CN(C(=O)[C@@]357)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356537555 WSPDSDQYYDWCTM-VFQBZOOYSA-N 988.319 6.009 50 1 KKGF CC(C)=CCC[C@H](C)[C@@H]1C2=C([C@@H]3C[C@@H]3[C@H](C)C[C@@H]1O)[C@H]([C@H](O)[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@H]1[C@H](C)CCC=C(C)C)OC2=O 2356557273 IEWUYJSHCSXBOC-ZEQFVFHKSA-N 636.914 7.446 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCCC4)C3)c2)N1 2356699603 CGUMHYAOPAUYAJ-YFEPIMQASA-N 811.124 7.728 50 1 KKGF CC1(C)[C@@H](Br)CC[C@@H](O)[C@H]1CC[C@]1(C)O[C@@](C)([C@H](O)CCl)CC[C@@H]1Br 2356725301 CXSYXYOPYBYQCA-JDDBJSKASA-N 504.731 5.018 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@H](O)C5 2356754002 XUHVNZPANIRAIJ-KEWQGKJNSA-N 824.159 6.999 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCC[C@]78CCC7(CCCC7)C8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356761316 XBMYRSJNWRODNL-CBODZBGJSA-N 955.242 8.279 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C12CCCCC2 2356769677 KZBVKJOVRMEVHK-ZPRHNFOXSA-N 967.386 8.569 50 1 KKGF COCCC[C@@H]1CCCC[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC4 2356778079 LWZFDFVYXRCGRF-VFMWBZPASA-N 919.220 5.590 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25CC[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@@H](O)C1 2356778354 SMCSWNBKJBIVAF-BLGNVBLISA-N 871.138 7.572 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356812273 BSPLOVWBPFJBAV-BNMSHODTSA-N 853.028 7.284 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356822235 FTGZCWKOEYIQJL-KOUIJLHQSA-N 900.085 5.962 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(C)=C2OC)[C@@H]5C)c1 2356828139 ITAOHCLHJOIXBJ-MGCBJDCJSA-N 786.157 10.356 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](C5)C5(CCCCC5)SS3)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356838787 MDEIXHOOGUJEQO-KGOGDGMZSA-N 808.163 10.490 50 1 KKGF C=C(c1ccc(OCCCOc2ccc(C(=C)[C@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 44351513 AFWWUKGJKAHHFG-FIRIVFDPSA-N 564.675 6.796 50 1 KKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1ccccc1-c1ccccc1)OO2 64447051 QTYJKCWAXYEIJO-VRBLLURPSA-N 515.653 8.241 50 1 KKGF Br[C@@H](/C=N/Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@@H](Br)c1ccccc1 73242175 JRXLDARVHCBKOA-NRTQMZOKSA-N 537.259 6.503 50 1 KKGF COC(=O)CC[C@H](O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 100783868 SFXFJEZXIQVKPD-XMRDSHQESA-N 539.463 5.668 50 1 KKGF C[C@H](NC(=O)/C(C#N)=C/c1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2Cl)cc1)c1ccccc1Cl 103262726 KGVLRQGBFHHVIV-VGMWJOIISA-N 543.454 6.562 50 1 KKGF CCCCCCCCC[C@H](OS(=O)(=O)O)[C@@H](Cl)CCCCCCCCCCCCCOS(=O)(=O)O 169621824 XKTFVUFBGYNAMG-ZEQRLZLVSA-N 565.235 7.423 50 1 KKGF Cc1cn([C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 197991015 QSVJJFGGTNOGQD-INNMJMHTSA-N 618.920 5.762 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCBr 263621119 VHCCBJMTBOAHLF-NDEPHWFRSA-N 577.685 8.821 50 1 KKGF in-vitro CC[C@@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 299836520 NNUYWCYIURXCBY-JYRCXFKTSA-N 584.669 6.450 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299886827 XVMMCUIYMJRLTO-YUOQUXLHSA-N 745.058 9.138 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)cc(Cl)c1 587541860 DNOYOTKYAHYDLF-SQHAQQRYSA-N 528.819 7.202 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]2Br)N1 587687271 YSWPJSXJGBLFFM-WBGLRBOOSA-N 506.254 5.158 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 587724119 ZKHURNQWKJGIAS-VVVCHXIZSA-N 531.569 6.313 50 1 KKGF COc1ccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(O)c2)cc1OC 587926519 IJKVAUBZNYPSIN-UHFFFAOYSA-N 551.331 8.040 50 1 KKGF COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CCC(=O)O[C@H]3O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]3C)[C@]75OO6)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 653802029 JGWCWAKYEPWSKP-JCEJPPDRSA-N 780.820 5.492 50 1 KKGF CC(=O)O[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963020802 NTZNASLOJHXYTM-HARWXIRJSA-N 775.488 7.080 50 1 KKGF CCCCCCCc1ccc([C@H]2C(C#N)=C(C)NC3=C2[C@@]2(c4ccccc43)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963135781 COLPWPWXBSAMMH-IREXDZEMSA-N 678.877 8.650 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@H](c2ccc(OCCCBr)cc2)N1 963169964 GVUIBHBQBAUSNE-PXLJZGITSA-N 662.628 7.220 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cn(CCC[C@@H](C)Cl)c2ccccc12)C1C(C)(C)C1(C)C 963629380 BDJBIKVTXFEXNU-PWXZAKGVSA-N 523.161 7.526 50 1 KKGF Cc1cccc2c1[C@@H](c1sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c1Cl)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862747 GBBUTMYACAWWKJ-YKSBVNFPSA-N 654.638 6.156 50 1 KKGF COc1ccc(-n2nncc2CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1 1772576714 OYRHOFPNJOYFLC-QNGWXLTQSA-N 628.652 5.445 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCCOc2ccc(-c3cc4c(ccc5ccccc54)oc3=O)cc2)nn1 1857551774 CTMWVMZGAHRITN-NDEPHWFRSA-N 628.820 7.394 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)C 2356368858 SNYMARVRECXDLV-GAKOBGPQSA-N 581.838 5.626 50 1 KKGF C=C1C=CC=C([C@@H]2[C@H]3CCC[C@]4(O)CCC(=C(C)C=O)[C@@H](CCCO)[C@@]4(C3)[C@H]2O)COCC#CCC(C)=CCC1 2356371689 ODENFNHLXBCPNW-INPORLADSA-N 548.764 5.772 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]4O)[C@@]65C 2356435527 FMHFCMQGZUSLAS-BFCFEWCPSA-N 926.248 5.288 50 1 KKGF CNCc1c(O)c2c(c3c1CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 2356443344 IRNOEGWRFYMMNZ-KJQFOFRDSA-N 943.201 7.831 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H](C)CSSCNc7cc(ccn7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356468900 UVXPFUPSHUDVFI-APTOPNHOSA-N 684.968 9.565 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@H](CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356714837 LBSCWHVDFSPREN-SQABDZPJSA-N 688.957 5.737 50 1 KKGF CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)O1 2356791299 GNYKSGURCLGHOD-CWFVOIBPSA-N 571.637 7.018 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356824799 GYXHHVMBCVKXEA-MJGLDHQDSA-N 823.139 6.121 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356827773 IPHYYBAICKGLSP-ZQZGFVKOSA-N 924.151 7.654 50 1 KKGF C[C@]12[C@H]3CCC[C@H]4[C@@H]1[C@@H](C[C@H](O)[C@@H]2C[C@H](O)C3)[C@H]1CC[C@@H]2[C@@H](CN3C[C@H]5CC[C@H](CCc6ccccc6)c6ccccc6CSSC[C@@H](C5)[C@@H]3[C@@]2(C)O)[C@H]14 2356833660 KIMLRAHJSJLETM-FFJUUFGXSA-N 770.202 9.612 50 1 KKGF O=C(C[C@H](CCc1ccccc1)NC(=O)c1ccccc1)OC(=O)C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1 36330292 KLAQRURMKQJURT-MEKGRNQZSA-N 576.693 5.699 50 1 KKGF C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CCCC(C)C 85544684 XMLPKUYKVUHGKU-RLBOFNJESA-N 600.881 6.793 50 1 KKGF biogenic,in-vitro C[C@@H](Br)c1cc(=O)c2c(CBr)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 95540100 YVWHZDLWZHYUSI-ASKNCJOJSA-N 822.540 7.055 50 1 KKGF CC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@@H]3C[C@H]4C(C)(C)O[C@@](C/C=C(\C)C=O)(C3=O)[C@@]14O2 95911589 NTZQQDZXDGOJFE-KQJOHQLMSA-N 546.660 5.657 50 1 KKGF biogenic,in-vitro COC(=O)C[C@H]1[C@H](Sc2ccccc2)C(=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195140349 XWOLFTQDSINJLU-QQJNOOCOSA-N 548.777 5.219 50 1 KKGF CC(C)(C)OC(=O)NCc1nc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1 587014241 NIUIXMMFFMPVIC-UHFFFAOYSA-N 535.358 7.131 50 1 KKGF CC(C)(C)CC(=O)Nc1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587242367 RCXSCFHDHAYUEO-UHFFFAOYSA-N 512.342 8.025 50 1 KKGF COC(=O)C(C)(C)c1ccc([C@@]2(CCCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587326994 NTRVLNRMQBRXBI-ABYGYWHVSA-N 510.989 6.255 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1ccccc1 587327318 PCELICMIEFYAIQ-GGXMVOPNSA-N 518.972 5.827 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)c(F)c2)[C@@H]1c1ccc(F)cc1 587339692 ZGNCTBOLTUGVGL-IRLDBZIGSA-N 524.155 6.082 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 587543315 KHCONVOAUNBTDU-JZRGNDHQSA-N 509.989 7.273 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619876 VIENFHSIUPGOAI-DLFZDVPBSA-N 576.070 6.424 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 587673465 NALXEOXPHYKHRF-CMJOXMDJSA-N 517.240 7.176 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N1 587684593 LGIBFXFLOWTLJN-NREPNLDQSA-N 545.880 6.094 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc13 587717668 LWCZHDWTJRGDGC-PLBKYADESA-N 693.069 7.464 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)[C@H](Br)C(=O)c2cccc(Br)c2)c1 587875570 XWTVUKTWEFYEOP-DEOSSOPVSA-N 622.140 6.295 50 1 KKGF CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C\C(=O)O 587941926 ZCDJASNBFPQDCD-NUKLGYDPSA-N 768.348 7.827 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@H](c2ccc(OCCCBr)cc2)N1 963169962 GVUIBHBQBAUSNE-OIDHKYIRSA-N 662.628 7.220 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(OCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c(OC)c1 1857586783 NNTDXKZRSQYNMR-YDNIURCNSA-N 709.880 8.324 50 1 KKGF CCCCCCCCCCCC1=C(OC)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1857649101 DDXLCUPXJUKDNC-QFIPXVFZSA-N 507.587 5.630 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCC4CCC(CC4)[C@@H](CC1)[C@@H](O)C2)CC3=O 2356298528 JJMUCYRTZKBBSW-OECWTKQBSA-N 981.383 9.678 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]41CCC[C@H]5[C@@H](O)[C@H](O)C1 2356361301 YLFPSYKZMMZICJ-APWUZXBDSA-N 850.197 7.389 50 1 KKGF CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC=C(C)CCC=C(C)C)O[C@@H]2O 2356392318 YTKIDWSBNOYJSZ-WQYBSLGLSA-N 612.892 8.636 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@]3(C)O[C@H]([C@@](C)(O)CC[C@@H](O)[C@]4(C)C[C@H](O)[C@H](C(C)(C)O)C4)CC[C@@H]3O2)CC[C@@H]1Br 2356440302 VVPGMZKHHNSPAS-WDRBVYMXSA-N 619.678 5.023 50 1 KKGF CCCCCC[C@H](O[Si](C)(C)C)[C@@H](CCCCCCCCCCCO[Si](C)(C)C)O[Si](C)(C)C 2356482069 HBNCJFAXTOPHAP-WUFINQPMSA-N 533.075 10.150 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356639534 UMTFJRSOKDQKEG-RITSTGFBSA-N 692.900 6.583 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]2([C@@H](C)O)C#C[C@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@@H](CCN4)Oc2cc(c(C(O)O)cc2O)C[C@H]31 2356669018 JZPXAVBQURODFY-KAWBJQGNSA-N 900.262 5.555 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@@]1(C[C@H](CNC3CCCCC3)C3(CCCC3)C1)C[C@H]1[C@@H]2C[C@H]2CSSC[C@@H](C)NCc3ccccc3Cc3cc(O)cc(c3)C[C@H]1C2 2356735178 ALCHOLVLMLSLBL-VYWOAVEOSA-N 781.273 12.303 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=C[C@H]3C=C[C@@]4(CCC[C@@H]5[C@H](O)C[C@@H]6[C@H](CCC67CCCC7)CSSC[C@@H]3N54)[C@H]2[C@@H]1C 2356810935 BCSCQZNVNIKJSO-UWIPLPGWSA-N 611.870 6.736 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@H](C2(c3ccccc3)CCCCC2)SSC1 2356817667 DMIVCGWIPGDEJO-XMQBJVNRSA-N 646.919 7.655 50 1 KKGF Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2o1 26404082 RKABJTHZBMXJAJ-GOSISDBHSA-N 540.959 7.174 50 1 KKGF O=C(Nc1cccc(Cl)c1)c1ccccc1SSc1ccccc1C(=O)Nc1cccc(Cl)c1 29471044 JYBJBVCVTSKZME-UHFFFAOYSA-N 525.482 8.297 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccsc2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 43648952 ZUXDAZANGKORIH-GEXZUPFJSA-N 579.542 5.909 50 1 KKGF CCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 82191199 PQBOOJWKELKJDE-QNGWXLTQSA-N 732.912 6.248 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4[N+](=O)[O-])cc3F)ccnc2cc1OCCCN1CCCCC1 96283538 LDEQMSCZNQVTSH-XICOUIIWSA-N 616.650 6.493 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2cccc(Cl)c2)c1 103184456 AAYUILPTCLRKIS-GOTSBHOMSA-N 587.257 6.299 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(C[C@H](C)CC[C@@H]1C(C)C)OO2 299847087 GVEWMTYYJNQRSH-DJVLMGNZSA-N 690.915 7.713 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587257355 IFDINHQUKROZQQ-SIBQOMCCSA-N 904.002 7.895 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)cc2)no1 587538096 NINBPHVUJKKIFK-QPPBQGQZSA-N 512.743 5.953 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587671597 UWPZZJYBHPCGKD-WIDSHULWSA-N 577.288 6.030 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587685712 AVAATEUZKBFHOC-ZXOINBKBSA-N 592.889 5.891 50 1 KKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587710695 HGUHSMQWHYZNQU-LAJNKCICSA-N 531.438 6.846 50 1 KKGF CCOc1ccccc1[C@@H]1C(C#N)=C(N)OC2=C1OC(CO)=C[C@]21c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963013107 HYZKHSPTDRWHNW-ZULCAZRWSA-N 665.102 5.193 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccc(/C=N/NC(=O)c5ccccc5)cc4Sc4ccc(C(F)(F)F)cc43)nn2)cc1 1857542421 JSBLNBQMUHRTGG-YSYOEVFLSA-N 609.637 6.784 50 1 KKGF CCCCCCCC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](OC(=O)CCCCCCC)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC1=O 1857761106 GDZDHMVAFKQNOX-YOHXWRSMSA-N 759.465 9.377 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@]([C@@H]4C=C[C@@H]5CCC[C@]5(C[C@H](O)CO)C4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356301818 YPJNVFUAPXFXJI-ZQHDLSNZSA-N 958.256 8.092 50 1 KKGF CCCC[C@@H]1CC[C@@H]2CCC[C@]23c2cc(c(O)c(O[C@]4(CNC)CC[C@H](C[C@H](O)OC)C4)c2)NC(=NC)NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H]13 2356353960 DVGYYPMYMCHVFP-DOYYRRCJSA-N 893.270 9.347 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c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c5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@H](C)C(C)C)CC[C@@]4(O)C1=CC3=O 2356551635 MOJYGLPVUZPANX-OZYJTGKRSA-N 940.319 7.342 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@@H](C)[C@H](O)c2cc(O)c1c(O)c2 2356652659 LERNCFONJSWYRR-PSEBVYMRSA-N 653.728 10.014 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)CNCC 2356762221 IMFJJUNWTSZUJV-FZDZAZGKSA-N 701.005 6.173 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356774465 YCKKBGSMVPNQHX-ZMBNCUKSSA-N 861.221 8.145 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@@H]41 2356775426 LHYVXSQHIWBARK-MHGWSUQMSA-N 918.280 5.862 50 1 KKGF CNCCOc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OCO)c3-c3ccc4c(c31)O[C@H]2[C@@H]4COC(C)=O 2356775577 OLZORRZWXFXYAW-BZEUYSDMSA-N 611.738 5.007 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356846225 OLLOVYAJHBDPGN-AOOCBSGRSA-N 841.109 6.435 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NC[C@@H](CCc4ccccc4)[C@@](Cn4ccnc4)(SSC1)C3=C2 2356855706 RSLLQCDEEIXSLN-NRJOOQKGSA-N 698.955 6.914 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3ccc(Cl)cc3n2C)c(C(=O)Nc2ccccc2)c2ccc(Cl)cc21 26167025 MDHSVFAJRLCBEE-UHFFFAOYSA-N 631.610 9.281 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 49867154 ACRMTHSZHIGDGF-CGCCWUEZSA-N 655.380 9.155 50 1 KKGF CCCC[C@H]1CCCC[C@H](C)[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 58575961 LERNCFONJSWYRR-CCNIBDGSSA-N 653.728 10.014 50 1 KKGF COc1cc(/C=N/NC(=O)Nc2ccc(-n3c(C)nc4c(Br)cc(Br)cc4c3=O)cc2)ccc1O 84596875 ILQRVXCHLRHMLS-KKMKTNMSSA-N 601.255 5.089 50 1 KKGF Cc1ccc(C(=O)NC2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc1 102823956 DEHOPJIMCIIWBF-MHZLTWQESA-N 607.519 5.725 50 1 KKGF CC(C)(C)c1cc(CN(Cc2ccccc2)C2=NC[C@@H](CI)S2)cc(C(C)(C)C)c1O 103948468 SUSIBZRGTKHVED-HXUWFJFHSA-N 550.550 6.896 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 150343741 LNRFRRHHKDKHJL-JACPRZGOSA-N 1034.400 12.156 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CCCSSCCCC(=O)N[C@H]3CCc5cc(OC)c(OC)c(OC)c5-c5ccc(SC)c(=O)cc53)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 150537362 JSCUVJNHACYMLY-LVDSUTSTSA-N 990.184 8.481 50 1 KKGF CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1NNC(=O)OC(C)(C)C 169708259 FMRRTKDSODWWKV-ZXVVBBHZSA-N 515.602 5.654 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)Nc1ccc(-c2nc(NCCCN3CCOCC3)c3sccc3n2)cc1 299835135 KNVBPUUPBJOXNP-WCMJOSRZSA-N 689.434 5.879 50 1 KKGF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCOCCOCCOCCOCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 473121155 FSJGWLLFGFBRCF-BNSGIDKQSA-N 784.007 7.962 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587012409 JELCHFXAAGXNAS-UHFFFAOYSA-N 525.160 7.746 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)[C@H]1c1ccc(F)cc1 587326790 NCALSOZYMCXHGR-NYDCQLBNSA-N 542.006 6.618 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539309 VGYZKCMPMAAAPA-MCVWCKRISA-N 504.174 5.795 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587542826 JMZVJJIYJYVBNO-USYLIWBBSA-N 593.117 6.346 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557742 SREFBRYFUVRUFJ-HVOOWTIGSA-N 623.117 5.679 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 587671945 BWFSFFCFMVPWHT-HWRSSNJWSA-N 558.245 5.562 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 587673870 QZTXXWPSTIKDJC-HWRSSNJWSA-N 558.245 5.562 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 587717438 WZPDPWQUUCSYMY-LUXWBGSOSA-N 612.440 7.975 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)/C(=C/C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 587794879 VOBRJVBIRXBPRE-ZOMQJQRASA-N 617.566 7.735 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587858294 PYQBLERTJUONJE-HGKJHCCASA-N 606.001 7.177 50 1 KKGF CC(C)(C)OC(=O)NCCCNC(=O)CC[C@@]1(CCOC(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)OOC2(O1)C1CC3CC(C1)CC2C3 621477696 HWKDXDRXONMRRI-PQLWJSHESA-N 825.932 5.461 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1ccc(I)c(C(F)(F)F)c1 961780637 WPPLKXGOHZRKHV-DEOSSOPVSA-N 651.305 7.100 50 1 KKGF CCCCCCCCCCCCCC[C@@]1(CBr)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962665206 LPENTYMNYJDYGT-IHLOFXLRSA-N 545.606 8.015 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)([C@@H](C#N)c1ccccc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963797128 XYMYDCNDEFIQNO-JHOBJCJYSA-N 572.459 5.350 50 1 KKGF C=C(CC[C@@H](C(=O)O)[C@H]1[C@H](O)C[C@@]2(C)[C@]34C=C[C@@]5(OO3)C(C)(C)[C@@H](OC(=O)CO)CC[C@]5(C)C4=CC[C@]12C)C(C)C 1772656230 LMEMBPKCZMYYLN-BSBNKEKMSA-N 572.739 5.143 50 1 KKGF CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 1857556240 UTVGMDHMDAFOBZ-UHFFFAOYSA-N 595.121 6.992 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@@H]1C)N43 2356309763 LCRAMWCFHNHXFP-PCBGOLKVSA-N 655.967 8.130 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356367154 XBLBCMDGVHBGLN-VPKWMMIOSA-N 903.173 7.811 50 1 KKGF CNC[C@@H]1SSC[C@H]([C@@H]2C[C@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@H]1C2 2356483818 YZJNNQHPNBUBGJ-KWXHXYSNSA-N 724.942 6.751 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC2(CCCC2)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356517527 MPPAHWJMGKOSKV-KZEKTHQRSA-N 892.330 8.506 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CC[C@H](Br)C(C)(C)Cl)[C@H](Br)CC[C@@]2(C)[C@@H]1Cc1cc(Br)cc(Br)c1O 2356672648 RWUQIKIJRXVZFL-ADTFMVTCSA-N 718.634 10.173 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356696878 XWZFZHPAQIJHEA-LKEAXWHASA-N 877.135 7.280 50 1 KKGF COC(=O)C(CC(=O)O)=C(CCCCCCCCCCCCCCCCC1=C(C)C(=O)OC1=O)C(=O)O 2356813213 CEHIEDLEARJTCQ-UHFFFAOYSA-N 522.635 5.657 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356829362 IXRSIWAVHKHRSU-IPBOGWRUSA-N 879.247 7.448 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC5(CCCC5)[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@H]1CO)N43 2356829435 IYGLSPFEEPOFST-MYGGAKITSA-N 818.155 8.324 50 1 KKGF Cn1cncc1CN(Cc1ccc(Cl)c(Cl)c1)C(=O)N1CCC(C#N)=C(c2cccc3ccccc23)C1 36330301 KVWMCWMRPHPVTC-UHFFFAOYSA-N 530.459 6.685 50 1 KKGF COc1ccc(Cl)c(-c2noc([C@H](C)Cl)c2COc2ccc(-c3ccc4c(C(=O)O)cn(C)c4c3)c(C)c2)n1 70622160 WSJSCNINNFUUQG-INIZCTEOSA-N 566.441 7.443 50 1 KKGF C/C(=N\NC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1-c1cccs1)c1nc(-c2ccccc2)[nH]c1C 71341529 QOFBTYLDTQQWLE-UVQWOQOBSA-N 517.618 5.747 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(F)c1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96908489 WMZFAUQACNMASX-SSEXGKCCSA-N 573.603 7.118 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(Br)cc(OC(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057338 VFCFHPNJIOKSCL-AUWJEWJLSA-N 570.196 8.003 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](COC(=O)CC)([C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C)CC2=O 587470136 DPJIZZYMYXHGPE-UNOFTKPGSA-N 701.228 6.140 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccc(Br)c2)([C@H](Br)C(=O)c2cccc(Br)c2)N1 587669594 FKDOOFDXDIWVLZ-SHAMJUJCSA-N 675.028 7.537 50 1 KKGF CCOC(=O)/C(=C(/C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587690100 ZBRFFXQHIHPIGM-SGTKRKBYSA-N 525.846 5.514 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br 587842884 GWYKAWOGPZDLTB-WIPGAUKJSA-N 919.053 9.774 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl 587851056 URMQQFFVFHPHDN-APBUJDDRSA-N 574.137 5.861 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(/C(C#N)=C2/NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 587859455 WVGAGBVRKIJPNR-NDMYSOCTSA-N 548.953 6.686 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2F)N1 962924891 XJOBTDJSTLLWAV-GMAHTHKFSA-N 540.307 5.580 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963139497 LMKYQRMAWIYDQB-RUZDIDTESA-N 617.384 6.661 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCCCCl)(c1ccccc1F)N(C(=O)c1ccccc1N)CC2 963158025 MFBUIBTZKINZHX-GDLZYMKVSA-N 511.037 6.166 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1cccc(OCc3ccccc3)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808835 TXIYXRPAWMRLLN-DHUJRADRSA-N 639.546 6.670 50 1 KKGF Cc1cccc2c1[C@@](CBr)(c1cccc(F)c1Cl)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863030 MKJYZWNOBJMYBZ-VOIUYBSRSA-N 526.830 6.063 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c4c2OC[C@H](CO)CCc2cc5[nH]ccc5cc2[C@H]2CC(=C4C(C=O)=C(C(=O)OCC)O3)CCC2=O)O1 2356363421 JKYBHJNPWYKTGX-ZODCJBFYSA-N 741.878 6.318 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSSC[C@@H]([C@H]4C=c5ccccc5=CC4)CCc4ccccc4Cc4cc(O)cc(c4)C[C@@H](C3)C2)C1 2356367259 ZJXCALIRMZXQTI-OKDZQISOSA-N 649.022 9.775 50 1 KKGF CC(C)(C=CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)C3=CC(=O)[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)OO 2356406162 ORHJTDMTWRWOIU-SNXUVTRISA-N 518.691 5.018 50 1 KKGF CN[C@@H]1CC[C@@H]2C[C@]3(C[C@@H]21)C[C@H]1[C@H](C[C@H]2CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C2)[C@@]1(C=CC[C@H](C)C1)C3 2356503634 ODKIZCHYXINMPW-UKHPNZLWSA-N 685.100 9.818 50 1 KKGF C[C@@H]1CC[C@H](O)[C@]23[C@H]4[C@]5(C[C@@](C)(C#CC[C@@]6(C[C@H](Cc7ccccc7)CC[C@@H]6CSSC[C@H](Cc6ccccc6)C1)C(=O)O5)[C@]2(O)CCC1=CC(=O)OC1)NN[C@H]1CCC[C@H]1[C@@]4(C)CC[C@H]3O 2356575551 RROLLMKSHDNECO-ODHWSHAMSA-N 951.349 9.144 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356778956 IAHKUGQJSODANE-RKKOLDTNSA-N 882.291 7.163 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356832407 IAXLBHHTSOMWGZ-TZCDCAHRSA-N 903.269 7.606 50 1 KKGF CNC[C@@H]1C[C@H]2CC[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(CN5C=C6N=CC=C6C5)[nH]c4=N)-c4cc(cc(N)n4)CC[C@H]4O[C@@]24C(=O)O[C@@H]13 2356834395 KMUYBPONCQKJTA-GSJQLIAZSA-N 890.101 6.394 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356856280 RZJAKKCBCURJHR-LVLBGVPOSA-N 845.005 6.122 50 1 KKGF O=C1[C@H](Cl)[C@]2(CC(/C=C/c3ccccc3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009701 ATBZTJLBWDORJQ-OPIMXGKCSA-N 551.049 5.173 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC[C@@H]3O[C@@H]3CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49775000 VQTXHRQDQQJFKV-HABHYIEFSA-N 636.779 5.203 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O 49850499 OVBLSEULFQICCP-NHCUHLMSSA-N 630.311 5.377 50 1 KKGF CCCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Oc1ccc([N+](=O)[O-])cc1 82190958 CMUFLNAPVHQCIY-YTTGMZPUSA-N 652.833 6.332 50 1 KKGF CNC[C@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1[C@H]1C=CC[C@@H](C)C1 85595581 QRLRTTIDFWWHKD-RTYCXRMRSA-N 806.097 6.157 50 1 KKGF biogenic,in-vitro COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccc([N+](=O)[O-])cc4)C(=O)N3c3ccccc3)s2)cc1 103180328 UZIWWAUVLBJGAG-MAGWUSJRSA-N 614.665 5.443 50 1 KKGF CCc1ccc(C(=O)N(SSN(C(=O)c2ccc(CC)cc2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 150572458 ODCKORJZYUEPTR-UHFFFAOYSA-N 767.074 10.553 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169313916 ZYLUBFUCBZLRNB-TZBDXOOFSA-N 583.297 10.518 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)OC/C=C/CBr)CC[C@]3(C)CC[C@]21C 169350672 QXKIVQKIDVKKTD-GTBRJVQMSA-N 603.682 7.822 50 1 KKGF CO[C@H]1/C=C/C=C(/C)C(=O)Nc2cc(O)c(NC(=O)c3ccc(CCl)cc3)c(c2O)/C=C(\C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 169718288 UHSFRLRTFMXNHT-YODDWWDQSA-N 698.213 5.774 50 1 KKGF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586956639 QQLSVYFHQWDBCT-UHFFFAOYSA-N 610.424 7.410 50 1 KKGF CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CCCCNC(=O)OC(C)(C)C)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587201101 VDOPWYPLSPPLNF-LJAQVGFWSA-N 680.740 9.837 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 587670464 KPPQVVZILKHNBR-HUTHGQBESA-N 537.021 5.390 50 1 KKGF CO[C@@H]([C@H](O)C[C@]1([C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]2O[C@@]3(CC[C@@H]2C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O3)N[C@H](C)Cc2cc(Br)c(F)cc21)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587834351 QXHHFLAJZWVVIN-KVTXKBCNSA-N 981.047 7.548 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 962695911 COEYAXIZNKQVIZ-QPPBQGQZSA-N 546.895 5.935 50 1 KKGF C[C@@]1(c2ccc(CCl)cc2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085251 YWQCKWSPKCWYAY-PILPWRDFSA-N 724.146 8.645 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc(I)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963728153 GIUGALWAEGPPHX-MUUNZHRXSA-N 659.318 5.696 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1ccccc1Br)c1ccccc12 1772618779 YRVNSLXQJRLOJI-BHVANESWSA-N 677.522 6.199 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@]2(C)[C@H](Br)CCC(=C)[C@H]2Cc2cc(ccc2O)C(=O)O1 2356581013 HNTZDLDNNWJOBB-DWDRJFQZSA-N 503.477 6.504 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H](CO)CCCO)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@H](NC1CCCCC1)CSSC2 2356621062 NZSVPOHVCYIHDN-CYTLCNBWSA-N 735.965 7.737 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356644333 BKOJBYQIPKBGCK-BPDGOUTGSA-N 896.318 7.335 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356772676 GGMVKMHEZFTCCA-NCIJBYHGSA-N 925.305 7.444 50 1 KKGF COc1ccc([C@@](C#N)(CCCCCN2CCc3cc(OC)c(OCCCl)cc3C2)Sc2ccc(C)cc2)cc1OC 26272511 XJJRDDRVPIDPGW-UMSFTDKQSA-N 609.232 7.768 50 1 KKGF N#CC(=C(/N)Sc1ccccc1Br)/C(C#N)=C(\N)Sc1ccccc1Br 34802611 NZCOWCFQYURRRX-JYFOCSDGSA-N 508.264 5.484 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NCCCCO)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 85597345 VHABTLWTFGCFGT-OWARKJHGSA-N 779.034 7.615 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 85627244 KICFRMDKTWYILV-MCCOQDCHSA-N 851.193 7.568 50 1 KKGF biogenic,in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C[131I])[C@H]3CC[C@@]21C 118913216 FIOAEFCJGZJUPW-ODFYUTSGSA-N 516.562 7.804 50 1 KKGF in-man O=C1[C@@H](Cl)[C@H](c2ccc(O)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586968 ATOREEIPCPXFIJ-TWJUONSBSA-N 746.876 9.190 50 1 KKGF CCCCCCCCCCC/C=C/CCCC(=O)OO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 238734154 GMOLPOGBPMOLSJ-IQPHRTHCSA-N 653.089 13.519 50 1 KKGF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587141347 PVHRKOKXQYUUJT-MRXNPFEDSA-N 600.832 7.841 50 1 KKGF COc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] 587539688 XLUVESVWWYMTPY-MBSDFSHPSA-N 534.746 5.523 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cc(Cl)ccc1Cl 587544328 NRRIUFHRNPMMDZ-SQHAQQRYSA-N 528.819 7.202 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(Br)c2F)N1 587725503 QOMAVTPLVYHGTG-XYZCENFISA-N 510.014 5.663 50 1 KKGF COc1ccc([C@@H]2[C@H](Oc3ccccc3)C(=O)N2c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 653695845 WZNULWJBDCXEOA-ZUBDYPCQSA-N 736.693 7.502 50 1 KKGF FC(F)(F)c1cccc(-n2cc([C@]3(CCl)c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)nn2)c1 962635166 MTXFWWVZNFCFKX-IGKIAQTJSA-N 523.990 5.515 50 1 KKGF COc1ccc(C(=O)[C@@H](Cl)[C@]2(c3ccc(OC)cc3)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962953502 IUWZHADRODFHCR-XRKRLSELSA-N 560.012 6.108 50 1 KKGF CN1C(=O)C[C@@H]2CN[C@](CCl)(c3ccc(Cc4ncc(C(F)(F)F)cc4Cl)s3)c3cccc1c32 963018869 CUKHPOBTLJKVPC-ZLOXQWCVSA-N 526.411 5.942 50 1 KKGF O=C(NNc1ccccc1)c1cc([C@]2(c3ccc(Cl)cc3)NCCc3c(Cl)cc(Cl)cc32)c[nH]1 963126311 XCZLOVWBAQPBMA-SANMLTNESA-N 511.840 6.169 50 1 KKGF CCCCCCCCCCCCCC[C@]1(CBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963225811 BHLVTOGPVKIXMU-OMGNGIFRSA-N 794.740 10.150 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)cc1 1857557599 FLBYLWBSAPEGOT-URUXSBGHSA-N 693.881 8.705 50 1 KKGF COC(C)(C)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CCl)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]3CC[C@]12C 1857764315 PRVPYVYWQZTADB-TXYJNXEWSA-N 645.749 7.929 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356355831 HONPUKPBSXXFMA-FDPROWRKSA-N 970.345 6.704 50 1 KKGF C=C(C)[C@H](CC[C@]1(C)O[C@H]([C@](C)(O)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)C[C@@H]1O)OC 2356475140 QDLARPIFFMRRKI-IAHDQKHASA-N 617.662 5.614 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]12O 2356484484 WODQCNNHFKTBGP-HDVRHTDCSA-N 968.425 7.941 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)CN1C(=O)[C@]23[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]23C[C@H](O)[C@H](O)C[C@]2(C)[C@H]2C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@@](O)(C2=CC3=O)[C@]54CCc2cc(O)cc1c2 2356608045 ASEWKJIOKJOKEW-URJZHRNMSA-N 991.367 6.317 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C[C@@H](CO)CCCO)c(=O)oc5cc1O2)[C@H]43 2356698185 LPMZRDUHYGUTOV-WVNDEOMPSA-N 831.070 5.095 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CCO)CCC[C@@H](CC4)[C@H]3O)C=C12 2356804274 ABESETDPHSYTIA-HAJRCSCFSA-N 846.169 5.697 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H](Cn2ccnc2)SSC1 2356866924 VPJDBWUZIAVVBM-SHTFFXNMSA-N 594.803 5.355 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCCCC3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145554 MMUDVQAASAQWRJ-XZCMQALBSA-N 558.807 7.218 50 1 KKGF Cc1sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c(C)c1-c1ccc(OC(F)(F)[C@H](F)Br)cc1 103205642 OJSQPUGUQKFXBX-QFIPXVFZSA-N 574.825 7.949 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](C[131I])C4=C(CC[C@H](O)C4)[C@H]3CC[C@@]21C 118913163 QJHZPCLORSPENH-DRTKWHMQSA-N 516.562 7.804 50 1 KKGF in-man CCCC1(CCC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O 169314114 SQRZATQTBAUCNX-CFJPIPSDSA-N 761.784 6.885 50 1 KKGF C[C@H]1[C@H](OC(=O)CCC(=O)NCC(C)(C)CNc2c3c4ccccc4nc-3n(C)c3ccccc23)O[C@@H]2O[C@@]3(C)CC[C@H]4CCC[C@@H]1[C@]42OO3 473122478 JHMPLGXXVREDQM-FWTIKWPGSA-N 684.834 6.671 50 1 KKGF COc1cccc(/C=C/c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cc(Br)ccc3n2)c1 587004485 XALNQODKYNOESX-VMPITWQZSA-N 514.383 5.323 50 1 KKGF COc1cccc(/C=C\c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cc(Br)ccc3n2)c1 587004486 XALNQODKYNOESX-YVMONPNESA-N 514.383 5.323 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4ccccc4cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190177 JDIXYUWCOMDMTA-DSJMTEJSSA-N 611.827 7.748 50 1 KKGF CCCCCCCCc1ccc([C@]2(CCCl)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)cc1 587282678 BHDDEYYHQHSTKV-LYNNLTLXSA-N 697.221 5.323 50 1 KKGF O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)o1 587496014 GMZKRUJGUKHLNG-SANMLTNESA-N 528.830 5.685 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670337 KEOUSRBDEXCJEF-JRLRZGBRSA-N 519.252 6.942 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1 587684731 ZYJZGYGWVBLJJM-SHAMJUJCSA-N 630.577 7.381 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 587713000 RLPHCEKKKRXGNP-XYZCENFISA-N 549.122 6.799 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(F)c(OC(F)(F)F)c2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962701669 ARAVYDCCVWRQIT-LWQYYNMXSA-N 762.545 7.480 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(c3ccc(N4CCOCC4)cc3)C(Br)Br)c(O)c2C(=O)O1 962942813 CAPQJTYTGHBKMH-AHSWZQQHSA-N 748.852 5.495 50 1 KKGF CS/C(Nc1ccccc1)=C(\C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962949880 DJHVMWPHTSQRTC-ZHYLIBGPSA-N 703.834 8.762 50 1 KKGF Cc1cc([C@@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)cc1 962953586 JKOSBPANPWMDQE-SANMLTNESA-N 523.426 6.900 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(C[C@@H]1CO[Si](C)(C)C(C)(C)C)c1c(F)cccc1C[C@@H]1CCCN12 963100520 BKDWMLTXAUNZTI-TYPXCFOJSA-N 504.763 6.463 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccccc21 963176328 HLRUKYOEJQCVBH-CUNXSJBXSA-N 547.404 7.082 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963352180 KHFAWLLIOFCVEQ-BZKUTMRRSA-N 667.383 7.686 50 1 KKGF C=CCN/C(SC[C@@]1(C)c2cc(O)ccc2C[C@@H](C(=O)OC)N1C(=O)OCC1c2ccccc2-c2ccccc21)=C(/C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 963352223 KXAYIVRIBLOCIE-OZXNYHAZSA-N 868.028 9.034 50 1 KKGF C=CCN/C(SC[C@]1(C)c2cc(O)ccc2C[C@@H](C(=O)OC)N1C(=O)OCC1c2ccccc2-c2ccccc21)=C(/C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 963352226 KXAYIVRIBLOCIE-XMMFTQIMSA-N 868.028 9.034 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@]2(C(C(=O)O)=NN(c3cccc(Cl)c3)C(=O)[C@H]2I)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381207 RLPVUJUEDXZIBO-BLBFUMABSA-N 791.982 5.881 50 1 KKGF COc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1[C@H](CN=C=S)c1ccccc1 1911577202 LSYZEDULOVQWGY-QIDLSXJSSA-N 546.645 5.456 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@@H]([C@H](O)[C@H]64)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@@H](C)O 2356354580 MZGQAWCADDXVMG-MHRLQAFDSA-N 947.366 6.384 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@H]2CSSC[C@]34C[C@H](C[C@H](CCCCNC(=N)N3)C4)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356360883 QSJFCWYCYGJVRJ-DVBFDQOBSA-N 793.021 6.810 50 1 KKGF COc1cc(CC2([C@H](C[C@H](OC(C)=O)[C@@H]3CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@](C)(O)CC3)OC(=O)[C@]34CCCC[C@@H]3CCC(=O)N4)CCNCC2)ccc1O 2356371244 YAFVXHXNMAMVOB-INCHPWJRSA-N 864.225 6.464 50 1 KKGF CNCc1cccc([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@@H](CO)C5)c1 2356372227 AHDBGEZCBGQJDZ-SBZUFTEKSA-N 666.998 5.773 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSCC6(CCCCC6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@@H]41 2356449266 HEKMSWFVVODRDD-RQWXKDMWSA-N 866.204 5.059 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@H]1CCO)C[C@]2(C)O)CCC=C(C)C 2356565386 BCHINQNSSLQLBZ-LGTIYWFCSA-N 536.753 5.526 50 1 KKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(OOc3cc(C)c4c(c3)CC[C@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O4)cc(C)c2O1 2356586054 KLUVLOVWHKMXTO-PJYGOTMFSA-N 791.214 16.242 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356638332 ZVUXZIIHUFVJDO-XGRCZEEKSA-N 817.121 5.307 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356746993 HHYMAGIJRRFVLZ-QVBNSUSVSA-N 803.141 7.566 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NC1CCCC1)c1cccc(CO)c1)CC(=O)CC2 2356752309 XQXMYDPXOIVRBT-FRQQJOPASA-N 701.951 8.992 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356780443 WQXRNKLSXOZKHF-ZFNZOBHJSA-N 612.898 6.515 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSS[C@@H]2CCc3c(cc(OC)c(O)c3O)[C@H]2CC(=O)C[C@H]1OC(C)=O 2356806359 AGFGLSBSGIXVAL-SSIFJDQWSA-N 547.739 5.614 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@H]1C)N43 2356809110 ANKSCTSXBDOTKQ-XJIQUQCRSA-N 693.972 7.011 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(C(=O)OC)OO[C@@]2(O)C4=C3C)C(CC)=C1C 2356819153 DZJFUXNLJISKAL-VKJURMQRSA-N 901.202 11.807 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1C1=CCN=C1 2356829756 JBRSDHOHTQLFBM-JTNQZFQKSA-N 801.960 5.365 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](c1cccc(O)c1)C1=CC2=CN[C@H]1N 2356874737 YYQXEOXJZFUMSZ-IJCVSSEZSA-N 604.794 6.311 50 1 KKGF CCOC(=O)C1=C(CSc2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802466 RBXKJOZSEFAMAW-MHZLTWQESA-N 557.682 6.853 50 1 KKGF COc1ccc(/C=N/NC(=O)c2cnc3ccc(F)cc3c2N[C@@H](CSc2ccccc2)CC(=O)N(C)C)cc1 49762309 DDDMICVZQKZJAI-VURWSNAVSA-N 559.667 5.198 50 1 KKGF CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@@H](CO)[C@@H](OO)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC 95661738 JHUJPKVBFXKXPT-YCZMKUBXSA-N 795.108 9.382 50 1 KKGF in-vitro N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CCCCCCCCCCBr)c1ccccc12 98084183 RUPYLHGITNAEND-SSEXGKCCSA-N 576.491 6.028 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C(=O)O[C@@H]1[C@H]3C1CCC4CC1 150345638 RPUSCRVBOZWBMN-SRHRHDKGSA-O 846.024 6.900 50 1 KKGF biogenic,in-vitro C[C@]12CC[C@@H]3[C@H](CN=C4[C@@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 169715232 MYYLULRVFXQYTI-ZTEXGBFYSA-N 562.982 7.153 50 1 KKGF CC(C)[Si](Oc1ccc(C[C@@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](CCc3ccccc3)C[C@]2(C)C=O)cc1)(C(C)C)C(C)C 254135407 PFPUPXYWDOJOFU-QRWXSKHGSA-N 628.886 8.813 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(F)ccc2Br)[C@H]1c1ccc(F)cc1 587340607 YKAFXPCWQDFIIM-RBBKRZOGSA-N 524.155 6.082 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 587672615 GPVKVVWUXBLPJJ-SGANQWHYSA-N 523.328 7.110 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 587672727 HLZHOUNCGCTVAB-YBTHPKLGSA-N 514.620 6.069 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCl)(c1ccc(C3OCCO3)s1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679821 SXIRDTHHOMRWAR-MUUNZHRXSA-N 596.067 6.791 50 1 KKGF Cc1ccc2sc([C@@]3(CBr)N[C@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)Cc4ccccc43)c(C)c2c1 963666779 LMUDTZMACWRVIP-QRQMUESOSA-N 593.543 5.189 50 1 KKGF CCCCCCCCCCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772643287 LZMVCENJBDTSPS-QCWWGNAOSA-N 627.347 8.744 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCOCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 1857561153 MURXQKJPAHTLRI-IMYKHKJASA-N 958.979 6.593 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@]34C)[C@H](O)CC1=C1CCCC2(CCCC2)C1 2356374284 RQCHEVOPAHJRPM-YOQIILQMSA-N 807.220 9.265 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356374361 UOBZPJNIAIHBCP-CARPHTCGSA-N 639.968 7.775 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSCCCCCC[C@@H](O)C1 2356377828 MRSOXQWHADGTQT-WCYIZXNUSA-N 939.342 10.795 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSS[C@H]7C=Cc8c(ccnc8N7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356403322 GCZLSRBIXDVHDI-BHOOYJMPSA-N 832.101 9.718 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@@]21O 2356452876 GQUKCFKFISLYBC-ZOEPLOARSA-N 911.372 10.991 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3CCC(CC3)[C@@H](CC1)[C@H](O)C2 2356779893 YRIQEKMXMKGEQG-PDSVJLINSA-N 993.434 11.655 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)CCC=C(C)CN[C@@H](C)CCOC 2356780113 LMPNKBJHSNHPPL-HVFQSDOSSA-N 656.949 5.089 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356835635 KTQCMUKAFVVATP-XEKFUFDYSA-N 896.053 6.383 50 1 KKGF O=C(N/N=C/c1ccc(OCCNCc2ccc(Cl)c(Cl)c2)c2ccccc12)c1ccc(O)c(Cl)c1 27653147 VJCBDEIIZBFYBN-KPGMTVGESA-N 542.850 6.438 50 1 KKGF C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@@H](C)CCc1ccccc1 29466894 XADJRNJADYWMBT-UIOOFZCWSA-N 568.808 7.988 50 1 KKGF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)P(=O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 36269542 HAPDXTZSXLSDOY-FQLXRVMXSA-N 631.537 6.706 50 1 KKGF C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(CCCC6)OO5)cc4)cccc23)cc1)[C@@H]1COC2(CCCC2)OO1 49833144 PBZIKNUACYHOPI-UWXQCODUSA-N 648.752 9.685 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 58487090 LOXUGGFFDIDMLB-JFRCVCJRSA-N 508.699 7.000 50 1 KKGF CCCCC[C@@H](Br)[C@@H](Br)C[C@@H](Br)[C@@H](Br)CCCCCCCC(=O)O 105248013 HTORNZPNCYXGMR-LTIDMASMSA-N 600.068 7.826 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@H](CCc1ccccc1)CC#C[C@H]1/N=C(\N)N[C@@H](C(C)C)CSSC[C@@H]1[C@@H](C3)[C@H](O)O4)CC[C@@H](O)CC(=O)CC2 150348366 YHLDDUXULOWRDZ-AKAOLBEISA-N 867.147 5.707 50 1 KKGF biogenic,in-vitro CCN1CCN(C(C)(C)/C=C(/C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 207725929 CMCZKFPSGLRSEQ-TWBFQXCBSA-N 637.764 5.036 50 1 KKGF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586939091 YDSBNRKJOQWASS-AWEZNQCLSA-N 566.437 6.756 50 1 KKGF CCCCOc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br 587056721 QYEFFZLDNLYARB-WOJGMQOQSA-N 558.307 8.283 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc2c1 587082863 VYGZBZRPCVHQBP-UHFFFAOYSA-N 560.773 9.518 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335749 ORUPJPGZGMRLBQ-SSPYTLHUSA-N 503.295 5.163 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc(Cl)ccc2Cl)N1C(=O)c1ccc(Cl)cc1 963026822 WRVZGXNZSOEOID-ATIYNZHBSA-N 548.253 6.762 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 963161881 WPERRTKZAZDEQR-VCRWUWJOSA-N 746.790 8.906 50 1 KKGF CC1=CC(=O)C=CC1=C(O)CCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccn1 1857550474 OTSKQCGDVKFCBW-UHFFFAOYSA-O 608.827 9.734 50 1 KKGF COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc4sc(C(=O)NCC(C)(C)SSC)cc4c3)n1)N=C[C@@H]1Cc3ccccc3N1C2=O 1857586266 YDAOFQBPUHTSEY-SANMLTNESA-N 812.012 7.500 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@@H]2[C@@H](CC)N(CCCOC)CC[C@H]21)C4 2356351952 IZFSPIUPIXDUSY-FWIAPRMRSA-N 895.059 5.259 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@H]([C@@](C)(O)C1CCN(CCCOC)CC1)C4 2356373871 JPZLUIOKHVYOBW-UBPMNWIXSA-N 812.957 5.096 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356374275 ROGSHOOSHSNFDO-SURAXSDWSA-N 861.136 8.497 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@H]3O)CC[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356508993 XRUJBDXOZFJXHA-VLRMQBBCSA-N 875.074 9.491 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356745141 GWZSXWABUWZXBB-PKVOUFPLSA-N 703.021 6.587 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCCC[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356776077 DCYLWSXAPCXWNL-KYOWTBQKSA-N 922.260 6.624 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3CCC(CC3)[C@@H](CC1)[C@@H](O)C2 2356779894 YRIQEKMXMKGEQG-VGASMBRSSA-N 993.434 11.655 50 1 KKGF C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356830029 JDIMYUISUUVXTD-JNGRZPOKSA-N 599.983 6.386 50 1 KKGF CC1(C)CC[C@]2(C(=O)Nc3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145593 BLLUCPZVQMWQFI-INFDGNIISA-N 566.786 7.845 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 43381910 RJGALAVALLVPKP-LRLIURABSA-N 522.482 6.436 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 43641151 HVQCHMISIPQSDU-JYNBWZBZSA-N 557.873 6.064 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)O)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 58487092 SDIORNYPOYNSPZ-AAHPRULMSA-N 648.834 7.132 50 1 KKGF CNCc1cc(O)cc([C@@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSS[C@H]3CC[C@@H]2C[C@@H]3O)c1 85597334 AWRSQBYOOFLMHP-LOHJHWHJSA-N 718.938 6.971 50 1 KKGF biogenic,in-vitro COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)[C@H](C)Nc3c([N+](=O)[O-])cc(C(=O)NCCN(C)C)cc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC 95546526 KHWHDYUTJNRFFI-REWPJTCUSA-N 817.256 5.877 50 1 KKGF CNCc1cc(O)cc([C@@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@H](Cc2cnc[cH-]2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c1 150349812 LLVGNJAMDONIKN-SEMVIHKLSA-N 935.198 7.244 50 1 KKGF biogenic,in-vitro C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H](C)O1 586967576 BDDSEHVJSWPDHS-ZIAGYGMSSA-N 531.576 7.069 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2cccs2)(C(Br)Br)[C@H]1c1ccc(F)cc1 587375517 MRNGDWAHCXPONR-FXAWDEMLSA-N 512.194 5.963 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587381147 CGJVAJPELMZNBI-LOTJXDRWSA-N 626.165 6.427 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587542822 JMZVJJIYJYVBNO-MEJOHXEPSA-N 593.117 6.346 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1ccccc1 587689192 QUGGKMNCRZLCCT-LFPIHBKWSA-N 504.831 5.407 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CCCCl)(c2ccccc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 962567481 GXYQRSUDHPSEBN-LXANVCGNSA-N 587.503 7.258 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc(CBr)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670769 GLENSIRXXQOPMM-SANMLTNESA-N 627.295 6.955 50 1 KKGF COC1=COC(CCl)=C[C@@]12c1cc(OC)c(OC)cc1CCN2C(=O)c1ccc(C(F)(F)F)cc1 962674093 MRODHCYMMCJACB-XMMPIXPASA-N 509.908 5.257 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CCCCCl)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962708589 IIEMEHGAOXJJQP-UVNLRBHVSA-N 692.634 8.109 50 1 KKGF Cc1ccc(C)c([C@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)c1 962947763 KEINHVVBADSMJT-NNSIXKAWSA-N 612.904 5.554 50 1 KKGF Cc1sc2c(c1C)CCN[C@@]21C=C2[C@@](C)(CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)[C@]2(C)CC[C@@]3(C(=O)O)CCC(C)(C)C[C@@H]3[C@@H]12 963019658 IADZKSJISUQAPI-KXWYGTOGSA-N 628.923 8.441 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1cccc(OCC(F)(F)F)c1 963194692 OBBSOXZPKBAMDC-JWQCQUIFSA-N 515.373 6.389 50 1 KKGF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](Br)[C@@]4(N[C@H](C(=O)O)Cc5ccc(O)c(C)c54)[C@@]3(C)CC[C@@H]21 963549230 JEPAULPTEBSUEF-HEFPWFOFSA-N 568.508 5.350 50 1 KKGF O=C(/C=C/c1ccc(O)c(O)c1)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1772610846 AFENYCGRCQZXJL-UHFFFAOYSA-O 524.621 5.782 50 1 KKGF O=C(O)c1ccc(OCCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1857566551 KJIYQOZPPFQTMT-UHFFFAOYSA-O 611.783 9.145 50 1 KKGF COc1ccc(/C=C(\C#N)C(=O)OCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)cc1 1857584767 NICQMVIHPBCYSL-PYZHFFOYSA-N 679.854 8.315 50 1 KKGF CC(/C=C/C(=O)NO)=C\[C@@H](C)C(=O)c1ccc(C2([C@H]3CC(=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)SCCCS2)cc1 1857641615 OZQXCGAIIGNFTB-UIQOCQKQSA-N 605.895 6.490 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@@H]1CSS[C@@H]3CO 2356353108 IHEZPANFRBZWBC-GFHXQHPXSA-N 933.202 8.112 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@H](C)C(C)C)CC[C@@]4(O)C1=CC3=O 2356355834 HONPUKPBSXXFMA-ZASUFYGNSA-N 970.345 6.704 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356371655 NMBBGKGXVDLYGG-SBYAJHKBSA-N 785.123 7.016 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](OC(C)=O)O[C@H](OC(C)=O)[C@H]12 2356400169 RTYDIEHCGAISFJ-YMCOGGQTSA-N 692.978 9.298 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 2356456684 NFMQEQRMKVOUOH-QUURVCSFSA-N 903.173 7.280 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](C1CCCC1)[C@]52CC4=O)CCNC(=N)N3 2356481281 KJYMLMHGIXSSJO-OEWZIMQMSA-N 517.805 5.299 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1ccccc1 2356499063 QQQVNLHZIGNJSW-TUHAPBDHSA-N 597.891 5.350 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)C1(CC=C(C)C)CCCC1 2356524009 MVFYZWUUOBQWJM-NIEHIPDZSA-N 583.854 5.730 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC4CCCCC4)C3)c2)N1 2356699602 CGUMHYAOPAUYAJ-SCXXGHLMSA-N 811.124 7.728 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(CO)C[C@H]3CNC(=N)N[C@@H](C)O 2356711574 FSYNRQXLVGKIHZ-OZMRBZJISA-N 941.359 5.581 50 1 KKGF CC(C=O)=C[C@H](C)CC=C[C@@H]1[C@@H]2O[C@]2(C)[C@H](C)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@]12c1ccc[nH]1 2356718393 UXYUXCFJWUXAND-NLNBOBPVSA-N 511.666 5.242 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSSC[C@@]3(NC(=N)NCCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356756963 HOBOJICLDBWJRK-HNLXMBIFSA-N 811.036 6.172 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](CN2C=CNC2)SSC1 2356805907 AEGHNFCSANQAJG-VKGTZQKMSA-N 568.765 5.087 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@@H]1C)N43 2356809109 ANKSCTSXBDOTKQ-VRFVVUJZSA-N 693.972 7.011 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@H](C[C@@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)CC[C@]34C)[C@@H]2CN2C[C@H]3CC[C@@H](CCc4ccccc4)c4ccccc4CSSC[C@@H](C3)[C@@H]21 2356864575 VWRKIZHQIIQNMJ-VISXYOSFSA-N 730.137 8.976 50 1 KKGF O=C(c1ccccc1)c1ccc2[nH]c(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)N/N=C\C=C\c3ccccc3)nc2c1 5801025 DUOWFWGMDCQIOW-GKSPGJBZSA-N 608.312 8.504 50 1 KKGF CCCNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145579 CALNUZDNCPLIAJ-IQJWXSGESA-N 532.769 6.732 50 1 KKGF CCCCCCCCOC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145631 UIDXLKPLCURKOM-RESMUFLDSA-N 603.888 9.110 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(\C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C\C=C\C1=O)[S@@](=O)SC(=O)[C@]2(C)O 49639260 JFEMHRLBYMSHKB-WSVXDASGSA-N 749.074 8.409 50 1 KKGF COC(=O)NOc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 64453746 OMWLPMOXNYJRCQ-FQEVSTJZSA-N 608.054 6.687 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(OCO)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@H]3CO 150349701 KVJVLODWVYJXPA-RPVVIRQASA-N 1030.340 9.224 50 1 KKGF biogenic,in-vitro C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169313918 ZYLUBFUCBZLRNB-YJBJRHHQSA-N 583.297 10.518 50 1 KKGF Cc1cccc(Nc2cc(-c3ccccc3)nc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)c1 169352634 UYOKGTFXKQUEAA-UHFFFAOYSA-N 584.551 8.882 50 1 KKGF CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1)OC(=O)N(CCCl)CCCl 253633957 PHMVJSWULBLUSV-KFRLPJJVSA-N 835.139 14.872 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CCCCCC[C@@H]3C(=O)O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 254094454 WGVWKOGGAZAROY-OMFHHFIFSA-N 618.764 6.104 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@](O)(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)c3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299810175 LZFFIZKRGIXYGQ-LHIUOQPTSA-N 712.877 6.854 50 1 KKGF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587014715 PDCAZEIKVPSJRK-UHFFFAOYSA-N 530.769 8.735 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587056987 SVHYVBVKHDGUHN-STZFKDTASA-N 649.521 7.264 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c21 587190580 LYFXXSZMEXAKDL-HBRGMPQFSA-N 926.212 10.855 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587609443 VVEODGLSOHWYFZ-QIKUIUABSA-N 530.560 6.470 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](C)Br)N1 587670327 KCUIAMWWWCYOKE-PJYBLOJUSA-N 506.051 5.912 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)cc(Cl)c1 587689700 UZHFABVKKPYNGD-SPSFWMDKSA-N 530.696 7.319 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc2c1 587950719 UFXPQYDUVOOYNL-ZHACJKMWSA-N 517.317 8.946 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CCl)(CCc2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962471214 CJQWULUAPWHDCK-CYTLCNBWSA-N 553.058 6.409 50 1 KKGF Cc1cccc([C@@]2(CCCCCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 962573718 UAIPHOWGFHRWCG-NQVJXQQZSA-N 581.112 7.303 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cccc(OC(F)(F)F)c1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674795 IKDDVGPSHBLYHL-VWLOTQADSA-N 636.358 7.097 50 1 KKGF Cc1onc(-c2ccc(F)cc2)c1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963028654 XTVUOTJQAOPNHJ-NGQVCNFZSA-N 622.878 6.714 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(COc2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963069847 JEWLSIRWVWGGSR-PILPWRDFSA-N 784.596 8.312 50 1 KKGF CC(=O)O[C@H]([C@@H](O)[C@H]1c2ccccc2CCN1[C@@H](C#N)c1ccccc1)[C@H](OC(C)=O)[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 963209813 YALCIIIZZIDLRN-FQPCYWOQSA-N 720.939 5.012 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc(F)c(C)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775041 HZDONDLPBKAQKG-GDLZYMKVSA-N 565.439 5.539 50 1 KKGF N[P@](=O)(OCCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl 1772614286 PLUOKMHXJSTGCQ-DHUJRADRSA-N 564.813 6.188 50 1 KKGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@]12C(=O)N(Cc1cnnn1-c1ccc(Cl)cc1Cl)c1ccccc12 1772617170 YLKBNKVTXRAXIS-YTTGMZPUSA-N 632.471 5.172 50 1 KKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@]12C(=O)N(c1ccccc1)c1ccccc12 1857568050 IPPJAEXRMNKPRZ-JGCGQSQUSA-N 525.520 5.216 50 1 KKGF CC/C(=C(\c1ccccc1)c1ccc(NC(=O)CCCSSCCCC(=O)O)cc1)c1ccccc1 1857578994 JPFFIMHZQJLQBP-IKPAITLHSA-N 519.732 8.021 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@H]21 1857628286 YHFYZJXWWYSIRI-LHEWISCISA-N 689.728 8.199 50 1 KKGF COc1cc(NC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(Br)cc1 1857646931 MURZHDJENKLYNQ-UHFFFAOYSA-N 635.555 7.560 50 1 KKGF COc1ccc(/C=N/NC(=O)c2ccc3[nH]cc(C(c4ccc(C)cc4)c4c[nH]c5ccc(C(=O)N/N=C/c6ccc(OC)cc6O)cc45)c3c2)c(O)c1 1857746280 NDAZEBLEOPICGD-FTNJMUCTSA-N 720.786 7.094 50 1 KKGF COc1ccc(-c2cc3cc(CCCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc(OC)c3o2)cc1OC 1857751252 TYBCAJARVNBTTP-WEOXNUMKSA-N 608.728 7.283 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857764605 YALCCTAKVWYKFZ-RXKULCBVSA-N 930.094 6.935 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2 2356301895 ZYQOSEYXSANDRZ-HIRPPLPMSA-N 968.295 9.786 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)C1(CC=C(C)CNCC)CCCC1 2356351756 FNTNGYWKQSXXRR-JDSIKNBMSA-N 650.945 5.342 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](CCNC)Cc2cccc(c2)C1 2356354938 AVESQOFIRGERKA-GTNXELCDSA-N 718.036 5.132 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356368574 MNDPPNUNOUVVQQ-PCPXEOLKSA-N 964.396 8.971 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)OC[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 2356385628 SMBRCTKINONITE-WNKXGLPQSA-N 815.115 6.453 50 1 KKGF CNCC(CNC)Oc1cc2c(cc1O)CSSC[C@@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O 2356563620 KUMNHAHFQRFUCR-VUKKFVKJSA-N 638.808 5.275 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@H](O)C1 2356609436 AFQCFHZNGHTGNS-XACAJCMDSA-N 869.122 7.348 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CC[C@@H]5CC[C@@H]6[C@H]7CC[C@@H](C)[C@@H](NC(=N)NC)CSSC[C@H]6[C@@H](N)C[C@@H]7C5)o4)ccc3O)[nH]c2CC[C@@H]2CCC[C@H]21 2356634974 QTSPYUXZVBATAM-AFWMHIEWSA-N 992.451 7.560 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356775303 LBTXTJUMFVVZJA-MAGPKITHSA-N 845.175 5.741 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H]2C=C[C@@H](C[C@H](CC=C[C@H](O)[C@H](O)C3CCC(O)CC3)[C@@H](Cc3cccc(CO)c3)CSSCc3ccccc3C2)[C@H]1CCN 2356814495 CIIBUWGQRCLUAQ-DAEBCMCRSA-N 768.095 6.166 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OCC=C(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C(CC)=C1C=O 2356874434 YWCUTLCAOFDLEK-JRAFAXDDSA-N 855.133 11.493 50 1 KKGF COC(=O)c1[nH]c2c(O)cc(NC(=O)c3cc4cc(NC(=O)c5cc6ccccc6o5)ccc4[nH]3)c(CCCl)c2c1C(=O)OC 28348331 XNOQMULNDVCGKC-UHFFFAOYSA-N 629.025 5.960 50 1 KKGF CCOc1ccc(-c2cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 28642684 RCLPLKVCEYIXCZ-YKQZZPSBSA-N 520.549 5.467 50 1 KKGF COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)[C@@H](O)[C@@H](Br)c1cccc(c1)O2 49709889 JMCYYYSADNUJHJ-XZWHSSHBSA-N 547.445 7.557 50 1 KKGF COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](/C=N/NC(=O)c3ccccc3)CCc3ccccc3)oc12 49917668 GEBAXZVVTWYJAA-YXJCUOAPSA-N 568.674 5.119 50 1 KKGF N#C[C@H](NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)c1ccccc1 51092423 WWOMXROAPKVBFF-FQEVSTJZSA-N 609.300 7.574 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)C[C@@H]2C=C[C@]1(C3)OC(=O)[C@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSS2 85593850 VJHKKPSBIMZKRU-UHVIVCCGSA-O 803.943 5.867 50 1 KKGF biogenic,in-vitro C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 118922598 YQHVZAWAASWABR-ZULDAHANSA-N 537.505 5.338 50 1 KKGF CSCC[C@@H](CSSC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1)NC(=O)O[C@H](C)OC(=O)C(C)C 197915065 BUQFRBSADJYDAV-MVNQZMKCSA-N 650.885 5.479 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5[C@]1(O)OO[C@]41C(=O)OC)[C@@H](CCC(=O)OCC)[C@@H]3C 238782513 MQVGTEQYUBDOPM-RBKBTHCBSA-N 652.748 6.635 50 1 KKGF CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O[Si](C)(C)c3ccccc3)C[C@H]3OC[C@@]3(OC(C)=O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 253697524 BOEYZKMFZUXYFF-UGMGPQJSSA-N 988.172 5.872 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@H](C)CCC(=O)O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299818407 BQZGIZZCEBSBQH-NHQMALEWSA-N 870.484 5.539 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4ccc(OCc5cccc(Cl)c5)cc4O)sc3c2)CC1 299832277 UEYWDFIPCZGLRV-WCMJOSRZSA-N 564.111 6.622 50 1 KKGF O=S(=O)(NCCc1cccs1)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586944463 RNYZVWSGNOEWRJ-UHFFFAOYSA-N 588.443 7.232 50 1 KKGF O=C(N[C@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccccc1 587217770 FROIAZKPWDWUEG-GOSISDBHSA-N 532.332 7.502 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587320898 HNUNBLVOWNMFOK-IAPPQJPRSA-N 519.366 6.973 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329618 YRNPLMIZCQIRSG-OFSOJUDTSA-N 562.380 6.209 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2cccs2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 587375521 MRNGDWAHCXPONR-YLJYHZDGSA-N 512.194 5.963 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545994 UMGZXVJATCPNOU-WDDWZANVSA-N 548.850 6.545 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587689157 QFPRJUQUTRGDDY-YHAMSUFESA-N 519.886 6.274 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)/C(=C\C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 587789735 FPKAKRDFAAHLRS-RADKUVKRSA-N 617.566 7.735 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2scc(Br)c2Br)N1 587844084 LZNZRISXDWEHSC-NZFNHWASSA-N 532.498 6.191 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1cc2c3c(c1)cc(O)n3CCC2 961776178 KUNILNILXNCYJS-LJAQVGFWSA-N 508.062 5.927 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(c3ccccc3C(=O)c3c(NC(=O)[C@H](C)Cl)cccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678802 MYZSGXRUGJXUBO-WAUFSOIDSA-N 649.065 6.823 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962722175 XYJIJOYIDJRFGZ-BAOFOTJISA-N 796.496 8.404 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)c4[nH]c5ccccc5c4C[C@H](C(=O)O)N3C(=O)c3ccc(Cl)cc3)c2C)cc1 963010774 HJXDUYYFRJWFPH-HKFHRXRESA-N 616.545 7.262 50 1 KKGF COc1ccc([C@@]2(C(Br)Br)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963068652 GBFPNMRSPMQRDE-OCUJDILZSA-N 893.518 9.020 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(CBr)cc2)N1C(=O)c1ccccc1 963413482 IJDHMYORBVUCHO-HOFKKMOUSA-N 582.292 5.853 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCCCCCCl)(c2ccc(C)c(F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939604 YNSRLGNHHKMVBM-LZNOGKNRSA-N 716.385 7.704 50 1 KKGF CCOc1ccc(-n2nncc2CN2C(=O)[C@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1 1772590429 JHYWFLZXXOMMFD-LHEWISCISA-N 642.679 5.835 50 1 KKGF N#CC1=C(c2ccc3ccccc3c2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772612621 KQZJSFBORBDKNG-VWLOTQADSA-N 518.457 6.816 50 1 KKGF O=C(N[C@H](CCCCCSSCCCCC[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12)C(=O)Nc1cccc2cccnc12)OCc1ccccc1 1857594607 XQPDEMOFEZWKBH-NCRNUEESSA-N 873.114 10.452 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCc1cn(CCCOc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)nn1 1857629786 FADJKJHHDDWRAZ-RUZDIDTESA-N 599.178 6.504 50 1 KKGF COC(C)(C)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CBr)C[C@@H]1[C@@]3(C)CC[C@H](OC(=O)CBr)C(C)(C)[C@@H]3CC[C@]12C 1857652252 ABCUYHLYHYWXJF-TXYJNXEWSA-N 734.651 8.241 50 1 KKGF C[C@@]12CC[C@H]3[C@@H]4CCC[C@@](C)(C(=O)NNC(=O)CCCCC(=O)NNC(=O)[C@]5(C)CCC[C@]6(C)[C@@H]5CC[C@@]57CC(=O)[C@@](C)(CC[C@@H]65)C7)[C@H]4CC[C@]3(CC1=O)C2 1857772831 JPVFHXCPHMMUGX-CZNYWEBASA-N 761.061 7.196 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356359446 LESLKQIQIYAOLN-OZKIENBJSA-N 825.144 6.298 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 2356524099 QEWHVEXDBGVRDF-PRAUVBJMSA-N 977.388 10.619 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNC7=CC(=CCN7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356853401 RGGYDAUWSVZBDX-BFWCUJQBSA-N 732.025 7.284 50 1 KKGF COc1cc2c(cc1OCCCCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O 3991720 ZKJWSGPAWIGGIX-RTWAWAEBSA-N 576.093 6.183 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40394763 VAVMWACIIVWIPI-MNJHRLMISA-N 521.196 6.317 50 1 KKGF C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCCCC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 103295483 YDEQVXFHNGXNCM-GOUKAWNNSA-N 551.522 5.516 50 1 KKGF CC(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 149838328 BESYWHDYQFWATR-UMSHPIDHSA-N 525.588 5.104 50 1 KKGF O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2nc3cccnc3[nH]2)c(SSc2cc(Cl)c(C(=O)Nc3ccc(Cl)cc3)cc2S(=O)(=O)Nc2nc3cccnc3[nH]2)cc1Cl 150612266 AQKVAUVEIYEQLE-UHFFFAOYSA-N 986.754 9.748 50 1 KKGF Cc1ccccc1C(=O)NNC(=O)c1ccccc1Sc1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 167030144 WCBQXQJSJCFSQB-DTQAZKPQSA-N 505.603 5.663 50 1 KKGF C=CCO/N=C(/C[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3 169294099 WGDOECSYODBCCA-NOVLPKGMSA-N 631.807 6.436 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C/C=C(\C)CCCO[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299865611 NYVDLPJGHWBXKG-XYFVUVKNSA-N 631.710 10.489 50 1 KKGF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587159024 LCLCYOGFENRUCW-UHFFFAOYSA-N 533.295 8.128 50 1 KKGF O=C(CCl)NCc1ccc([C@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587325346 XQXSTQRIZKPCLI-IAPPQJPRSA-N 584.825 6.045 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1Cc1ccc(F)cc1 587333618 KVKSCEOAVSWPSY-PXJZQJOASA-N 507.964 6.630 50 1 KKGF COc1cccc(-c2cc(-c3ccc(NC(=O)CI)cc3)nc3c2oc2ccccc23)c1 587359733 GYWHZVNVJICVMN-UHFFFAOYSA-N 534.353 6.697 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)n2)cc1OC 587376803 QCCWTMUKTYEDNK-VFXRXZKFSA-N 565.022 6.316 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587551242 YYCJAZCVBOCKHE-SHQCIBLASA-N 562.371 7.568 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 587672214 FBIYAOBQMKOXQY-ZOKHEUASSA-N 583.424 7.095 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 587687055 FHLHYEITTXBHNA-DLUDVSRJSA-N 519.842 5.784 50 1 KKGF O=C(CI)Nc1ccc(C(=O)O)c(C2=C3C=C[C@]4(C=C3Oc3cc(O)ccc32)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc24)c1 962952545 HTULZHOONNUERX-UUWRZZSWSA-N 756.515 6.678 50 1 KKGF CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2OC(CO)=C[C@@]32c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963011602 HNPIBRYMPWRUQG-QQJQPJPWSA-N 677.157 6.092 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963083194 NXXKJGVTMHDFLJ-JPRJVELHSA-N 955.138 9.962 50 1 KKGF Cc1onc(-c2ccc(Cl)cc2Cl)c1[C@@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963107112 LXIMFQNQLGAOLH-FQEVSTJZSA-N 521.069 7.048 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(NC(=O)C(C)(C)C)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947642 OMUJLMRXRDPFDF-MKAVLMNISA-N 713.366 6.291 50 1 KKGF CC1=CC(=O)C=CC1=C(O)CCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857592123 LTXWZPCYTGODOT-UHFFFAOYSA-O 607.839 10.339 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1[C@]12OC(C)(C)[C@@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356341194 INMMJJDLRDZRDD-FSCJKDELSA-N 509.824 5.314 50 1 KKGF CCC[C@@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356369016 OQXLHAWXBPGHCG-LZVPHQIYSA-N 830.129 9.596 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)[C@@H]2C=CC[C@](C)(O)[C@@H]2O3)O1 2356428566 PUWVYRQJEAWNIC-REVUWRHRSA-N 595.648 5.431 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N 2356743869 IVMHGAXIAQTKEC-BTALNCSESA-N 881.307 6.639 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C1(CC=C(C)CNCC)CCCC1 2356748126 XBWXSIVPEMEOMI-AQORILLASA-N 626.923 5.320 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@]4(CC)CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@H]34 2356863629 URUKYVXFFWFCFK-ZSAGGYLQSA-N 699.895 5.712 50 1 KKGF Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C 27856867 JJQCYQOHEUISNH-GSOPHHNMSA-N 729.617 5.907 50 1 KKGF O=C(N/N=C/c1c(Cl)cccc1Cl)c1ccc(C(F)(F)F)nc1Nc1cccc(C(F)(F)F)c1 49761962 WGQLIYPOKPCGPV-WXMAUWIXSA-N 521.248 6.934 50 1 KKGF O=C(c1ccccc1)c1ccc2[nH]c(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)N/N=C/c3cccc(Oc4ccccc4)c3)nc2c1 82190546 URDPBUHNCGFICD-KZEIVMGFSA-N 674.371 9.631 50 1 KKGF CCCCCCNCOc1c2cc(c3c1OC[C@H]([C@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 85626479 XTLQEUWXSBOYRO-YQSBATRISA-N 781.098 6.191 50 1 KKGF biogenic,in-vitro O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1C[C@@H](Cl)c2c(Br)sc(Br)c21 89468952 MMFTXPRJSWYVPA-UKRRQHHQSA-N 565.734 5.071 50 1 KKGF CC(=O)N[C@@H](Cc1ccc(N[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95612827 ZPMFWKTYEZCACZ-KUXAXAEYSA-N 789.267 6.858 50 1 KKGF C[C@]12CCC[C@@](C)(C(=O)OC(=O)[C@]3(C)CCC[C@@]4(C)c5cc(O)ccc5CC[C@@H]34)[C@@H]1CCc1ccc(O)cc12 169296928 CXSWMXMKWWOTPK-WAACYZFNSA-N 530.705 6.888 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169354574 RWPJHYYGAGYJMG-BFHMQNOXSA-N 846.465 6.345 50 1 KKGF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)Nc2ccn([C@@H]3O[C@@H]4CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@@H]4[C@@H]3O)c(=O)n2)C(C)(C)CCC1 195347133 VSSBQLKQSWOHQV-WUUWYAMKSA-N 768.157 8.928 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)C[C@@H]1O[C@H](C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@@H]1[C@@H](O)O[C@H]2O 255207667 DTLZPCKDXBLCCL-LEXDUZMASA-N 622.931 8.546 50 1 KKGF CC1=CC(=O)O[C@@H]2C[C@@H](CC[C@H](C)C=CC=CCC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 299806225 ZBKZGKOPNVIOTD-AEVFZYLXSA-N 541.110 5.222 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@](O)(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c3ccc(C(=O)O)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 299810174 LZFFIZKRGIXYGQ-JQLDOGODSA-N 712.877 6.854 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccc(Cl)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 299829941 VXFKXGMEBXBHBS-QLQYKETESA-N 591.083 6.386 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Cl)CCl)[nH]c3cc21 587007368 CVYQTEKCLQNAMM-DEOSSOPVSA-N 579.528 7.342 50 1 KKGF Cc1onc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079036 FNANVEIESANZJC-UHFFFAOYSA-N 563.690 6.753 50 1 KKGF NNC(=O)c1ccc2nc(-c3cc(/C=C\c4ccc(OC(F)(F)F)cc4)nc4ccc(Br)cc34)[nH]c2c1 587124467 YBEACRUBRYCXCQ-BHQIHCQQSA-N 568.353 6.213 50 1 KKGF Cc1c(I)cnn1[C@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587182200 MWLDUYPIIWCEPJ-SSDOTTSWSA-N 557.124 6.702 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587328630 JSIAWFZFTMUKEM-IRLDBZIGSA-N 574.162 6.962 50 1 KKGF O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587501773 XQRLXQQTPXPSHJ-MHZLTWQESA-N 569.839 6.369 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 587673538 NWQGVANPHVAIBZ-JBEBIEQOSA-N 566.696 6.401 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(SC(F)(F)F)c2)N1 587719187 KOJDAROFGFRBCT-BTDLBPIBSA-N 513.192 6.373 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(Br)cc1CBr 587875261 QACAUEWTXVLPTF-UHFFFAOYSA-N 504.049 5.556 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cccc(-c4cccc(C(=O)O)n4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587938279 TVKPSCXVRBNJHG-HWLYHYNTSA-N 562.619 5.530 50 1 KKGF CC1(C)C([C@]2(c3cn(CCCCCCl)c4ccccc34)NC3(CC3)Cc3ccc(Br)cc32)C1(C)C 961613941 IZDFWNJIBRLWGW-HKBQPEDESA-N 554.016 8.417 50 1 KKGF COc1ccc([C@]2(C(Br)Br)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963068653 GBFPNMRSPMQRDE-QIRLOONUSA-N 893.518 9.020 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CBr)c1cc(F)cc(Br)c1F 963073919 OEEPRRLRNHWIBY-DYLHXGEVSA-N 644.307 5.845 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@]2(C=C(CCl)N(C)C=C2OCc2ccccc2)N1C(C)=O 963328144 COGUYYZUEJWACA-CRWZQZBNSA-N 817.317 5.812 50 1 KKGF COc1ccc(C2=C(C)Oc3cc(OCC(=O)NN)ccc3[C@]23NCCc2c3[nH]c3ccc(OCc4ccccc4)cc23)cc1 963818140 RFMMHBKRBVSUKP-BHVANESWSA-N 602.691 5.337 50 1 KKGF Cc1cccc2c1[C@@](C)(c1cc(OCc3ccccc3)cc(NC(=O)CCl)c1O)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863592 ZVOOVRQDFGBGAN-PVAZPRTOSA-N 609.119 6.357 50 1 KKGF O=C(O)c1cc(S(F)(F)(F)(F)F)cc(NS(=O)(=O)c2cc(Br)cc3cccnc23)c1O 1857568604 HTNUDGDQTGKVCW-UHFFFAOYSA-N 549.293 5.859 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356298453 DLAXYVHSVZVOSS-GZJZWMJUSA-N 901.253 7.936 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5C[C@H]6CC#CO[C@H]7[C@H]4C4=C(CCC[C@@H]4C[C@@H]37)[C@@H]5CC6)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356355895 WMJLOYHUGWGRJB-HDNKWXFNSA-N 940.330 7.554 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@H](O)[C@H](c1cc(OC3CCCCC3)c(O)c(OC)c1O)O2)C4 2356365839 SOXOJLAXRKJUGG-RDDCELSISA-N 694.912 8.618 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@@](C)(O)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C 2356368516 LPOOTXOHIQWMRZ-NYDDOVQGSA-N 512.731 5.504 50 1 KKGF CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]5O[Si](C)(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356416195 LCMFMYLKULZBHF-ATYFBPKNSA-N 865.591 13.286 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(CCC[C@@H]5CC(C)C)C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356470415 ZWYHMJGDPAWSGN-MWEDLQNQSA-N 781.043 6.256 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@H]1C2 2356482947 CDIOGMDSMNATON-SSWKZVCMSA-N 599.903 6.634 50 1 KKGF CC1(C)c2[nH]c(Br)nc2C=CN2C(=O)C[C@@H]3c4ccc(Br)cc4N[C@@]32C[C@@H]1Cl 2356492176 XRFAXSYCYALISO-UFAGZECESA-N 526.660 5.332 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@H]1C)N43 2356822528 FWOFVYGIUUKRMA-UAZLSYPQSA-N 639.880 5.841 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](C1(N3C=CNC3)CCCCC1)c1cc2cnc1N 2356847020 OSSQCFOSVAKXAT-WRDLHOLGSA-N 660.906 7.269 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802477 HMOVZYKCWLCOLL-PCSUFPALSA-N 543.394 6.962 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccoc1)C(=O)CCl 42765363 ZMCKAHOCNZBGEK-NOEGJUJESA-N 539.883 6.116 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Br)cc1 49709054 AHKIBIAGBFFTGN-SXOMAYOGSA-N 560.831 6.983 50 1 KKGF Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 71296639 UWCATRMYQSEPKR-JOCHJYFZSA-N 529.497 5.628 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@H]3[C@]4(C)CC[C@H]([C@H](C)CC/C=C(\C)C=O)[C@@]4(C)CC[C@]34C[C@]4(CCC(=O)NCCCC)[C@H]12 73160126 ONVBEKYLAHOXOC-FKBWSEEPSA-N 537.785 6.955 50 1 KKGF CN[C@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@H](CO)CCCO)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 85569345 RDNCMVJIUPPESB-CUBQBAPOSA-N 667.846 6.034 50 1 KKGF biogenic,in-vitro CCCC[C@H]1[C@@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(O)c(OC)c2)C2(CCCC2)SSC[C@H]1C1=C[CH+]N=C1 85624588 CNTUDXQBDQLJFC-KAHNYGAISA-O 558.786 7.068 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCCC1)O[C@H](O)[C@@H]([C@@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 85626390 SEBSEOICOUMMTK-ZHNDZCMJSA-N 795.081 5.262 50 1 KKGF biogenic,in-vitro FC(F)(F)c1cc(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)cc(C(F)(F)F)c1 96272490 CMBWCUKJTFCGST-SFHVURJKSA-N 578.742 7.219 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(C)cc1)C(=O)Nc1ccc(C)cc1-2 101042159 KUDUXXFXZCETDE-RSKBYLLGSA-N 521.281 7.178 50 1 KKGF CC1(C[C@@H]2CC[C@]34CSSCc5cc6c(cc5C(N)N)C#CCc5ncc[c-]5C(=O)C[C@@H]6c5cc(ccc5O)CCOc5cc(ccc5O)CCC(=O)/C=C/[C@]2(C[C@H]3O)C4)CCCC1 150349135 WSGUPFIUWMCXCZ-BQYCDCJUSA-N 899.212 9.523 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COP(=O)(Oc3ccccc3)Oc3ccccc3)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169355001 OOPQGVUXVFNNDO-SIQDRCAUSA-N 838.972 10.167 50 1 KKGF N[C@@H](CCCN=C(NC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587259526 JMZBAVOYJIXWQP-QFIPXVFZSA-N 640.635 7.209 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322883 PKXBMUOHTQOLAL-PXJZQJOASA-N 615.282 7.474 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCC1=CCCCC1 587328041 SMUMSPPVRBPFOH-DGPALRBDSA-N 508.033 7.333 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccc(C)cc1)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O 587451773 KMQASQBSDBWLQD-MMTVBGGISA-N 508.039 5.812 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 587683604 UYNIHJCGMTZFEZ-ZAMGYDSWSA-N 540.702 6.775 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587715314 HJLPIDOVOYDSBA-CWRPELGWSA-N 681.058 6.865 50 1 KKGF CCCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)O[C@@H]3CCC[C@@]4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)CCCCC2)nn1 621431732 BUCCEQIRSSECMF-XYAMWHBJSA-N 762.842 8.259 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955758 LVIANGUCWCWFST-NSJVFKKDSA-N 574.046 7.163 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)c4[nH]c5ccccc5c4C[C@@H](C(=O)O)N3C(=O)c3ccc(Cl)cc3)c2C)cc1 963010767 HJXDUYYFRJWFPH-BFGHFXMOSA-N 616.545 7.262 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2C(C(Br)Br)(C(Br)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963033389 GRJKORABGVHSDI-HXUWFJFHSA-N 779.064 7.652 50 1 KKGF CC(C)(CCl)C(=O)Nc1cccc([C@]2(C)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963043946 VLHYQWFJTXHPCC-WECIHKQLSA-N 659.129 7.692 50 1 KKGF Cc1ccc(C(=O)[C@@H](Cl)[C@]2(c3ccc(C)c(C)c3)c3cccc(Br)c3CCN2C)cc1C 963282823 YGDNSGABKDAWTR-IZLXSDGUSA-N 510.903 6.905 50 1 KKGF COc1ccc([C@@]2(CBr)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)c(OC)c1 963915147 LVKGMDAJHVRAHY-SANMLTNESA-N 572.891 5.485 50 1 KKGF COc1ccc(C(=O)c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3o2)cc1 1857759428 QTKZFQBVLQJUAO-AREMUKBSSA-N 524.617 6.421 50 1 KKGF CCC[C@@H]1[C@H]2CC[C@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356363955 ROHRQEVSRZLHDH-UZVZWVJPSA-N 872.166 8.957 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)CC1 2356370011 LAPDGCGEEVPYAY-MDDYZBTFSA-N 829.101 8.112 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@H]([C@@H](C)[C@@H]2CC[C@H]3[C@@H]4C[C@@H]5O[C@@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1 2356498344 RZWFBNOFUAHADD-XFNMHVHCSA-N 582.854 6.591 50 1 KKGF COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@@H]6C[C@@H]7OC[C@]8(C[C@H](OC)[C@@H](O[C@@H]9C[C@H](OC)[C@@H](O)[C@@H](C)O9)[C@H](C)O8)OO[C@H]7[C@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O 2356509420 OKQKFNTWEWCEEK-GLKGSHBMSA-N 921.131 5.581 50 1 KKGF CCCCC1=C(Br)[C@]2(OC1=O)[C@H](Br)[C@H](Br)[C@]21OC(=O)C([C@H](CCC)OC(C)=O)=C1Br 2356605544 KJJZJKARRMQVGU-AIJGXYLVSA-N 678.006 5.338 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356713564 MIYUFHDXGRVYCA-GZHQDTDVSA-N 924.328 6.381 50 1 KKGF CN[C@H](Cc1ccc(O)cc1)O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356767400 AEOMGZSKJYCRDS-DODOAAEWSA-N 647.859 7.763 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(C[C@@]53CCC[C@@H]3O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356769263 ZXWWYIQDBFVEBW-FLZHWEANSA-N 994.323 5.205 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356771269 UAOCZJLEILVBDS-JWMPHXNSSA-N 719.020 5.905 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356777611 ZYZGTQBQNISGID-YBRJQAKGSA-N 817.165 6.828 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]3CC=C[C@@H](C3)SS2)c1O 2356780433 WKHGSAFUJWVRFZ-ZPASYMGGSA-N 793.013 7.925 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NC3)N[C@H]3CC5=C[C@@H]2[C@]41[C@@H]1C=C[C@@]2(CO)O[C@@H](Oc4cccc5c4C(=O)[C@@]4(CSS3)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]4C5=O)[C@H](O)[C@@]1(O)[C@@H]2O 2356827800 IPRRIIKMYQHYEK-FREWVUEPSA-N 959.152 5.058 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SS[C@H]3C=CC4=C(NCC=C4C2)N3)CCCC1 2356841352 NHNCZNJQLKXWRZ-ULECDHNTSA-N 672.913 7.224 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](O)CCCC1 2356844793 NZIFUCFUWBLRMN-KMTISVKISA-N 750.040 5.382 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](CN1C=CNC1)c1cc2cnc1N 2356862540 VBWQLHSZEYHVCH-OHJTWJCTSA-N 592.787 5.566 50 1 KKGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873586 TZMLNHHPJAHFJW-JWQCQUIFSA-N 657.377 6.129 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4cc(OC)ccc4o3)ccc2[nH]1 29240726 LYKBMFHMQFGYHE-MRXNPFEDSA-N 681.023 7.150 50 1 KKGF CCOP(=O)(/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@@](=O)(F)OCC)cc(OC)c2O)c1)OCC 42889261 OQJUWUSWPVUFKJ-HMLUPRKJSA-N 544.449 7.189 50 1 KKGF O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCN(Cc2cccc(Oc3cc(Cl)cc(Cl)c3)c2)CC1 49762676 SKBPJYZOLUWFRB-UHFFFAOYSA-N 502.354 6.011 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)Nc3ccc4c(c3)[C@H]3CN(C(=O)C5CCCCC5)CC(=O)N3CC4)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 82155186 BUWWZYCBIYIKIG-ATUSVJTJSA-N 635.802 5.114 50 1 KKGF CCCCC[C@@]12Cc3ccc(O)c(c3)O[C@@H]3CCC[C@](NC(=N)NC)(CSS[C@@H]1CC[C@H]1[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]12)C3 85597196 WVEUDLTVALHUTE-LQXINGMFSA-N 849.129 8.369 50 1 KKGF biogenic,in-vitro COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1ccc(I)s1)C(=O)OC)NCCC(=O)c1ccc(I)s1 95546938 SSOGQCMXDAJCQI-HOTGVXAUSA-N 824.588 5.289 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)[C@H](c1cc2cc(NC(=O)c4cc5c(OC)c(OC)c(OC)cc5cn4)ccc2[nH]1)N3C=O 95613730 GJXKLQXPMARFAM-WWOZWPLTSA-N 752.102 7.027 50 1 KKGF COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 150593299 RLEYILMQLZCCLF-UYMCRQDJSA-N 691.913 7.588 50 1 KKGF CC(C)[Si](Oc1cc2c3c(ccc2c(O)c1[C@@H](C)CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC3)(C(C)C)C(C)C 195503038 FGEODQNFRVPTEH-VWLOTQADSA-N 571.007 10.839 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C#N)cc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189913 GEFGJINDMUBAKJ-YTDHDMEXSA-N 621.222 7.120 50 1 KKGF COc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2n1 587191163 QAOQRFBPXAINPC-GZZRBLOISA-N 592.781 5.998 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322436 HAPYCXUCUVWXQR-KZMKWDEUSA-N 576.407 6.598 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322585 NIXNMJAVQKHPJK-XMJKUIDKSA-N 510.359 5.766 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)(c1ccc(CNC(=O)CCl)o1)CC2=O 587458322 RUJDNMHTQLEMOK-VWLOTQADSA-N 532.818 5.464 50 1 KKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587534227 XQFLQEINEBPNFP-SSEXGKCCSA-N 569.123 5.093 50 1 KKGF O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587548710 VGMUYGBANLPYMR-RPLLCQBOSA-N 568.807 5.508 50 1 KKGF COc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)cc(Cl)c(C)c1[N+](=O)[O-] 587672965 JGIKZVOLTIFZNM-AYLIAGHASA-N 536.623 5.640 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)(C)C)cc1 587685763 AZCASCQUWRXHKB-RKOGDMNLSA-N 517.914 7.310 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2I)N1 587737694 GLVHTQYFBOSMIV-XLFHBGCDSA-N 617.920 6.128 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(CC(=O)N4CCN(c5ccc(F)cc5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653761885 CXTCGPXOBYFGSC-GOPVQMOLSA-N 580.697 5.304 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CCl)c1ccc2c(c1CCN5C(=O)OC(C)(C)C)NCCC2 961776255 LIASJVQWRWMVQH-NYMVSKTPSA-N 669.278 6.620 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@H]([C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C1)N2C(=O)OC(C)(C)C 962711941 RAQDMASGIHVKBM-JHQNAJCXSA-N 787.058 8.110 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1C(=O)c1ccc(Cl)cc1 963027574 SXRDMZNTQFIBFQ-GVYVVWIYSA-N 668.931 6.412 50 1 KKGF CC[C@H](Cl)CCn1cc([C@]2(C3C(C)(C)C3(C)C)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c2ccccc21 963796195 NYVWYSDUQRYWCS-VFPURHALSA-N 680.289 8.741 50 1 KKGF C[C@H]1[C@@H]2CC[C@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)c1cccc(SCc2ccccc2)c1)[C@@H](C)[C@H](OC(=O)c1cccc(SCc2ccccc2)c1)O[C@@H]4O3 1772634295 KASDOACTYBPZSC-VSYGUFDKSA-N 752.951 9.472 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(C(=S)SCc4ccc5ccccc5c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857539224 BQDFPDPJFNSHLB-VEZNWBOKSA-N 568.805 6.184 50 1 KKGF COC(=O)CS[C@H]1C=C2[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)/C=C(\C#N)c5ccc(F)cc5)C[C@H]4[C@]3(C)CC[C@@]2(C)c2cc(OC(C)=O)c(OC(C)=O)c(C)c21 1857559869 DGLNDZZGNTVJOI-HWQMWGGOSA-N 872.065 9.626 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccc(C#N)cc2)nn1 1857629226 AAPKIVXKYMDKKG-JOZASHKGSA-N 542.680 5.780 50 1 KKGF CC(=O)OC[C@@]1(C)[C@@H](OC(C)=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@H]3[C@](C(=O)OCC(=O)N/N=C/c4ccccc4)(CC[C@@H](C)[C@@]3(C)O)CC[C@]21C 1857648227 DDFKHAJJIQXKJZ-JWEKDMNUSA-N 746.942 6.106 50 1 KKGF Cc1cn([C@@H]2C[C@H](C3(c4ccc(NC(=O)CCCCCC(=O)NO)cc4)SCCCS3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 1857770259 WNFFFEKXYPWSOF-HFASVGIHSA-N 707.004 6.300 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5ccc5cccc(c65)[C@@H](SSCCC[C@H]3O)[C@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356291710 BWSXWTIAMOWIFE-KMDUQJMISA-N 908.198 10.528 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356359447 LESLKQIQIYAOLN-PIBFDUHWSA-N 825.144 6.298 50 1 KKGF CC=C1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccc([C@H]2C[C@H]3C(=CC)CN(C)[C@@H](Cc5c2[nH]c2ccccc52)[C@H]3C(=O)OC)cc14 2356592687 GVJFCBIQWCVYNY-TXIOFUKGSA-N 628.817 6.082 50 1 KKGF C=C(C=CC=C([C@@H]1C=C2CCC[C@H](C)[C@@H]2[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356685947 MFGBIISZLPLNBL-SORDWUMCSA-N 909.262 7.377 50 1 KKGF CC(C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@](C)(C=CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@]3(C)O)O2)O1 2356816201 CYZRICPAQMIASO-AMTKCTNUSA-N 587.636 5.989 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145547 STVJJFJZOABFKS-VOJJZETKSA-N 580.813 7.522 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 58631242 BOJSLVWQTMISMS-YWQNKFDESA-N 603.841 7.396 50 1 KKGF O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N/N=C\c1ccc(OCc2csc(-c3ccccc3)n2)cc1 66080492 QAQWTUFYXFFIJR-UHIZKJEFSA-N 578.641 7.224 50 1 KKGF CNCc1cc(O)cc([C@@H](NCCCCO)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 85597357 UMDASOIAISPYIL-DKFWVONXSA-N 734.981 7.755 50 1 KKGF biogenic,in-vitro O=C(CCC(=O)Nc1ccccc1C(F)(F)F)N/N=C1C(=N\NC(=O)CCC(=O)Nc2ccccc2C(F)(F)F)\[C@@H](c2ccc3c(c2)OCO3)Oc2ccccc2\1 95549385 BAZWYQPBNWINRE-LVAONDGNSA-N 796.681 6.717 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 150348658 XAAJSOHTYDHHLY-CIRJEFDZSA-N 929.307 8.989 50 1 KKGF biogenic,in-vitro CN(C)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3F)cc2F)c2c(N)ncnc21 224190643 ANEDRESITAZMQR-YWXUCKCNSA-N 604.637 5.066 50 1 KKGF CCCCCC[C@H](Cl)C[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928818 OWZXJAFOLNMCCO-XSDIEEQYSA-N 674.961 7.861 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]2(C)[C@]1(OC(=O)c1cccs1)C(=O)CCl 253693047 UVSRXUYQBDAGKD-CCVUQYLESA-N 555.951 6.584 50 1 KKGF CCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 254058094 ZHVQBIHGGSQOSC-CYGLIWPXSA-N 590.710 5.324 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@H]([C@@](C)(O)c5ccncc5Cl)CC[C@@H]4[C@@H]3CC[C@@H]2C1 261089296 DEPMEDSXCRDCRX-LLWSQTOISA-N 532.285 8.602 50 1 KKGF c1ccc([P+](CCCN2c3ccccc3Sc3ccccc32)(c2ccccc2)c2ccccc2)cc1 299819727 FFTJGVSNENIAHR-UHFFFAOYSA-N 502.643 7.674 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@@H]1C)OO2 299847911 YJMSUCOCLCDMIR-MNHHOBHWSA-N 675.904 7.184 50 1 KKGF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1C=O 586968214 PKHFZLPBJBOESL-UHFFFAOYSA-N 522.952 7.532 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc([C@H](N)N=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191737 WQNJGMJJHRVDTM-HNGLSUALSA-N 619.807 6.319 50 1 KKGF COc1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC 587239811 XWEGLLMQQBSRHJ-UHFFFAOYSA-N 696.492 10.028 50 1 KKGF CC(C)(C)OC(=O)N1CCC([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CC1 587319689 COZGWVNQAYSHGQ-NVQXNPDNSA-N 534.422 5.671 50 1 KKGF COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] 587322748 OGUPIQICCZBFTA-GGAORHGYSA-N 502.292 5.097 50 1 KKGF O=C(Cl)c1ccccc1[C@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587324479 QWJNQJABFKVCOE-FJQKOURKSA-N 548.997 7.880 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3ccccn3)s2)[C@H]1c1ccc(F)cc1 587378513 VYCPHVQSLKHKSO-ZCYQVOJMSA-N 510.384 6.304 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1cc(Br)c(N)c(Br)c1)CC2=O 587456352 NQVNRFISOKLDQI-IBGZPJMESA-N 548.069 5.708 50 1 KKGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587537576 IDCJGSUWBAOFIK-KNQAVFIVSA-N 520.173 5.415 50 1 KKGF CCOC(=O)/C(=C(\C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587686330 CQUKNFAZPJFSQY-PXWRJENWSA-N 525.846 5.514 50 1 KKGF COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)O[C@@H]2CCC[C@]4(C2)OCC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 621476366 HPLFYRRXWYSKLS-VLRRMULXSA-N 697.272 8.660 50 1 KKGF FC(F)(F)c1cccc2c1[C@H](c1ccc(OCCBr)c(Cl)c1)NCC21CCOCC1 962962427 VPQQKGXURZXGFU-FQEVSTJZSA-N 504.774 5.873 50 1 KKGF Cc1ccccc1[C@]1(CCCCCCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963021827 ROHRGJBBLLLERF-JTSJOTPCSA-N 549.498 7.324 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@]1(C)c2ccc(F)cc2C[C@@H]2CCCN21 963098106 PCZAVSWDNRRXFF-NSOGCQCCSA-N 685.975 7.736 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccccc2OC)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 963163987 SODCDYPMFXCWAF-JJXMVLQZSA-N 783.394 8.385 50 1 KKGF C[C@]1(c2ccc(CCBr)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963417034 POUHMMZAMGGNTE-CUBQBAPOSA-N 517.423 5.521 50 1 KKGF CC1=C([C@]2(CCl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 963578660 GZJSNGQHWBFXNE-NQVBIECCSA-N 762.244 8.089 50 1 KKGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c1C 963796335 OIILJMFCQCVABQ-HKBQPEDESA-N 578.065 5.057 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(c3ccc(Cl)cc3)[C@@H](Br)CC(=O)O)nc(Cl)nc21 963913806 DPQHNAMGFHUOIF-FNZWTVRRSA-N 605.320 5.964 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(/C=C/C(=O)c4ccc(Cl)cc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772592391 PAZPYAVXSXQICI-SDLYPYFQSA-N 569.094 6.840 50 1 KKGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@@]12C(=O)N(Cc1cnnn1-c1cc(Cl)ccc1Cl)c1ccccc12 1772601338 QJQWVLYKTOOOOA-YTTGMZPUSA-N 632.471 5.172 50 1 KKGF CCCCCCCCCCCCCCCCCCSC(=S)N1CCN([C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)CC1 1857608719 WPVVWGONLQKQIH-JAMXWWDDSA-N 681.106 10.092 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(OCO)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@@H]1CSS[C@@H]3CO 2356292360 PXLYPPVDZHHBNF-QTAVCNCTSA-N 963.228 7.735 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@](O)(CO)C[C@@]35C 2356351457 XXDIHKOAZOQJKK-PLYJADOPSA-N 938.259 5.106 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c1O 2356368570 MMRDPMGFIUVCRP-LELFMQMDSA-N 724.938 7.981 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2)C[C@@H](C)O 2356406802 HLPQTBYALSDBMP-RHSFNASTSA-N 918.279 10.763 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@](O)(CO)C[C@@]35C 2356594143 KCGPPBJFQSOPTL-XCFKOYNYSA-N 908.233 5.746 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](C6(c7ccccc7)CCCCC6)CC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356618512 WWRBRFBOLPCQMI-DERSNFSNSA-N 991.454 12.390 50 1 KKGF CC[C@H](O)[C@@H](CCCO)Oc1cc(O)cc2oc(-c3cc(CC(C)C)c(O)c4c3CSSC[C@@H](NC)c3cccc(c3)C4)c(O)c(=O)c12 2356671710 IQNWLTVCUCVSKE-DYIKCSJPSA-N 695.900 6.812 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N 2356743871 IVMHGAXIAQTKEC-JNNXSNIGSA-N 881.307 6.639 50 1 KKGF C#CCCC#CC=CC#CC[C@@H](Br)[C@@H](Cl)CC(Br)=CC=CCC(=O)NCCCCCNC(=N)N 2356795201 LSBQCRQOSCCPPW-RPWUZVMVSA-N 612.838 5.109 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c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c1ccccc1OCCP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 3099856 PNFJMQIFTJXBOF-UHFFFAOYSA-N 566.574 6.472 50 1 KKGF biogenic CCOC(=O)/C(C#N)=C/c1ccc2c(-c3c(OCC)ccc4cc(/C=C(\C#N)C(=O)OCC)ccc34)c(OCC)ccc2c1 5924061 IQMVHKXLWWCKLA-MKYUKRCKSA-N 588.660 7.398 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)C(C)(C)C 28656251 CENMSNFMZUNZCJ-BQTTVMSQSA-N 573.111 9.225 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O 43482130 SCGKCIFKZFNKSL-NLCINRIZSA-N 605.212 6.791 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(F)cc1)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Cl 84706059 RQNXEIDCVKQRDJ-HSZRJFAPSA-N 522.411 6.444 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O)CC(=O)CC2 85597415 IILHZJLJWXNZGJ-TZIWHRDSSA-N 514.665 5.215 50 1 KKGF biogenic,in-vitro C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(C(F)(F)F)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 96933840 VFHSHDLCHICQOL-HURDLCFYSA-N 538.610 7.110 50 1 KKGF COc1ccc([C@@H]2O[C@]34C[C@@H](c5ccc(Cl)cc5)N(C(=O)OC(C)(C)C)C(=O)C3=C[C@@]2(C)OO4)cc1 96934111 WIJCDIIWFBZSNY-ABMRFVCESA-N 513.974 5.672 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C(=O)O[C@@H]1[C@H]3[C@H]1C=C[C@@H]4CC1 150345636 HAXOHYCMMYYSCQ-MJZDCBJUSA-O 844.008 6.676 50 1 KKGF biogenic,in-vitro COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCCCCCCC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1 150589030 UHNVGAFKDBVESH-GHQFIWSESA-N 906.083 5.563 50 1 KKGF COc1cc([C@@H]2c3cc4c(cc3[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3COC(=O)[C@]23F)OCO4)cc(OC)c1OC 194958567 YPILDQIQGKEZQT-JFRXHZBCSA-N 546.664 5.531 50 1 KKGF CN1CCN(C(=O)COc2ccc(/C=C3\C[C@H]4[C@@H]5CC=C6C[C@@H](Cl)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=O)cc2)CC1 199612953 AFPXSJKULFZBQM-QWBHPZLJSA-N 551.171 5.972 50 1 KKGF Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1O[C@@H](C)OC2 206821523 NWHSMCPLOOMAKI-QNGWXLTQSA-N 715.814 8.633 50 1 KKGF C=C(COC(=O)[C@](C)(O)C[C@@H]1CC[C@@H](O)[C@]2(C=C(C)C[C@@H]([C@H](C)/C=C/[C@H]3CC[C@@]4(CC[C@H]5O[C@H]([C@@H](O)C[C@H](C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C)C(=C)[C@@H](O)[C@@H]5O4)O3)O2)O1)CC(=C)[C@H](CCO)OO 255231065 LZSACGSEJDYUGC-GTKHNMMUSA-N 975.223 6.415 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299818533 SBWFAIGFKMBQFX-MDMLYADZSA-N 798.421 5.306 50 1 KKGF CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3cc(OC)c(OC)c(OC)c3)c(=O)oc12 299836516 NNUYWCYIURXCBY-HPGBDJQBSA-N 584.669 6.450 50 1 KKGF O=S(=O)(c1ccccc1)N1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@H]2CCCC[C@H]21 586962344 WNSCPNMKZIEKQT-XMCHAPAWSA-N 507.550 6.915 50 1 KKGF Cc1csc([C@@](O)(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(F)(F)F)n1 587095268 ZTSZBLOEZGMXEK-ZDUSSCGKSA-N 532.276 6.740 50 1 KKGF Cn1nc(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130301 HIKSEKFBCOXEDN-UHFFFAOYSA-N 517.430 7.437 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)[C@H]1c1ccc(F)cc1 587330177 FXQOMLJGPGTXGM-FPTDNZKUSA-N 517.219 5.876 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)C1 587340872 WBUCMYFWSYTXNT-NGTYOXJTSA-N 684.586 7.939 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)[C@@H](C2)C3=O 587423451 JTZNXPGSRVKFJH-YYSFKGJASA-N 524.995 5.900 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)CC(=O)c3ccc(O)c(CCC)c3O2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587465258 GBBIGPJBXRDXQK-FFPLQKMTSA-N 655.203 7.195 50 1 KKGF O=C1C[C@@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)Oc2c1ccc1c2CCCC1 587499718 ONCMDPDWRYABMC-MUUNZHRXSA-N 516.391 5.622 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 587543141 JGEHJSAGBQCTMP-POURPWNDSA-N 502.010 7.019 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 587687004 YKLOQAXUXKOKDX-ZNZBMKLDSA-N 528.293 6.138 50 1 KKGF COc1cccc(C(=O)[C@H](Cl)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587688654 MUTRCMZFUHOOMS-BXUPLMHSSA-N 532.837 5.874 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@H](c2cc(Cl)ccc2B(O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079702 PJOUDTWOWJIICV-LQFQNGICSA-N 739.910 6.066 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2ccc(N3CCOCC3)cc2)(C(Br)Br)N1 963193627 KKBQGOUGCASGSZ-WIYYLYMNSA-N 612.668 5.154 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cnc3ccccc3n2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 1857561115 CKPJCFKFLBFNMI-KYASRJHESA-N 625.549 5.790 50 1 KKGF CC[n+]1cccc2cc(/C=N/NC(=O)c3ccc4ccc5ccc(C(=O)N/N=C/c6ccc7c(ccc[n+]7CC)c6)nc5c4n3)ccc21 1857590226 KBNVCXATNICSTB-DBMXBCQFSA-P 632.728 5.232 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356292368 QEOACWIESFHLCB-GSNHQAJNSA-N 795.085 6.158 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](OCNC1CCCC1)CC(=O)CC2 2356349480 GJJPOOWZUMOTFS-MHZLTWQESA-N 595.827 7.759 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C1)[C@@H]2CCC(C)C 2356349719 MLBULSUSYUHRNW-KYJPNVSHSA-N 761.108 7.462 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](OCNCCCCO)CC(=O)CC2 2356389792 HOCYRXZLDCGFAN-CLJLJLNGSA-N 615.814 5.559 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@H](Cl)[C@@]2(C)CC[C@@H](O2)[C@@](C)(O)C[C@H]1O 2356411395 OAZCZMDHKJUCJE-AKMPQPEVSA-N 719.400 7.492 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@@H](CO)CC3)CC(=O)CC2 2356456683 NFMQEQRMKVOUOH-NEDMNSLUSA-N 903.173 7.280 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)[C@H]1C=C2C(C)(C)CCC[C@]2(C)OO1 2356652907 UUDZWPOVNSESPO-PGSXYRMZSA-N 568.886 11.749 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@H](C2CCCCC2)Cc2cccc(c2)C1 2356779173 NMOYBIPBMJFVHK-AEQPSVFVSA-N 767.108 7.125 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(CCCO)C(=O)O[C@@H]1C3 2356835990 KVZFKQRXEYLFNC-OJVKOOGPSA-N 824.982 5.360 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356847861 PACIRBUXMITRHL-HOHBAURBSA-N 931.323 8.711 50 1 KKGF CC(=O)N[C@H](Cc1c(SSc2[nH]c3ccccc3c2C[C@@H](NC(C)=O)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 27657640 MTTNYIXYAZMASA-LQFQNGICSA-N 732.932 6.176 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CCCCC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(N)=O)[C@@]12C 43587188 AVJFNLLGYNTHSD-YSSIKYIBSA-N 561.760 6.355 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C(C)=O)ccc43)[nH]c2c(OC)c1OC 49695119 XTARRYIOOJBKAR-MRXNPFEDSA-N 537.956 5.441 50 1 KKGF COC(=O)CC[C@H](O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 58622090 SFXFJEZXIQVKPD-OZTOYSSASA-N 539.463 5.668 50 1 KKGF C[C@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O 95541368 PXEFELGJKKNAPC-IULTZZOBSA-N 774.223 10.439 50 1 KKGF O=C(/C=C(\N=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1 95551376 AIEKKBVEIGGSNX-MEFGMAGPSA-N 775.492 10.305 50 1 KKGF COc1ccc2c(C)c(-c3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@@H](c4ccccc4)C5)cc3)c(=O)oc2c1 95563040 VVZVCAGQWSYPTP-RCRUUEGKSA-N 530.580 5.986 50 1 KKGF COc1ccc(OC)c(CCNNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)c1 95612440 QJXWGLAJCNSULF-UHFFFAOYSA-N 767.832 6.203 50 1 KKGF N#Cc1c(-c2ccc(Cl)cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 96933480 HOPJNTAXNFGXMX-RPBOFIJWSA-N 510.384 6.512 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccccc2Br)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293586 RJPYGWCFUWFJJA-UHFFFAOYSA-N 555.538 7.569 50 1 KKGF COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(/C=O)CC/C=C(\C)CC/C=C(/C)C3)cc3c(c12)OCO3 111960811 CNCKKGCRDGSHDH-MJAZUXBNSA-N 557.599 7.146 50 1 KKGF C=C(/C=C/C=C(/COC(C)=O)[C@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)CCC=C(C)C 238783222 PCXCPWDHJKSSOL-JCFGFFBXSA-N 528.730 5.541 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(Br)c(F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056883 SINXCHVSUYBVGX-VGOFMYFVSA-N 504.190 7.243 50 1 KKGF Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)[C@@H]1CC=C[C@@H]21 587276343 KTBDGGDZIVUPEY-VFVRVIDISA-N 551.335 8.026 50 1 KKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334758 YHLKRHDPTNRPKZ-BVAGGSTKSA-N 545.579 7.266 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)CC2=O 587457066 VIWXMNRRHHJINF-AREMUKBSSA-N 573.827 6.149 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Oc3ccccc3)cc2)([C@@H](C)Br)N1 587670335 KEOUSRBDEXCJEF-DQIAKBPPSA-N 519.252 6.942 50 1 KKGF Cc1cc(C)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587674514 XJIMGPGGFWSDPY-BUXKBTBVSA-N 520.078 6.140 50 1 KKGF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)ccc1O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 587941796 SFSOBTRQKDYBAN-MXSVHLQGSA-N 598.092 7.224 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)c3ccsc3CCN2Cc2cccn2C)cc1OC 962395493 DGMASBVELIFPPX-CONSDPRKSA-N 625.585 6.069 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(OC(F)F)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679866 UCWDBWSETVQPFN-SANMLTNESA-N 600.378 6.661 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(C2=O)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014558 IYIJTQORCXNQTC-CXPFPCSRSA-N 569.883 5.569 50 1 KKGF COc1ccc2c(c1)[C@]1(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C1)N(Cc1ccc(F)cc1)CC2 963304169 RLARMBYMYIRWRI-KXQOOQHDSA-N 756.568 7.213 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(C)[C@@H](Br)Cc1ccc(Cl)cc1F 963841361 MEOXJQBXVMYIAB-GSPPDTAYSA-N 554.884 6.645 50 1 KKGF CCOc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1F 1772602963 DPCHJNQELIEWSE-QHCPKHFHSA-N 530.440 6.201 50 1 KKGF Cc1[nH]c2ccccc2c1[C@@H]1C(C#N)=C(N)Oc2c1cc(/C=C/C(=O)c1ccc(Cl)cc1)cc2C(C)(C)C 1857760079 KTNUFEBNPYKYKI-PTIDKISKSA-N 522.048 7.542 50 1 KKGF COc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1[C@@H](CN=C=S)c1ccc(C)cc1 1911581555 IVVPESSFKIKVAH-LCRMXPIESA-N 560.672 5.764 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSS[C@@H](Cc5ccccc5)[C@H]3O6)C4)C1)C2 2356299765 GTEOLYKODCLBJO-PPLGLSKLSA-N 974.258 10.403 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](O)C7CCCCC7)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356300493 MUIWYRWCAIBLJM-DWVMZSNLSA-N 949.293 10.179 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O 2356368766 OCBIJFJFCBPYMV-SKBPANERSA-N 682.857 6.667 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@@H]2O)c1O 2356459803 ZQGRECLODSEVMW-GWVHWHNXSA-N 768.991 7.760 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@@H]4[C@@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356541700 GYKGSNGFZDRSDD-NMRBEJDTSA-N 744.171 7.396 50 1 KKGF CN[C@@H]1CSSC[C@](C)(O)CC[C@H]([C@H](C[C@H](OC(=O)[C@]23CCCC[C@@H]2CCC(=O)N3)C2([C@@H]3CC[C@@H]4CCOc5c(O)ccc3c54)CCNCC2)OC(C)=O)CC[C@@H]1O 2356561214 UBSZCXOFLKNAPA-WNXNRLBESA-N 846.166 5.850 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356709583 LCUTYJNSPXSBGY-OMFJLMHKSA-N 713.141 12.644 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O)COCC#CCC(CCCc2ccccc2)=CCC1 2356765237 DNNNDNDFROEAQG-ZVWRIMERSA-N 626.878 7.385 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356775300 LBTXTJUMFVVZJA-DHDJWXLZSA-N 845.175 5.741 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356780440 WQXRNKLSXOZKHF-NPICMPDBSA-N 612.898 6.515 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@H](C[C@@H]4[C@@]56CCC[C@]43C[C@H](O)[C@@H]5C[C@H](O)CC6)[C@@H]2CN2C[C@H]3CC[C@H](CCc4ccccc4)c4ccccc4CSSC[C@@H](C3)[C@@H]21 2356869006 XGXXXSGPJOUVQJ-YLNCEKLMSA-N 756.175 9.510 50 1 KKGF CC1(C)CC[C@]2(C(=O)NN)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145585 JGJOEMKAPJEZCG-UQMAOPSPSA-N 505.703 5.196 50 1 KKGF O=C(NNC(=O)c1ccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)cc1)Nc1ccc(Oc2ccccc2)cc1 49605377 CMHLHOMTPFCKLN-UHFFFAOYSA-N 560.658 6.201 50 1 KKGF CC(=O)O[C@@H]1C[C@@H]2CC3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(N)=O)[C@@H]21)OOC1(CCCCC1)OO3 58538303 WNOGEFNCBBDQRI-IJRAKXEISA-N 561.760 6.355 50 1 KKGF C=C[C@@]1(C)CCC=C(C[C@@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2c(OC)cccc24)OCO3)[C@H]1C(=C)C=O 85738827 XXQZGCCUBVSBKJ-XKMOLYPPSA-N 557.599 6.858 50 1 KKGF biogenic,in-vitro CCCCCC/C=C(\CC(=O)NNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)N[C@@H](Cc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)NC 95540463 HDFXAYMYXQRRFT-ATRWTNPRSA-N 798.804 7.334 50 1 KKGF O=C(C[C@@H]1CSC(N2N=C(c3ccccc3)C[C@@H]2c2c(F)cccc2F)=N1)N/N=C/c1ccc(Br)cc1 98082047 DXXMFBFMHFIRMH-IILAJZGBSA-N 582.474 5.890 50 1 KKGF COc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 98082873 SJXCQVXZMWPZOE-OXTFRPIQSA-N 533.604 5.136 50 1 KKGF CC(=O)O[C@]1(C[C@@H]2CC[C@@]34[C@@H](Br)CC[C@@](C)(O[C@@H]3O)[C@@H]24)CC[C@H](Br)C(C)(C)C1 140449241 CKHNDLWTFRQLAJ-IAHWQSJYSA-N 522.318 5.329 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)c2ccc(CO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 150598728 CVHGDJACUJUWGU-BHTORHTOSA-N 659.824 6.979 50 1 KKGF C=C(C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]1[C@@H](CC[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O2)[C@@H](C)CC[C@H]1O 169962061 AMEKTZOFUFOJDQ-AGTUOLLVSA-N 552.869 7.200 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299843841 ORSKCTIDJPPMJJ-HVDVFVMNSA-N 898.538 6.320 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299843842 ORSKCTIDJPPMJJ-JSOBYLDCSA-N 898.538 6.320 50 1 KKGF C[C@@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299848653 UVECCUOFVSIRQV-ZBLLGOOFSA-N 746.942 6.670 50 1 KKGF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCCCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 473123540 LVZVVUUKQOBPNV-XJVDRXDBSA-N 663.903 9.456 50 1 KKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586973391 JOODJOFNCRHFRS-SECBINFHSA-N 520.159 8.030 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(F)cc1)([C@@H](Br)[C@@H](Br)c1ccc(F)cc1)CC2=O 587467859 TWKUSZUJYQWQDU-AYRHNUGRSA-N 580.263 7.383 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 587555311 KKNJKLUJJSRYHM-RBJSKKJNSA-N 525.935 6.497 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 587672348 FIKGWEKXETZNCG-ZSEKCTLFSA-N 520.281 5.360 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 587674206 UPRPMWBSPBARSM-ZLOXQWCVSA-N 558.116 7.616 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 587721568 PLGAKUVWUFGCFN-WNWIJWBNSA-N 500.008 6.207 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)ccc(Br)c2Cl)N1 587723111 VGFZHBVCGJRBRU-WNWIJWBNSA-N 544.459 6.316 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Cl)c1Cl 587848391 IGQFIGULRXSPLV-DGIBIBHMSA-N 574.137 5.861 50 1 KKGF COc1cc(/C=C2\CC/C(=C\c3ccc(OCCCn4ccnc4)c(OC)c3)C2=O)ccc1OCCCBr 653753997 PKOPXFVWURKDPW-WZGDJCGDSA-N 581.507 6.363 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cc(F)ccc1O)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671691 DWRDVUCSTOTFMH-RUZDIDTESA-N 568.361 5.904 50 1 KKGF CC(C)(C)[C@]1(/C(C#N)=C/c2ccc3c(c2)OCO3)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963242197 XMWNKQCWJQEVRQ-VBAJGRQHSA-N 732.702 7.046 50 1 KKGF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](Br)[C@]4(N[C@H](C(=O)O)Cc5ccc(O)c(C)c54)[C@@]3(C)CC[C@@H]21 963549233 JEPAULPTEBSUEF-IOCDGTTESA-N 568.508 5.350 50 1 KKGF COc1ccc2c(c1OC)[C@](c1cccs1)(C(Br)Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963807649 LCVSTVFQWQOKET-AREMUKBSSA-N 618.347 5.874 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)([C@H]2C[C@H]3CC[C@H]2C3)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947611 OHNKCUIGWLEMAV-YMKVSTLGSA-N 632.292 5.694 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCC(C)(C)C 1857596924 OUQBEKPJSQPOED-WXKBGNPMSA-N 673.971 9.906 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOC(=O)CCCC[C@@H]4CCSS4)c4ccccc34)[C@@H]21 1857636669 NVFGTRLNVBVSMG-ONOMSOESSA-N 549.762 6.436 50 1 KKGF CC[C@@]1(OC(=O)OCCSSCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/OC(C)(C)C 1857768548 KVNXBNOUUGVGCX-AIWAZMOTSA-N 853.058 5.613 50 1 KKGF O=C(OCCCCCOc1ccc(-c2cc(=O)c3c(O)c4c(cc3o2)OCCO4)cc1)c1ccc(N(CCCl)CCCl)cc1 1857772699 SSAKZFKCNPKURG-UHFFFAOYSA-N 642.532 6.627 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)COC(=O)c5cccnc5)CC[C@]43C)[C@@H]12 1857773511 UIZRIZIAGBMQFI-WPXXFUSHSA-N 630.826 6.937 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5c(CNCCCO)c(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O6)C4)C1)C2 2356301241 RSZMIUSJIDYSLK-RHAVANDRSA-N 971.255 8.264 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OCCCO)C3)c2O)C12CCCC2 2356350791 JSSZVIFQCKYAGS-YTPDSJAFSA-N 953.322 8.669 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@]21O 2356352856 CNSRQYAMZJJCGD-AEWWHGDASA-N 982.455 9.700 50 1 KKGF CCCC[C@@H]1CC[C@@H]2CCC[C@]23c2cc(c(O)c(O[C@]4(CNC)CC[C@H](C[C@H](O)OC)C4)c2)NC(=NC)NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@@H]13 2356353961 DVGYYPMYMCHVFP-IOUXOQMSSA-N 893.270 9.347 50 1 KKGF CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@H](C)C1(C)C)O[C@@H]2O 2356401396 BYGFDSFPDBVAMG-JNJUEYDESA-N 626.919 8.716 50 1 KKGF CCCCCCCCCCCCCCCC(=O)Oc1c(CC=C(C)CCC=C(C)C)c(O)c2c([C@H](CC)OO)cc(=O)oc2c1C(=O)[C@@H](C)CC 2356412649 WVJSYWPTTUYENB-SHUZPENHSA-N 710.993 12.290 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356515988 HZDPBFGZGQOUKY-RYOCRDEOSA-N 742.964 5.953 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4[C@H](CNC(=N)N)[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@@]34C)[C@H]2CCCCC2=C51 2356652829 RTNGFZYHHABRLC-GQNOJIACSA-N 886.282 7.215 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356665401 FWGOBHRCYWDLJQ-XEFRIKGMSA-N 781.098 7.270 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)CNC[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)[C@H](c3cc[nH]c3)CSSCO[C@H]2[C@H]1O 2356815016 CNNKGXLWRUKTHU-UBAOZIJHSA-N 865.039 6.951 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)CSSC[C@H]1C1=CCN=C1 2356833139 IETYKMWTDMBRKM-DPNGWXEHSA-N 597.799 7.386 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3cc(C4([C@@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356834983 HOFXBTVUUVINSS-TUBIRUFXSA-N 846.105 5.177 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356858246 SXVMOVAOPXFNDZ-IWKUYTSGSA-N 924.283 7.310 50 1 KKGF CCCCC1(CCCC)[C@H](O)[C@H](c2cccc(NC(=O)CCl)c2)c2cc(N(C)C)ccc2S(=O)(=O)N1C 27194755 KGCGCEWAJOGOQT-KAYWLYCHSA-N 550.165 5.176 50 1 KKGF COC(=O)[C@@]1(CCCCCCNC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)C[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]2(C)[C@H]1O 49615906 ZAVVMYMEAPPQPA-CTTCTWJTSA-N 715.803 7.752 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl 82186890 NMCVKFSTCRQUOH-FQLXRVMXSA-N 652.581 7.761 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2(c3ccccc3)CCCC2)SSC1 85596449 ADDZEYWFGPEXIB-DOOCJNCXSA-N 630.876 8.265 50 1 KKGF biogenic,in-vitro Cc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@H]3CC[C@]1(C)O3)C2=O 103236171 NLSPRIUKOHATQS-VCQHOALXSA-N 511.442 5.292 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@@H]6CC=C5C5(CCCCC5)SSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 150342835 XHVFMQNJUVKUMR-HWWQLZEVSA-N 951.304 10.475 50 1 KKGF biogenic,in-vitro CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/C/C=C(\C)CCCO[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl 299865609 NYVDLPJGHWBXKG-GBXFEBKISA-N 631.710 10.489 50 1 KKGF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587092700 WYUIAILTPHPXAT-UHFFFAOYSA-N 566.190 8.005 50 1 KKGF CC[C@@H](C)n1ncc(I)c1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587181622 XFJXQYQAJZWOQD-SSDOTTSWSA-N 571.151 7.422 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191161 PYAOGYGLHUDEHK-RJCQRBOISA-N 629.764 7.614 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Br)c2F)[C@H]1c1ccc(F)cc1 587330296 GQWPKMXYEAHQPQ-UGKGYDQZSA-N 524.155 6.082 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C(Br)(Br)CBr)N1 587669510 DQRGFJKTQBTFPO-UPONEAKYSA-N 508.849 5.045 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(I)c2)N1 587737379 FCPCIYZWBXYJDE-BTDLBPIBSA-N 539.024 5.366 50 1 KKGF COc1cc(/C=C(\C#N)[C@]2(c3ccc(O)c(O)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O 587740136 WRNXXRRROAWGGZ-OAOHUWAZSA-N 651.270 5.703 50 1 KKGF C[C@]1(c2oc3ccccc3c2NC(=O)CCl)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963081600 MELOMUOIFJTMQS-SZZNSYQTSA-N 807.192 8.830 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@](CBr)(c2cc(Cl)c(Br)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963186783 JUEOSIVKZNAGLN-YZNIXAGQSA-N 689.759 7.734 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)[C@@]1(c3ccccc3C2=O)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963578461 GBSQFDBHRYHBOP-PGUFJCEWSA-N 669.059 6.372 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCl)(c1cccc(C(F)(F)F)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963731928 RFWBQIDQKYORSG-SSEXGKCCSA-N 585.022 6.734 50 1 KKGF CO[C@@]1(C)OOC(C)(C)C[C@H]1COCc1cn(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nn1 1857541731 QRWHOVPLNKZNSN-CMVGPNDKSA-N 574.682 5.288 50 1 KKGF CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)CCCC[C@@H]1CCSS1 1857562900 ZPSWYIUCRQOXDP-GOSISDBHSA-N 545.105 7.116 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@]1(C)C(=O)CC[C@@]2(C)[C@H](C/C=C3/C(=O)OC[C@H]3O[Si](C)(C)C(C)(C)C)[C@]3(CC[C@H]12)CO3 1857633267 XSXSHQWMZJSEDQ-QRJNCORLSA-N 592.966 7.443 50 1 KKGF COc1ccc(O)c(/C=N/NC(=O)c2ccc3[nH]cc(C(c4ccc(C)cc4)c4c[nH]c5ccc(C(=O)N/N=C/c6cc(OC)ccc6O)cc45)c3c2)c1 1857750499 ZONBLCOMNYDAIC-FTNJMUCTSA-N 720.786 7.094 50 1 KKGF CCCCCc1cc2c(c(OS(=O)(=O)c3ccc(C)cc3)c1)[C@@H]1[C@@H](OO)C(C)=CC[C@H]1C(C)(C)O2 1857774535 JNXURFYVNRWGOD-JBBQQGGESA-N 500.657 6.574 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1C(C#N)=C(N)N(Nc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1911581097 FNEHZIQESSJBDL-PMERELPUSA-N 592.650 7.015 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Br)Br)CCCC[C@@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356323023 FVWPSKYVDXFOTC-PSEBVYMRSA-N 828.680 11.360 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@H](O)[C@@H]3O)cc(C(=O)O)cc2c1O 2356368356 KSNDLQXVZFSTBG-VDQKTDBLSA-N 843.026 5.601 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(C[C@H](NC[C@H](C)O)C[C@@H]5CC(C)C)C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356370546 BUXRLMIVRPHVIY-NQBIQZRASA-N 854.138 5.205 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](C4(CCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356373307 XRBRGIRABCLNTL-FCWXIFFMSA-N 936.383 8.475 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2C[C@@H]([C@H](C)[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC24CCCC4)[C@]1(C)C[C@@H]3CNC(=N)N[C@H](C)O 2356502090 XKPUODGPDDWHRG-FOIGGVMRSA-N 979.452 7.921 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356751818 PNFJUUUADRHTHT-QUBXMWLDSA-N 944.229 8.751 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356779658 VUBROGPTPRHSHX-RNLCMEEOSA-N 714.995 6.031 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](CN2C=CNC2)SSC1 2356805909 AEGHNFCSANQAJG-WHLCRQNOSA-N 568.765 5.087 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@@H]1CO)N43 2356847985 PBJWUKPZQYQMLD-CXSONOAXSA-N 764.063 7.154 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)CSSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356869260 XKEQBVLPYYNKFM-LGGXPLOOSA-N 868.175 8.307 50 1 KKGF C=C(CC[C@H]1O[C@@H](C(C)(C)O)CC[C@]1(C)O)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 28254804 HNBHVVFQILQXFN-XHUBHDEASA-N 587.636 5.989 50 1 KKGF O=C(N/N=C/[C@H]1NN(c2ccc(F)cc2)[C@H]2[C@@H](Cc3cccc4ccccc34)CCC[C@H]12)c1ccccc1 40457093 IWRDBMLARBRACV-MPSWGWNFSA-N 506.625 6.116 50 1 KKGF COc1ccc2[nH]cc(/C=N/NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@H]5[C@H](C[C@H](O)[C@@]43C)[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@H]5O)c2c1 72135869 KUWOWFRZDUOODZ-ITYQNRBQSA-N 579.782 5.004 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96907840 OIVQSYKRZMOPEE-SSEXGKCCSA-N 605.620 7.858 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2cccc(OC)c2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293427 JVDFKKISXRBLNQ-UHFFFAOYSA-N 506.668 6.815 50 1 KKGF CCC1=C(C)C2=NC1=Cc1[nH]c3c(c1C)=C(O)[C@H](C(=O)OC)C=3C1=NC(=CC3=NC(=C2)C(C=O)=C3C)[C@@H](C)[C@H]1CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 150342938 ZUIXRRNSAMNEOW-NANWBASVSA-N 873.192 10.632 50 1 KKGF in-vitro CCC1=[N+]2C=C3N=C(C=C31)CCC[C@H]1CCC[C@]3(C1)C(=O)NC[C@@H]3[C@H]1C=CC[C@]3(C1)Oc1c(cc4c(=O)cc(C)oc4c12)C[C@H]3OOC[C@@](O)(Cc1ccc(O)c2ccc(O)cc12)[C@@H](O)[C@H](O)[C@H](O)CO 150345530 VYNYTACJLXBRCD-CCXCRGOYSA-O 973.109 5.509 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CC/N=C(\N)NCSSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O 150348713 OQLBRBVZRBZVJY-RGQOZWGDSA-N 781.098 7.278 50 1 KKGF biogenic,in-vitro COc1ccc([P+](CCCCCCCCCCNC2=CC(=O)c3ccccc3C2=O)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1 195513206 BONKKQKEEMRLRQ-UHFFFAOYSA-O 664.803 7.680 50 1 KKGF Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586932994 IJJWYXCZCLKVNM-SSEXGKCCSA-N 748.800 8.392 50 1 KKGF COCCN1C(=O)CC[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]1c1ccccc1Cl 587061591 OJLJUCKPAUFCNV-VBKZILBWSA-N 588.824 7.730 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587323744 SVJACDDGYINYOI-RCZVLFRGSA-N 530.346 5.660 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2cccs2)(C(Br)Br)[C@H]1c1ccc(F)cc1 587375518 MRNGDWAHCXPONR-PXNSSMCTSA-N 512.194 5.963 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cc(Cl)c(CBr)c(Cl)c1)CC2=O 587455353 AWKBKVGQZPBNNE-RUZDIDTESA-N 520.250 7.455 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Oc2ccccc2)cc1 587537529 HALDMQGIGRVKGK-IGKIAQTJSA-N 503.348 6.437 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(CBr)cc2)N1 587671670 AAZHHLDJWPZFJN-ADLMAVQZSA-N 506.051 5.656 50 1 KKGF CCC[C@H](CC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781063 DCDXWTUSPYCUNP-GOSISDBHSA-N 595.472 9.344 50 1 KKGF CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc(C(C)(C)C)c1O 587922626 GERVQPZNYHGLKB-JCMHNJIXSA-N 549.715 9.462 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(/C(=C(\C)NNC(=O)c3ccncc3)C(=O)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673930 LKAVZMCVKWXGNM-NWNCVJAISA-N 642.634 5.465 50 1 KKGF COc1cc2c(cc1OC)[C@](C)([C@H](Br)Cc1cccc(Cl)c1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683386 XXVWLUOWECODAE-SHQCIBLASA-N 614.861 7.435 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1ccccc1 962958748 OUKLVNDAFGYLBR-NFQMXDRXSA-N 503.008 6.635 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1/C(=O)c2ccccc2[C@@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962959772 QKBWLPQPFIGMSD-CVFWLPFASA-N 547.577 5.005 50 1 KKGF COc1ccc([C@@]2(CBr)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(Cl)c1 963041234 PSFSABWVKFWOPU-YDYNHKSESA-N 668.918 7.526 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1ccc3ccccc3c1)N(C(=O)c1ccccc1N)CC2 963135997 CUBYFMJQQHNESG-GDLZYMKVSA-N 531.450 5.776 50 1 KKGF COc1cc2c(cc1OC)[C@@H]([C@H]1C(C=O)=CC[C@H]3C(C)(C)CCC[C@@]31C)N(C(=O)c1ccccc1N)CC2 963146955 YIHPOFVMKSIPEV-ZRDZJBIISA-N 516.682 6.003 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@]2(CCC[C@@H](Cl)C2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963221146 WMHCWLVUMZOQEJ-VRKZSPICSA-N 608.003 5.846 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(c3ccccc3CC[C@@H]1Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775028 HRRMTVLNRKUXNP-QCDSWUKFSA-N 559.460 5.406 50 1 KKGF CCCCCCCCCCOC[C@H]1CN(C(=S)SSC(=S)N2CCCO[C@@H](COCCCCCCCCCC)C2)CCCO1 1772582262 YPSCMNQUKHHZAR-ROJLCIKYSA-N 693.164 9.434 50 1 KKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1ccc(O[C@H]2C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1857555517 MERMPLBIOKUTRS-LOAGWBBBSA-N 611.054 6.235 50 1 KKGF CCCCC[C@@H]1[C@H]2CCNC(=N)NCSSCCCCCC[C@@H](O)C[C@@H](OC(C)=O)CCc3cc(c(O)c(OC)c3)CN1C(=O)C2 2356353898 DGWUCJMCSIOUDO-UZFGVPKDSA-N 680.978 6.121 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356405061 FUWGTKDNYPIOQU-KEAVCQKCSA-N 759.085 6.340 50 1 KKGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]3CC[C@]21C 2356549171 UCSGOFGFMZNLMQ-KQBGNCLESA-N 500.928 10.108 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4Nc5nccc6c5C5=C4CC=C5[C@@H]4CCC[C@]64C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356567123 HWPCPVHAJCTSBL-IQFPYHPYSA-N 848.996 5.101 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)CC[C@@H]4CCC[C@@H]4[C@@H]5CNC[C@H](C)O)c3)cc1CO)C[C@@H]2N 2356654710 HPMNOSZERCAAMO-GZGRYBMISA-N 923.344 7.726 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@@H]1OC(=N)O 2356657871 WRARFMLYIOUCLD-QJXFPSRWSA-N 828.680 11.014 50 1 KKGF C[C@H](O)CNC[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCCC[C@@H]5CSSCc6c(CO)ccc7c6C=C[C@@H](C[C@@H]5N)[C@@H]7O)o4)ccc3O)[nH]c2CC[C@@H]2CCC[C@@H]21 2356767712 FYXKOSZWFUYYOW-XTNVVALPSA-N 930.287 8.320 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)[C@H]3CSSC[C@H](CCO)[C@H]4[C@H](CO)C[C@H]1CC1=C3C(=O)C[C@]142 2356780330 SQUOMULSAIDJOA-LNUBIBGMSA-N 838.287 6.344 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5C[C@H](O)C(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356823188 GJPNRCQZCZVKFP-PXULNQRSSA-N 899.186 10.753 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(=O)C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356828737 IKJZLJRXFSMVGG-RCPHIALYSA-N 599.903 6.152 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1CC[C@H]4[C@@H](O)C1 2356842698 MXIWWICXYPOOBV-DOSHQRDHSA-N 863.031 5.919 50 1 KKGF COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1ccccc1C)=N\NC(=O)c1ccc(C)cc1 5596227 CNYPBBCKYVQRBR-HEXIMOTKSA-N 507.598 5.821 50 1 KKGF CCCN(CCC)C(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145550 SRSFZOYALRVOOJ-INFDGNIISA-N 574.850 7.855 50 1 KKGF COc1cc([C@@]23CC[C@H]4SS[C@H]5C=CC[C@H](CC[C@@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@@H]4[C@H]2O)O3)C5)c(O)c(OC)c1O 85567665 RGPVUBVHEWFNBM-AJOIJFRRSA-N 736.905 6.437 50 1 KKGF biogenic,in-vitro O=C(OC(=C(Br)Br)C(Br)(Br)Br)C(Br)Br 86040123 YVYFZWLNZNINHT-UHFFFAOYSA-N 652.389 5.443 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCC(C4CCN(CC[C@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@]86OO7)CC4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95543419 AQFNFXRWNFAZME-LNGJLCJZSA-N 757.066 7.692 50 1 KKGF COc1cc2c(OCCCCCCBr)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 98084322 GMZUADXAYXYGOD-UHFFFAOYSA-N 543.410 6.257 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl 103951247 SXBZJMNOIXAHOA-SFHVURJKSA-N 540.813 5.579 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@]3(C)CC[C@@]3(C)CCC(C)(C)C[C@]23OO)C1(C)C 143247789 IFOAOMXLDNSULJ-AEMVHHINSA-N 514.747 7.531 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc7c4C=C[C@H](N7)SSC[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344168 GCZLSRBIXDVHDI-SRVRPXTRSA-N 832.101 9.718 50 1 KKGF biogenic,in-vitro COc1ccc(-c2c3nc(c(-c4ccc(OC)cc4)c4ccc([nH]4)c(-c4ccc(OP(=O)(NCCCl)NCCCl)cc4)c4nc(c(-c5ccc(OC)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1 150590462 LMFRLZRMEFQIFD-UHFFFAOYSA-N 923.838 12.493 50 1 KKGF O=C1OC(=O)[C@@H]2[C@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2c(Br)c(Br)c(Br)c(Br)c21 160456770 BGYCSUWVTBUNEJ-UYADZXDASA-N 683.972 6.583 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC#Cc3ccc(-c4ccc(C#CCO[C@@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@]86OO7)cc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309801 CUBVVDUVPFUEAL-DADRXRKZSA-N 794.982 8.506 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 195167637 SBWFAIGFKMBQFX-MOUYKQRMSA-N 798.421 5.306 50 1 KKGF CSC(=S)O[C@H]1C[C@@H](n2cnc3c(NC(=O)c4ccccc4)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195506611 KRWSBTMVAZGCMH-OTWHNJEPSA-N 559.790 5.421 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299816111 ROQIHFFCAPNSHV-DKYYUWOWSA-N 594.742 5.436 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2sccc2Br)[C@H]1c1ccc(F)cc1 587376849 QHSFTWNVVIMAEF-FXAWDEMLSA-N 512.194 6.005 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 587712700 BKCKQISYNCZYLV-CCLKGCNTSA-N 541.839 7.002 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 587713892 OJGJVEPTHRGWQH-KHOHOQSSSA-N 612.440 7.975 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1 587846402 DJBCEZBLQAQMSH-VKGTZQKMSA-N 504.383 5.970 50 1 KKGF O=C(O)[C@@H]1C[C@]23[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@]2(C[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl 653764986 PRQKLNWDZMXELK-UXTCYRNKSA-N 643.130 6.196 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962665166 LCXPHBWTRBRVKF-NYDQNWGQSA-N 518.249 5.123 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CBr)c1ccc(F)cc1C(F)(F)F 962987012 KOXUQDOZGMJLHE-HHHXNRCGSA-N 628.844 6.811 50 1 KKGF CC(C)(C)[Si](C)(C)OC1CC2(C1)c1ccoc1C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963190987 SASGAPGOVYDSBW-FHUIGXTFSA-N 559.735 6.920 50 1 KKGF Cc1cc2c(cc1O)[C@](C)([C@@]1(O)[C@@H](Br)C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]31C)N[C@H](C(=O)O)C2 963527998 ROGQCCIMTWSOJR-VWJCHEFYSA-N 586.567 5.151 50 1 KKGF CCN(CC)CCOc1ccc(Nc2nc(-c3ccccc3NC(=O)CCCl)nc3ccccc23)cc1 1772625244 DYHCWSNVBFWKJW-UHFFFAOYSA-N 518.061 6.328 50 1 KKGF CC[Si](CC)(CC)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857539812 DQQJPBRZBQRHIP-QDAKDZOQSA-N 584.870 6.382 50 1 KKGF O=[N+]([O-])c1ccc2[nH]c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)[nH]c2c1 1857548649 PRLOJFVLADYURL-UHFFFAOYSA-N 609.471 9.184 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c1N[C@H](c1cccc3ccccc13)C[C@@H]2c1ccccc1 1857645324 JNQNHZHYURSYMW-GPOMZPHUSA-N 535.627 8.168 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@H]1c1ccc(Cl)cc1 1857652506 AHKIBCOANMDZAQ-NNYRAMOGSA-N 581.109 6.624 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSSC3 2356292738 WISRFKOVVQERKG-IROKRLNBSA-N 971.295 10.282 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)CC[C@]6(O)C[C@@H](NC(=N)N)CSSC4)O[C@H]21 2356295314 ZEGDPFLSHFYAPL-QNKLCWTQSA-N 708.903 5.945 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](c2cccc(O)c2)SSC1 2356307152 ZEFUYPXEFILTJV-ZBVFCZEXSA-N 604.794 7.212 50 1 KKGF CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2 2356321277 CKGGHMQKVKSOSM-YURPSRGKSA-N 820.090 8.176 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](C4(CCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356369424 WTGNADDMECVHGQ-SLPOSKKRSA-N 952.382 7.448 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356381894 FIQCFVPZIFWCEA-GOTWVOIBSA-N 955.345 9.430 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356493344 PCDHKDBACXMISM-CQQWEFPFSA-N 910.257 5.331 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@H](C)[C@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356608623 RHWGELGQTCGCNJ-DTDOVMAYSA-N 612.980 11.189 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)C[C@H](C2(O)CCCC2)C[C@@H]2CN(CCCOC)CC[C@@H]21)C4 2356654312 QFLXSRJKMHREAP-ZGACXMQSSA-N 953.139 5.235 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC[C@@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356833140 IETYKMWTDMBRKM-PJVKZBBJSA-N 597.799 7.386 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@H]1CO 2356833451 KGEWTVSDBMSGAA-YSQQEWQDSA-N 802.112 7.738 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356852321 QPIZVYVYWMADDJ-BBMPBKHXSA-N 907.301 8.230 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24CCCC[C@H]3[C@H]1OC4=O 2356861454 UJFBSWKXEYVEHG-LAHMBOSGSA-N 820.994 6.703 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356864883 YWRJGRVUCGSQAC-HPGOASCASA-N 850.185 7.302 50 1 KKGF COc1cccc2c1[C@H](O)[C@]1(O)CC(=O)C(C)=C([C@@H](Sc3ccccc3)[C@@H]2OCCBr)C1(C)C 26746853 VACZRZGIQOFPGK-HIQYAUPDSA-N 547.511 5.402 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 49938135 YTTUSWGEBSUIQM-RXLVGJJOSA-N 572.830 9.152 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 58543250 HVQCHMISIPQSDU-RSWSVOHDSA-N 557.873 6.064 50 1 KKGF CC(=N/NC(=O)COc1ccc(Cl)cc1Cl)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 73198363 FGFGTOPCLKXQDJ-XTXFLMMRSA-N 553.855 5.417 50 1 KKGF CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(=O)NCc1ccccc1)c1ccccc1F 103217126 VHTDYHKCHFXOHA-CFDCUEGPSA-N 579.631 5.128 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 150347702 XWZFZHPAQIJHEA-ARQIMRCASA-N 877.135 7.280 50 1 KKGF biogenic,in-vitro O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2ccc(CBr)cc2)[C@@H]1c1ccc(F)cc1 587324390 YIVBJCDQXLCOGP-IXCJQBJRSA-N 503.367 6.729 50 1 KKGF CC(=O)O[C@]1([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587541331 AZWGIFGJEHTQNG-RDOITSIASA-N 665.610 7.754 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587542403 HAFAXPUWUYFJKP-WXGMZPBLSA-N 570.045 5.693 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 587672393 FSTMHJUAZHTTMG-BZQUYTCOSA-N 610.159 7.006 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587712435 ASDCCEWNCLMPIR-YYUOZPCZSA-N 562.257 7.267 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)N[C@@H](C)Cc3ccc(F)c(Br)c35)[C@@H]2C1 587716183 IVSOWDUZGJINPX-LCAKKHALSA-N 606.979 6.854 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1cc(Cl)cc(I)c1 961750014 NNHVHHKRCPSPLV-XMMPIXPASA-N 617.753 6.734 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CCl)(c2ncc(Cl)cc2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 962478470 VRPHRYIVPSYJRW-FYBSXPHGSA-N 639.333 6.635 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)(c2ccc(Br)cc2)N1 963162243 NGYOODYKZNUSBX-HJIQQCSTSA-N 653.020 7.212 50 1 KKGF C/C(=N\NC(=O)c1ccc(Br)cc1Br)c1cc(Br)cc(Br)c1O 1857565675 LTQBHDSFIDNZRG-IFRROFPPSA-N 569.873 5.596 50 1 KKGF O=C(CCc1ccc(O)c(O)c1)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857613420 IMLLSTNLQXKNMH-UHFFFAOYSA-O 526.637 5.701 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCCCCCCCCCOC(=O)[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857650503 VIXUANOTIJIULO-JMNFUQQJSA-N 762.978 7.983 50 1 KKGF CCOc1ccc2c(c1)sc1nc(-c3ccccc3)c(COCCCCCCCCCCBr)n12 1857752575 KUDJAXLNCIIJOA-UHFFFAOYSA-N 543.571 8.647 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1[C@@H]1C(C#N)=C(N)N(Nc2ccccc2)C2=C1C(=O)CC(C)(C)C2 1911584577 GKSYFHCKVLOQOE-PMERELPUSA-N 574.660 6.876 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC[C@H](c2ccc(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356369471 XDQILRRCZAEOPS-JVICHNFNSA-N 505.702 6.079 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CC[C@H](CCc4ccccc4)C[C@@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356429747 HGCHFARSIULMOC-YVGAJADBSA-N 968.295 9.788 50 1 KKGF CC=C(C)C(=O)O[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@]2(C)[C@H](CC(=O)C(C)=CC(=O)OC)C(C=O)=CC[C@@H]2C1(C)C 2356430572 VXHKLPBHZWQEEJ-OFJZAMKLSA-N 542.669 5.019 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2(c3ccccc3)CCCCC2)SSC1 2356463014 LUTZEMGCOHRSRV-XKWLHOGNSA-N 644.903 8.655 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@H](CC=C[C@@H](O)CC2CCCCC2)CC[C@@H]1CCN 2356759214 SFOTXCCFEKQWQY-UFIBGADQSA-N 682.049 8.710 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NC3)N[C@H]3CC5=C[C@@H]2[C@]41[C@@H]1C=C[C@@]2(CO)O[C@@H](Oc4cccc5c4C(=O)[C@@]4(CSS3)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]4C5=O)[C@@H](O)[C@@]1(O)[C@@H]2O 2356827801 IPRRIIKMYQHYEK-GAZVKWJVSA-N 959.152 5.058 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](C1(N3C=CNC3)CCCCC1)c1cc2cnc1N 2356847017 OSSQCFOSVAKXAT-BTJWGCDLSA-N 660.906 7.269 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356852537 QQOULNVXAZYUHE-HCBMLLFXSA-N 971.164 5.841 50 1 KKGF CCCCCC(=O)OCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOC(=O)CCCCC 29465873 FEQZRWCLMFZYFZ-UHFFFAOYSA-N 616.846 6.973 50 1 KKGF Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(Br)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84724946 GOPDIOJMAHFDSH-DEOSSOPVSA-N 562.899 6.723 50 1 KKGF Cc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)cc1 103185602 AVGMNEJNVJMTMG-BJKOFHAPSA-N 566.839 5.954 50 1 KKGF Cc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)cc1 103185606 AVGMNEJNVJMTMG-DNQXCXABSA-N 566.839 5.954 50 1 KKGF O=C(c1cccc(Cl)c1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@@H]2c2cccc(Br)c2)o1 103185683 WBQDMLSBXHIHGG-VXKWHMMOSA-N 607.675 6.644 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCCCC(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 195916711 AQORIEFKNIFUEU-UIMLKPNVSA-N 901.272 7.621 50 1 KKGF COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc1OC 299830425 ILGFIUZJISYLNI-MHZLTWQESA-N 554.643 6.226 50 1 KKGF Fc1ccc(-c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587145647 OZZGQGQJTQKYOW-UHFFFAOYSA-N 511.260 8.595 50 1 KKGF COc1c([N+](=O)[O-])cc(F)cc1[C@@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335205 OAZHGAAAHMKRFZ-NFBKMPQASA-N 520.282 5.237 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]3[C@@H]4C=C(Cl)C5=CC(=O)C[C@H](CCl)[C@]5(C)[C@H]4CC[C@@]31C)CC2=O 587462136 WPFZKPTZPWNARU-QYYRCTPYSA-N 629.621 7.710 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)cc1OC 587499525 UVQHNYUMXSELLD-SSEXGKCCSA-N 508.058 6.343 50 1 KKGF Cc1c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccc(Cl)cc12 587852388 GBZABDGXDXGWRB-WVDJIFEKSA-N 517.689 6.937 50 1 KKGF CCOC(=O)N1[C@H](C(=O)CBr)Cc2ccccc2[C@H]1c1cc(OCC)c(OCC(=O)NCCc2ccccc2)cc1Cl 962998233 TYYZLEVDBNSWIL-HVNZXBJASA-N 657.989 5.913 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](Cc2ccccc2)([C@@H](Br)c2ccccc2)N1C(=O)c1ccc(Cl)cc1 963014758 JVUJNFHWLOUFCG-DWDWHFOYSA-N 613.939 7.547 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)NCCc1cnc2c(OC)cccc2c13 963059260 QBNDLOOOAGBDTL-GZIGLPORSA-N 663.230 6.730 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@H](c2ccc(N3CC[C@@H](CO[Si](C)(C)C(C)(C)C)C3)nc2F)N1 963163817 RRSNXYMQUKSTCI-IYTRSEJESA-N 758.027 8.438 50 1 KKGF N#Cc1cccc([C@]2(C(Br)Br)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c1 963188475 JQQJKGAMYABMHS-ILBGXUMGSA-N 521.256 6.041 50 1 KKGF CC(=O)SCC[C@@]1(CCl)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963222657 ZRTCDQRVGIKZQK-QABMSTFYSA-N 656.069 5.573 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CBr)(c2cc(OC)ccc2OC)N1C(C)=O 963328687 HIIYCQXDIAPSHH-QOIMHMMJSA-N 812.692 5.146 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]34CC[C@@H](C)C[C@@H]4Br)nc(Cl)nc21 963916508 SWZLUBSAZINHES-XZRIDHLOSA-N 504.860 5.608 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@]2(/C(=C(/C#N)NCc3ccccn3)C(=O)c3ccccc32)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939436 XFSUNLSVWQPLSN-MFRLTDIWSA-N 748.931 5.226 50 1 KKGF CCOc1ccc(-n2nncc2CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1 1772590428 JHYWFLZXXOMMFD-KXQOOQHDSA-N 642.679 5.835 50 1 KKGF CCCCCCCCOc1c(OC)cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1857564796 ODMWMNDXPJWEJB-NPDQYIIZSA-N 613.715 6.754 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H]1/C=C/C(C)=C/[C@@H]1C[C@@]2([C@H](OC)O1)[C@H](CCCO)/C(=C(\C)C=O)CC[C@]2(C)O 1857567106 YQUJWWPTRQZRED-KRTHSZRDSA-N 516.719 5.039 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)/C=C(\C#N)c5ccccc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857588395 FLBFKUVZPQDVBP-DFAMZXRFSA-N 663.855 8.697 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC/C(=N\NC(N)=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 1857609158 WFFWLOCYOCUHMT-NQYMATELSA-N 511.751 6.753 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(Br)cc1 1857754702 MZNPJRKNDIAOLW-MIEVGZHMSA-N 720.705 8.319 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@H](c3c(C)nn(-c4ccccc4)c3Oc3ccccc3F)C3=C2CC(C)(C)CC3=O)cc1 1911572125 RRPRBCUNPMRFNM-WJOKGBTCSA-N 604.686 6.884 50 1 KKGF O=C(COc1ccc(N2C(=O)CS[C@@H]2c2ccc(Br)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911580931 SCYLXKNQUJNENA-VXVIDZLKSA-N 699.631 5.465 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356295043 XOIQKFSSUYRPGY-MFUYVSDASA-N 703.883 5.120 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356300211 MCYKBDVRSZIFSV-YJICWRDESA-N 905.285 8.560 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@]5(O)C[C@H](NC(=N)N)CSSC3)O1 2356418556 NABLKLNXVOBRAQ-ZGRYLILZSA-N 680.849 5.016 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SS[C@H]1NC2=C4C(=CCN2)[C@@]2(CCC[C@@H]2c2cccc1c24)C[C@@]1(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]1O 2356815704 CUKNVLNBOHVUNE-NJCORVBMSA-N 921.103 5.028 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@@H]4C[C@H](O)[C@@H]5C[C@H](O)CC[C@]56CC=C[C@H]([C@@H]3[C@@H]2CN2C[C@H]3CC[C@H](CCc5ccccc5)c5ccccc5CSSC[C@@H](C3)[C@@H]21)[C@@H]46 2356849903 PNIKXJJBTIKUMB-LKTZLQGBSA-N 754.159 9.142 50 1 KKGF O=[S@@](c1ccc(Nc2c3ccccc3nc3ccccc23)cc1)c1ccc(N(CCCl)CCCl)cc1 3949325 ANKVPXCREYQFAD-PSXMRANNSA-N 534.512 7.582 50 1 KKGF COc1cc(/C=C(C#N)/C(O)=N/c2nncs2)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 36243069 GQVYMUVVHWHJRA-MKMNVTDBSA-N 528.434 6.358 50 1 KKGF CNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 58502174 UACTUOADDMGMCR-ADZGYQDLSA-N 589.814 6.862 50 1 KKGF C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)CC/C=C(\C)CNCC 85544498 YYJITTUVSRWVSB-JECDKFQKSA-N 676.983 6.151 50 1 KKGF biogenic,in-vitro CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1-2 101042815 AFTUJFMZNMVEHV-RSKBYLLGSA-N 537.280 6.878 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1 170069482 QTTFTVPTSUAFOG-ILJQZKEFSA-N 583.805 5.796 50 1 KKGF CC1(C)C(=O)[C@H](Br)C[C@]23C[C@]24CC[C@]2(C)[C@H]([C@]5(C)CC[C@H](C(C)(C)O)O5)[C@@H](O)C[C@@]2(C)[C@@H]4CC[C@H]13 253638220 PJODGMQVMSZZCF-HHSSBVPFSA-N 551.606 6.047 50 1 KKGF CC(=O)O[C@H]1[C@H](Br)C[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H]([C@@](C)(Br)CBr)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C 299805934 FNYVFEZHSGPCEJ-DVCMNEEISA-N 737.452 9.006 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(-c3c4c(nc5ccccc35)/C(=C/c3ccc(Cl)cc3)CC4)[nH]c2c1 587077822 YKIBJUVSVIZSHP-DTQAZKPQSA-N 533.953 9.576 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(CCCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 587320703 GYIXBJQXZFQYJW-WNCULLNHSA-N 538.369 5.100 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329795 FNVGAZNFAKVWLB-JAFPESMTSA-N 639.135 6.216 50 1 KKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1C(F)(F)F 587331451 QKLFVKABDOYGHH-GMAHTHKFSA-N 525.292 6.208 50 1 KKGF Cc1cc([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587499871 WKZRBEWPAZFCPA-HKBQPEDESA-N 530.068 5.870 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1P(c1ccccc1)c1ccccc1 587607717 NLJTVPFDMHXILU-PPTMTGTBSA-N 502.506 5.853 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C(Br)(Br)CBr)N1 587670011 HNXRLVODSSRRRN-KGFZYKRKSA-N 508.849 5.045 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671098 PROYJOPQVNVHIF-XXAQJILISA-N 527.272 6.101 50 1 KKGF COc1cccc(C(=O)[C@H](Br)[C@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587671857 VCSXDVUZSCBZMK-ZQNCRGTDSA-N 577.288 6.030 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587722075 YDBJITKOTSTBNM-QVCZVAFHSA-N 693.069 7.464 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2n1 587858191 PETSYBBMXGCDLG-AMXDTQDGSA-N 510.860 5.790 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)CCl)n2)cc1 587897651 NKQWQCXWJAPVIJ-QFIPXVFZSA-N 576.933 5.578 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cccc(C4=NC(C)(C)CO4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587934205 DLNVSIBPNBCAOI-GIQWCQTMSA-N 538.641 5.325 50 1 KKGF CCCC[C@H](C)[C@H](Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587939584 GVCBUIUXBJIAKF-GDTHEXGYSA-N 813.386 5.216 50 1 KKGF Cc1cc([C@]2(CBr)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)no1 962477004 SEURATDSIQHWIN-FUFSCUOVSA-N 574.431 5.277 50 1 KKGF BrC[C@@]1(c2ccc(I)c(Br)c2)NCCc2cccc(-c3ccccc3)c21 962671595 TXPAQJZJKSLCHN-QFIPXVFZSA-N 583.105 6.505 50 1 KKGF Cc1ccc(S(=O)(=O)n2ccc([C@]3(CCl)c4ccccc4CCN3[C@H](C#N)c3ccccc3)c2)cc1 963183038 ALBLULVEIOXWLZ-FQLXRVMXSA-N 516.066 5.639 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCCOc2ccc3cc(-c4ccc(Cl)c(Cl)c4)c(=O)oc3c2)nn1 1857749051 WSAHHXJOLREDTB-DEOSSOPVSA-N 647.650 7.548 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(Cl)cc4)cc23)cc1 1857749361 FPNBRYSBKUXVQY-FTNJMUCTSA-N 697.626 8.972 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(/C=C/C(=O)NNc4ccccc4)CC[C@]3(C)CC[C@]21C 1857758193 GZFFGRGLCPLWPV-RTLBJOHISA-N 586.861 8.028 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNc7cc(ccn7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356309634 XJGBEEJACFODBZ-ZOBLWSTFSA-N 700.967 8.884 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@H](O)C1 2356354261 XFTCXYAYOKSOOZ-IHJPMXPKSA-N 941.358 10.702 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356375667 HXDBAEKDDTZJNV-SOOQTTQASA-N 825.235 8.625 50 1 KKGF C[C@@H](CC=CC(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@]4(C)C(=O)O 2356419936 JTYXNNOTXILRNY-VMDFANNCSA-N 504.708 5.673 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356639550 UYQCRDHVFRXUDK-MSDHGHNWSA-N 699.895 6.507 50 1 KKGF COc1cc2c3c(c1OC)OOc1cccc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3NCC2)NCC4 2356709205 SBIUDDYYVPETIH-FTJBHMTQSA-N 566.654 5.747 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356759490 TZMUNTBPQXJUKF-WDZJHVDISA-N 923.335 10.730 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@@H](Cc1cccc(CO)c1)[C@@H](CC=C[C@H](O)[C@H](O)C1CCC(O)CC1)C2 2356814496 CIIBUWGQRCLUAQ-IVCQHNILSA-N 768.095 6.166 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356851241 QFLIKEMRYNDTJF-RDJFULAHSA-N 716.022 8.623 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(CC5=CCNC(N)=C5)CC(=O)N(Cc5cc(c6c(c5O)O[C@H]5CCC[C@H]5CC6)C[C@H]1CC[C@H]3C2)C4 2356853778 RJBBKJUQRWXURG-GVRYJICBSA-N 959.377 8.866 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356857018 SFQRQLHGRMRFJF-QBOFVGCGSA-N 675.873 5.403 50 1 KKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@H](Nc1cccc(C(F)(F)F)c1)OO2 64448995 KIVNCYFMTBQTAZ-DYTPLTOFSA-N 507.552 7.593 50 1 KKGF CCOC(=O)[C@@]1(C(F)(F)P(=O)(OCC)OCC)C=C(C)NC(Nc2ccc(Cl)cc2Cl)=C1C#N 103950790 XKQCVOWLNHMSKC-HXUWFJFHSA-N 538.315 6.056 50 1 KKGF C[C@H](C/C=C/c1ccccc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@H]1C1=C[CH+]N=C1 150344271 IVNNBWVXJOFODI-ADDRSQERSA-O 827.954 5.487 50 1 KKGF biogenic,in-vitro O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)[C@@]4(CCC5(CCCC5)C4)[C@H]4C=C[C@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 150344714 FFNYFZBAMDWJPF-KHJCJKSOSA-N 867.055 5.732 50 1 KKGF biogenic,in-vitro CN(C(=O)[C@@H](Br)CBr)c1ccc2c(O)c(/N=N/c3cc(NC(=O)[C@H](Br)CBr)ccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1 150345339 VQHZGUHJQQJQMU-ZRJNINDCSA-N 880.182 5.672 50 1 KKGF COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)[C@H](N)CSSC[C@H](N)C(=O)N[C@H]1CCc3cc(OC)c(OC)c(OC)c3-c3ccc(SC)c(=O)cc31)CC2 150537740 CDYBDRXSYCFASQ-RACKDBBVSA-N 951.224 6.180 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3ccc([N+](=O)[O-])cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169313283 LDVOLIAUGKTWFX-DWNPJKEUSA-N 742.863 7.403 50 1 KKGF Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171154 QSVJJFGGTNOGQD-QQNWGBJXSA-N 618.920 5.762 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 253666779 QHBVSZZSIUMZBD-ZLXIZVFSSA-N 536.753 7.268 50 1 KKGF COc1ccc(C(=O)/C=C/c2ccc(C(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c(OC)c1 299858822 UMFRVKMKPVFWQF-FLCJDJTHSA-N 578.658 5.965 50 1 KKGF CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C 586919850 JFWLRGJMMNRZAS-OXQNJDRGSA-N 840.731 11.706 50 1 KKGF CCCC(=O)Nc1ccc(Cl)c(NC(=O)CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587050633 ZCKIATLYZSPJBP-UHFFFAOYSA-N 510.916 7.184 50 1 KKGF Cc1cc(Cl)cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587191744 WXZODEXBFCELGS-FOUJCUFCSA-N 610.239 7.557 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)[C@@H](C2)C3=O 587421288 KYASPJYHLCULJY-AVRWGWEMSA-N 513.333 5.125 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)c(F)c1 587557344 MVQJNROUGACGSV-NQIIRXRSSA-N 508.137 5.546 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587689156 QFPRJUQUTRGDDY-QMTYFTJSSA-N 519.886 6.274 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)c1 587689537 UDUNDJLGOFYJON-PWFNWSNSSA-N 577.878 5.586 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CCCCl)(c2ccccc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 962567482 GXYQRSUDHPSEBN-NDKRRWIDSA-N 587.503 7.258 50 1 KKGF O=C(c1ccc(Cl)c(Cl)c1)[C@H](Cl)[C@]1(c2ccc(Cl)c(Cl)c2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962648818 YJWFDTXCLIZZTP-WGFGNGDISA-N 630.830 8.781 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2)N1 962925288 YSWBGMSDORDDMS-GMAHTHKFSA-N 540.307 5.580 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCl)c1ccc2c(c1)CCCC(=O)N2 962990152 HQVUUOXQJRCZTK-WJOKGBTCSA-N 581.496 5.772 50 1 KKGF O=C(Nc1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1Cc2ccccc2[C@@]2(CCCC[C@H]2CNCCBr)N1 963020937 ODSKGUIDXDGYCU-VBHBFSRDSA-N 573.535 5.204 50 1 KKGF COC(=O)C(C)(C)c1ccc([C@]2(CCCCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 963137921 HKNOWIXSMPQJJY-AFMDSPMNSA-N 537.078 5.103 50 1 KKGF Cc1cc(F)c([C@@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1Br 963177065 JAQDFTYLVOUFEC-AEFFLSMTSA-N 559.579 5.806 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cc(Cl)ccc4Cl)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cc(Cl)ccc4Cl)cc23)cc1 1857546234 BNTKAWOVIFJCCP-UHFFFAOYSA-N 870.624 7.998 50 1 KKGF C[C@@](O)(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857571689 GOGISOZLIRIZSU-MRXNPFEDSA-N 533.359 7.150 50 1 KKGF C=C(C=C(C#N)C=C1N(C)c2ccc3ccccc3c2[C@]1(C)Cc1ccccc1)[C@@](C)(Cc1ccccc1)c1c(C)ccc2ccccc12 2356348074 YDHALBAMCCXLIR-NZCKGYRVSA-N 634.867 11.342 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@@]54C)[C@]21O 2356351170 RHSVFXXSLKPNNP-UHKVDTKLSA-N 793.193 8.730 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356358846 YNSRVGHCCFJBII-CSLGRNONSA-N 934.279 5.353 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@H](CC)C1)C3 2356365600 OPEBGPVYIOESDE-QCSHHUSQSA-N 800.946 5.168 50 1 KKGF C=C(C=CC=C(CO[C@H](CO)CCCCC)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)CCC=C(C)C 2356368694 MQEONIGUTYFMJG-AXHOWYSESA-N 600.881 6.936 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356445077 STYSUYBXEPXXKJ-KKVGFRBUSA-N 699.036 6.924 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356448849 RIIDLMUGVQJJLJ-QEMIFIMLSA-N 725.027 6.099 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356468595 JJRJGUZUBJCOQS-WMZQGXDJSA-N 714.101 7.032 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356595849 VMQGYWJVXZENSM-KZZFZNBUSA-N 948.298 6.872 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]2([C@H](C)O)C#C[C@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@@H](CCN4)Oc2cc(c(C(O)O)cc2O)C[C@@H]31 2356669015 JZPXAVBQURODFY-ADPKZGAXSA-N 900.262 5.555 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5C[C@H](O)C(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356823187 GJPNRCQZCZVKFP-ISPWBKERSA-N 899.186 10.753 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](Cc1ccccc1)C1=CC2=CN[C@H]1N 2356838526 MATAZTRFYLXIFL-KKJXPWFUSA-N 602.822 6.475 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 42875849 RZDVJJXLJLYIMX-WNCULLNHSA-N 585.034 5.071 50 1 KKGF CC(C)(C)OC(=O)NOc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 72136404 XTLVCBPHMQCFAN-JOCHJYFZSA-N 650.135 7.856 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 83924490 PVEFIGXLPBGZAX-LEFJKEGYSA-N 560.312 6.146 50 1 KKGF in-vitro O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc3oc(=O)[nH]c5cccc4c53)cc2c1)c1cc2ccccc2[nH]1 95579969 HKEUENFCQUDZKR-SFHVURJKSA-N 576.012 6.472 50 1 KKGF COc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)cc1 103185674 NYWDKZXYLQRHES-ZEQRLZLVSA-N 582.838 5.654 50 1 KKGF CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4C=[N+](C=C14)[C@@H](O3)[C@H](C#C[C@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O 150348985 RKDUOPZHTHCAQS-KEUGOTTPSA-N 914.227 7.705 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC[N+]3(O[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)CCN(CCNc4ccnc5cc(Cl)ccc45)CC3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169298160 HHHWRJDPBPXUJX-NXECMTGWSA-N 884.532 7.797 50 1 KKGF C=C1[C@@H](O[Si](CC)(CC)CC)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1C[C@@H]1C[C@H](OC(C)=O)C(C)=C([C@@H]1C)[C@@H](OC(C)=O)[C@@H]2OC(C)=O 195214203 BACJNCAAIGSKMU-CAFSNSEDSA-N 620.856 6.062 50 1 KKGF CC(C)[Si](Oc1ccc(C[C@H]2N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](CCc3ccccc3)C[C@@]2(C)C=O)cc1)(C(C)C)C(C)C 195465088 PFPUPXYWDOJOFU-MCTAPTLWSA-N 628.886 8.813 50 1 KKGF C[Si](C)(C)OC[C@H]1O[C@@H](O[Si](C)(C)C)[C@H](OC(=O)Cc2cn([Si](C)(C)C)c3ccccc23)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 238742494 XNWIAGFLIBXWND-VYYBUWSNSA-N 698.243 7.647 50 1 KKGF CC(C)=CCC[C@@](C)(O)[C@@H]1CC[C@@](C)([C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 238744712 GNYKSGURCLGHOD-KMJZPMASSA-N 571.637 7.018 50 1 KKGF CC(=O)OC[C@]12C[C@H]3O[C@]4(O[Si](C)(C)C)[C@@H](O[C@H](C)C[C@@]45N=C(N)CS5)O[C@@H]3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12CO[Si](C)(C)C 261160411 QSWOISMHTAQYAR-DYTDYQIWSA-N 805.196 6.770 50 1 KKGF COc1ccc(N2CCN(CC(=O)N/N=C/c3c4c(O)c5c(O)c(C)c6c(c5c3O)C(=O)[C@@](C)(O/C=C/[C@H](OC)[C@@H](C)[C@@H](OC(C)=O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C/C=C(/C)C(=O)N4)O6)CC2)cc1 299846518 BZAREVPOPIKYGF-LYUDJPJCSA-N 972.102 5.035 50 1 KKGF COc1cc(COc2ccc(C(=O)N/N=C/c3cc(Br)cc(Cl)c3O)cc2)cc(OC)c1OC 473144970 BAGIRKMZLDXSGD-KKMKTNMSSA-N 549.805 5.177 50 1 KKGF Cl[P@@]12=N[P@@]34=N[P@](Cl)(=NP(N5CCC6(CC5)OCCO6)(N5CCC6(CC5)OCCO6)=N1)Oc1ccccc1CN3CCCN4Cc1ccccc1O2 473235170 PABFCMWXUDTEQB-XUPPVJDGSA-N 817.529 9.133 50 1 KKGF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587069303 HULBYDDSENIQRP-SECBINFHSA-N 503.718 8.013 50 1 KKGF CCCn1cc2c(C(F)(F)F)cc(SCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)nc2n1 587115344 KKYNTQKYZIDXHQ-UHFFFAOYSA-N 596.367 8.449 50 1 KKGF Cc1ccc(/C=C(\C#N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 587187321 DSUIZJOPRBNOFN-VCHYOVAHSA-N 513.509 6.218 50 1 KKGF O=CC(C=O)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587261743 HLFFMEUZCHYYCB-UHFFFAOYSA-N 514.226 6.039 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1-c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587357415 ICYBPSPGOFFGNH-UHFFFAOYSA-N 518.953 6.579 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587605452 CQAQHKCVRANGHF-YYFXGUOYSA-N 558.614 7.087 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(F)(F)F)cc1 587712880 LZPFSQIKEVAGSM-ZLOXQWCVSA-N 529.803 7.031 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)ccc2F)N1 587719538 PVGLDTJGZIGIAT-XYZCENFISA-N 510.014 5.663 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C(C)(C)C 587851023 UHFXVQKUAYCCRB-PDBZVODSSA-N 788.867 11.177 50 1 KKGF COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)O[C@@H]2CCC[C@]4(C2)OOC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 621476397 NTXXGUGMTBSXET-CVSCNXMKSA-N 699.244 8.549 50 1 KKGF O=C(CN1c2ccccc2Sc2ccccc21)NNC(=Nc1ccccc1)SC[C@]1(c2ccc(Cl)cc2)c2ccccc2C[C@@H]2CN(c3ccccc3)CCN21 962639727 LXROIIRPPXIQRA-IMISZUIDSA-N 793.462 9.675 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 962929778 UCCXERZFOREDHN-YTMVLYRLSA-N 558.432 6.837 50 1 KKGF C=C(C)[C@]1([C@H](C)O[Si](C)(C)C(C)(C)C)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963018843 LNPBEMNEYNIOCB-VSBMSIFKSA-N 553.175 7.155 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CBr)(c2cc(F)c(F)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045534 XLBCYTXXDSQLJT-WXGMZPBLSA-N 658.417 7.281 50 1 KKGF CC(=O)NCCc1cc([C@@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 963185824 JAITZOKTCZKBLS-NHZFLZHXSA-N 617.073 5.840 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](C)(c2ccc(COCCl)cc2)N1C(C)=O 963315932 IBXXZJCQHXEDNO-QOVAEWSBSA-N 752.242 5.466 50 1 KKGF CCOC(C)(C)/C=C(\C#N)C(=O)[C@@H]1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 1772587888 BKURGSFMXJOOSC-WDYPTSIOSA-N 568.653 6.572 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)C[C@@H](CCCO)[C@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356301586 WYRFCLAKMXVTBO-YKPJDKEKSA-N 933.154 9.489 50 1 KKGF CNCc1ccc(CO)c([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC4(CCCCC4)[C@]34NC(=N)NC[C@@H]24)c1 2356367615 GBKYHGURYHAHHU-XJQLLUAXSA-N 763.127 6.602 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@H]2O)O3)c1O 2356370817 UHANFPKXFLDAAG-IDPODWQVSA-N 768.991 7.544 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@]35C 2356371603 MIVUNPKOOUMSLD-NABULOFNSA-N 936.287 6.524 50 1 KKGF CC1=CC(=O)O[C@H]2C[C@@H](CC[C@H](C)C=CC=CCC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 2356385453 ZBKZGKOPNVIOTD-QBSHVYGLSA-N 541.110 5.222 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356462173 ILOJWFOJTRYPKF-DAZFWGPBSA-N 837.199 8.123 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSCC2(CCCC[C@@H](O)C1)CCCC2 2356487892 PUSINBLSNZZADU-QEPWACIESA-N 993.434 11.965 50 1 KKGF C=C(CO)OC(=O)[C@@H]1[C@H](OC(=O)C(=CCCC(=CCCC(C)=CCOC(C)=O)COC(C)=O)CCC(=C)C(C)C)C(C=O)=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@@H]21 2356497628 TZGZNDAKBYDMIJ-PFRLLMPSSA-N 778.936 7.005 50 1 KKGF CN[C@@H]1CSSC[C@](C)(O)CC[C@H]([C@H](C[C@H](OC(=O)[C@]23CCCC[C@@H]2CCC(=O)N3)C2([C@@H]3CC[C@@H]4CCOc5c(O)ccc3c54)CCNCC2)OC(C)=O)CC[C@H]1O 2356561212 UBSZCXOFLKNAPA-DKKZXZOHSA-N 846.166 5.850 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356770923 LFFRSPWFUDRLRT-CRLCUZEDSA-N 882.158 8.639 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356817077 DHDUIYFPPVNIEY-UOSRCANWSA-N 912.052 5.702 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSC2(CCCCC2)C2=C(N)NCC=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]2(C)C(=O)O[C@H]1C3 2356827082 HNCGYBBFPHBQOW-UCJABKOWSA-N 734.941 5.236 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@@H](O)[C@@H](CCC1)CC21CCCC1 2356843644 NNWBGJMDPOEAPP-VDFMVAMLSA-N 856.208 7.259 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)CO)[C@]1(C)CC2 40538077 ZGPUQTWSPUOZQF-FJKHHRBPSA-N 521.698 5.351 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(OC)cc1)C(=O)Nc1ccc(C)cc1-2 43523651 AFTUJFMZNMVEHV-GGBVODQZSA-N 537.280 6.878 50 1 KKGF CCCCCCCCCC[C@@H](Br)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F 44417939 RXSAZELNSIRDKZ-JOCHJYFZSA-N 567.479 5.581 50 1 KKGF COc1cc(/C=N/NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)ccc1O 51092434 DFDWLVMBHSLYFX-OXUBWTJQSA-N 524.191 6.322 50 1 KKGF CN(C)c1ccc(/C=N/NC(=O)c2ccc(Nc3ccccc3C(=O)N/N=C/c3ccc(N(C)C)cc3)cc2)cc1 64527724 AXHBAEZOZWQOLK-WXGDAXOSSA-N 547.663 5.090 50 1 KKGF Cc1cc(OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)cc1Cl 103185694 CFLZLIJXWYUYLO-PKTZIBPZSA-N 587.257 6.299 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)c1 103195492 NCVDBHXXNOWBEZ-DHIUTWEWSA-N 552.812 5.646 50 1 KKGF CNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 137762196 UHTPRMJPEJTZFE-BZEDYAROSA-N 647.850 6.404 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C(=O)O[C@@H]1[C@H]3[C@H]1C=C[C@H]4[C@H](O)C1 150345618 JRDXIVUQMAFEJK-ALHYWTBMSA-O 860.007 5.646 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@]13CC[C@@H](C[C@H]1O)[C@H](CC(=O)CC2)O[C@H]1N[C@@H](CCCO)[C@H](CSSC3)C[C@H]2c3c1cc(CO)c(NCC(C)=O)c3CC[C@H]2CO 150347634 OXBOHMCXVDKDJZ-GGNOOFJDSA-N 1019.380 8.974 50 1 KKGF biogenic,in-vitro Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2ccccc2)C2=C1C(=O)CC(C)(C)C2 169310094 YZDIEMQCWAPOCJ-MHZLTWQESA-N 515.621 5.307 50 1 KKGF C[C@]12CC[C@@H]3[C@@H](CN=C4[C@@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)Nc1cc(C(F)(F)F)ccc1C(F)(F)F 169715230 MYYLULRVFXQYTI-RIQVVBSOSA-N 562.982 7.153 50 1 KKGF C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@]21C 195348141 PZXHPUCNJAGWRH-FBKYFJSSSA-N 540.585 6.963 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C[C@@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NC(C)(C)C)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 254088565 NMDBNXURSUODAA-CESHIQNMSA-N 675.904 6.799 50 1 KKGF N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 299835726 LJBBYGCIPITLFX-KGENOOAVSA-N 525.634 6.518 50 1 KKGF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586964061 TZFHZURJYWPOJI-NSHDSACASA-N 505.332 7.030 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c21 587009400 DFYWZXHEYWNPED-XIFFEERXSA-N 717.270 7.943 50 1 KKGF CC(=O)N[C@@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587114143 WMGPXZXSWXTUBM-KRWDZBQOSA-N 552.285 7.401 50 1 KKGF FC(F)(F)c1nc2ccncc2cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587116086 MXDDQHRFYWLBKH-UHFFFAOYSA-N 519.215 7.612 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587325702 GVTXMZBHFUFKQV-RYCFQHDISA-N 586.063 6.230 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587542594 HOTBRQBTEXPMPP-ZXVLSZCLSA-N 525.944 5.408 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 587544022 DHXPBJCRFJELJM-RPLLCQBOSA-N 527.926 6.914 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 587672788 HWSOLLQRZRSDID-GYCJOSAFSA-N 519.252 6.340 50 1 KKGF CC[C@@H](C)C(=O)[C@@H]1C(=O)[C@]2(CC=C(C)C)OC(=O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)C/C=C/C(C)(C)OO)C2=O 653688565 VLNODZLUDIWYDA-XKSRNDNWSA-N 598.821 7.948 50 1 KKGF COc1ccc2c(c1)[C@](CCCCCCl)(c1ccccc1I)N(C(C)C)CC2 962094765 XESSFYQRXHZEPV-DEOSSOPVSA-N 511.875 6.609 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2cc(Br)sc2Br)N1C(=O)c1ccc(Cl)cc1 963002698 DIPBXVDFVIELFZ-KOSHJBKYSA-N 643.184 7.042 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(F)cc2Br)N1 963183188 NYGLWWKXXLEZCD-NVXWUHKLSA-N 545.552 5.498 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@]2(CCCC[C@H]2CNCCBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963205720 XQQXMBLDTPRXDU-WGXALEHPSA-N 593.518 5.910 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@]([C@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948297 RXEHQZUXHDLCGX-WCYGUQJXSA-N 710.240 6.072 50 1 KKGF O=C(Cc1cc(O)c(O)c(O)c1)NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857596583 HEVFERDFJJLBHR-UHFFFAOYSA-O 528.609 5.017 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C[C@@H](CO)CCCO)c(=O)oc3cc1O2 2356293572 IUFWCOHHMYFIKU-CRDIWJMVSA-N 761.963 5.118 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@@H]1C#CCc5c(cc(OC6CCCC6)c(O)c5OC)[C@@H](O2)[C@@H](O)[C@H]31)C4 2356353003 GBZYPCOFHCQPPY-FNZWHKAZSA-N 700.919 8.451 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356389682 DITHSGNSWNYCTL-XEXLMPDTSA-N 803.141 7.739 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)[C@@H]2O)COCC#CCC(C)=CCC1 2356450577 APOAALRBVVAWAJ-MPJBSJSCSA-N 522.726 5.382 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@@H]1O2)C5)CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356491350 IOPFBTIGEPHUEN-GZONDGSJSA-N 990.257 9.723 50 1 KKGF CNCC[C@]1(O)CCC(=C(C)C=O)[C@H](CCCO)[C@]12CC[C@@H](C(=CC=CC(CCC=C(C)C)=C1CCCCC1)CO)[C@H]2O 2356586801 OMLRLZNYCQVLPV-NSDPJUTJSA-N 597.881 6.264 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@H]2CSS[C@@H]5O)C1=O 2356609809 NLMZLTIPCIPBAX-XLGNMLMVSA-N 840.158 6.317 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@@H](C)O)SSCNc3cc(ccn3)C2)CCCC1 2356649592 QXKMNBCFGXSGMG-YKLVTOSLSA-N 772.090 9.153 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C4([C@@H](CO)CCO)CCCCC4)c(=O)oc3cc1O2 2356657626 OIBVTPRLRHZONI-PNBNKPSESA-N 859.124 5.833 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6cc(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O7)C4)N[C@@H](N)C=C5)C1)C2 2356841008 NDSKBNQGXGSPGV-KSSNXZNQSA-N 886.149 8.482 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC[C@@H](c2cc(O)c(Oc3cccc(O)c3)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356865589 VKMVBSAWDBNVAM-MWZYUOISSA-N 613.798 7.092 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356871244 XYZDWBGJOIUQCG-YSLDSNRYSA-N 852.132 8.017 50 1 KKGF C=C/C=C\CC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CC/C=C(C)/C(C)=C/C=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@H]2CC[C@@]1(C)O 257456652 JPBOABGEVHVPNM-GVEJKQEQSA-N 656.901 6.476 50 3 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Cl)C(C)(C)O[C@]1(C[C@@H]1C(C)(C)[C@H](Cl)CC[C@@]1(C)O)C2=O 1551806 XGGIVXWAYKZBIV-PBCSEHLDSA-N 547.903 5.493 50 1 KKGF in-vitro CC(C)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)NNC(=S)Nc1ccccc1 12971217 BROKHWDLQSGCDE-XMMPIXPASA-N 501.681 5.878 50 1 KKGF COC(=O)c1ccc(CNC(=O)c2c(SSc3c(C(=O)NCc4ccc(C(=O)OC)cc4)c4ccccc4n3C)n(C)c3ccccc23)cc1 27725788 JZYBVZISBBJZHT-UHFFFAOYSA-N 706.846 6.903 50 1 KKGF CCCC[C@H]1CCCC[C@H](C)[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCCCl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 58582038 XZVMPRPAUUDNLD-YXTQZPCGSA-N 619.283 9.449 50 1 KKGF CC(=O)O[C@@H]1C[C@@H]2CC3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)O)[C@@H]21)OOC1(CCCC[C@@H]1C)OO3 58583701 CGOMIUHGMLLBAL-AIEYEIPNSA-N 576.771 7.201 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](/C(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)=N\OC(=O)N(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95582334 UCYNVBBPTPGPGJ-DRKSGYBNSA-N 662.821 5.932 50 1 KKGF Cl[C@@H](Cn1ncc2c(NCc3ccc(Br)cc3)ncnc21)c1ccc(Br)cc1 96272495 FRNGTWDSALHYQF-SFHVURJKSA-N 521.644 5.944 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC2=O)[C@H]2C#CC[C@@H]3CC[C@@]4(CCC[C@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 150348684 GZOCAEKJTWXDLO-UVMLJBMBSA-N 915.280 8.207 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)[C@@H]2CCCCN2)C1 169852221 JEJIRIPSVOBZDX-ARXZOCQRSA-N 517.915 7.929 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1 170069474 QTTFTVPTSUAFOG-FLBADVGZSA-N 583.805 5.796 50 1 KKGF C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](CCCCO[Si](C)(C)C(C)(C)C)CN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 170186823 RWDIOWWAMTWMQC-DLFZDVPBSA-N 660.919 8.751 50 1 KKGF NNC(=O)c1ccc2nc(C(Cc3ccccc3Br)Cc3ccccc3Br)[nH]c2c1 586977551 XSOVNYYCDUUNBM-UHFFFAOYSA-N 528.248 5.260 50 1 KKGF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587222510 YTVOFAPLRPQGQT-GOSISDBHSA-N 535.535 7.310 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341340 WYQUWANZOAJLSA-WRIJNXMUSA-N 753.235 6.720 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3cccc(Br)c3)c2c1 587618815 WDYGOXWIWZVJBX-UHFFFAOYSA-N 550.818 6.054 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](C)Br)N1 587670675 MILSWJAJYSNSLY-YRUZYCQGSA-N 506.051 5.912 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587688687 NDCKMSAGFKBAAN-WIDSHULWSA-N 532.837 5.874 50 1 KKGF COc1cc([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587720377 SUBWWKRTCIPWQO-APBUJDDRSA-N 509.160 5.371 50 1 KKGF CCCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)OCC[C@]3(CCC(=O)NCCCN4CCCC4=O)OOC4(O3)C3CC5CC(C3)CC4C5)CCCCC2)nn1 621431828 PGNMARIWMRNWRY-NFSUHILTSA-N 919.027 7.616 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](c1c[nH]c3ccccc13)([C@H](C)Cl)N2C(=O)OC(C)(C)C 962707816 KYVRCDPPSPMXKU-CKZDFEDFSA-N 513.009 5.829 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1cc(C)n(C[C@H]3COc4ccccc4O3)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963805680 FFGJQHILRLYVEF-RSUXDYMJSA-N 654.163 6.193 50 1 KKGF N#Cc1c[nH]c2cc(OC[C@@H](O)CO)c(NC(=O)C3CSSC3)cc2c1=Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 1857578837 CRSYKTDYLTZPGM-QFIPXVFZSA-N 641.146 5.325 50 1 KKGF Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(F)cc3)S/C2=N\NC(=O)c2cc3ccccc3oc2=O)c1 1857581040 PZKNPBBKRGVHOW-ICEIDMMXSA-N 513.550 5.371 50 1 KKGF COc1ccc(N2C(=O)c3ccccc3[C@H](C=NNC(=O)c3sc4ccccc4c3Cl)C2=O)cc1OC 1857609362 BGXOVHXECPYLJO-IBGZPJMESA-N 533.993 5.258 50 1 KKGF CCC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](Cc2cn([C@H](c3nc(C(=O)OC)co3)[C@H](C)CC)nn2)C1 1857611722 UWYHPPTWJXOTGU-WMCBMGDNSA-N 532.802 6.838 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]21C 1857624112 XRRHDGKBIMJRKD-DAHIUUTMSA-N 546.384 6.503 50 1 KKGF COc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1[C@H](CN=C=S)c1ccc(C)cc1 1911581556 IVVPESSFKIKVAH-LFOKJVLGSA-N 560.672 5.764 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356292461 HMIPWTRJAHFUMS-QFNFEOJLSA-N 821.123 6.558 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C3CCCCC3)[C@]21O 2356352858 CNSRQYAMZJJCGD-FGFKTCJRSA-N 982.455 9.700 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2C[C@H](CCO)CO3)CCNCC1)[C@@H]1CC[C@H](O)[C@@H](NCCCC(C)C)CSSC[C@](C)(O)CC1 2356366188 BSIAWCWEKPJUHQ-PGRUSVQESA-N 934.316 6.389 50 1 KKGF C[C@]12CCC(=NNC(=O)c3ccncc3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=NNC(=O)c3ccncc3)CC[C@H]12 2356688767 LTANJFVUAIWDNA-GVIFZUCESA-N 526.685 5.391 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC2(CCCC2)[C@@H](c2cc(O)c(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356804084 AAPQGHRKVYUSPM-AMBDWCSGSA-N 575.793 6.612 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc3c(c2)[C@@](CN2C=CNC2)(CCN3)SSC1 2356810783 BBJZBHARVQKIHK-UNFOWLHKSA-N 620.841 6.179 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C[C@]2(O)[C@H](O)[C@H](Oc3cccc4c3C(=O)[C@@]3(C(O)=CC(Cc5cccc(CO)c5)=C[C@@H]3C4=O)[C@H](CCCO)SSCNC3=CC1=CCN3)O[C@@H](CO)[C@H]2O 2356856582 SBLPSYDJDBAYIW-JKONYMOJSA-N 985.231 5.504 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@H]43 2356866580 WFXODNSJDFEBJV-HIOTUYBVSA-N 915.188 5.361 50 1 KKGF Cc1cccc2c1c(C(=O)Nc1ccccc1)c(SSc1c(C(=O)Nc3ccccc3)c3c(C)cccc3n1C)n2C 14944316 LDDNNZKKMXSXPS-UHFFFAOYSA-N 590.774 8.591 50 1 KKGF CC(C)(C)OC(=O)NNC(=O)CCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](c5ccc(=O)oc5)CC[C@]4(O)[C@@H]3CC[C@@H]2C1 27632284 RWXKLXRZCMKFHP-HMRHOOLUSA-N 600.753 5.129 50 1 KKGF COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(ccc(OC)c3Oc3c(OC)c(OC)cc4c3[C@@H](C2)[N+](C)(CCl)CC4)CC[N+]1(C)CCl 85493553 UFXNUZKIUPEJCX-FRLPWZOJSA-N 721.722 8.585 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@H](CCCCCCC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 95607540 VKNBVEHDZHWVHW-XSMIKYKNSA-N 632.791 6.494 50 1 KKGF COc1ccccc1COC(=O)C[C@H](C)c1ccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 103181944 DNMOOXSSVAYTFW-BUQQGLBQSA-N 566.691 6.519 50 1 KKGF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CBr)ccc21 587319827 DCOVSHBTYCPCLV-UHSQPCAPSA-N 529.361 6.273 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)CC2=O 587463081 VVNQTQYWUWWVGZ-LJQANCHMSA-N 522.155 6.382 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)(C(Br)Br)N1 587670163 IGFQHBGKNKRVMY-HUTHGQBESA-N 570.920 6.244 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 587673159 KXWVIPKASMNSIY-SBKAZYGRSA-N 549.065 6.723 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)ccc(F)c2Cl)N1 587723159 WEUJYZXBRLESNJ-WNWIJWBNSA-N 500.008 6.207 50 1 KKGF O=C(CC[C@]1(CCOC(=O)Nc2cc(Cl)ccc2Cl)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O 621429216 FVLASELMUCQBFC-XSLYCHEUSA-N 624.562 5.668 50 1 KKGF CC1CC2CC(C)CC(C1)C21OO[C@@](CCC(=O)NCCCN2CCCC2=O)([C@@H](F)COC(=O)Nc2cc(Cl)ccc2Cl)O1 621429249 PVVYIEOOENQSPZ-HQRIGOQPSA-N 658.595 6.252 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962703432 CSVDPEQGMXMDIQ-IVTHGCCQSA-N 764.667 7.693 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CBr)(c2ccc(F)c(F)c2Br)N1C(C)=O 963314996 AJQBEPGQTJHPDC-ITAFUGMPSA-N 867.516 6.169 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2cc(F)ccc2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364672 GNDCYLZKGZETIW-BZKUTMRRSA-N 695.379 7.281 50 1 KKGF Cc1cc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)c(C)cc1Br 963447604 LGKGAJUWJPXOCA-RBJSKKJNSA-N 551.868 6.181 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(c3ccc(Cl)cc3)[C@@H](Br)CC(=O)O)nc(Cl)nc21 963913809 DPQHNAMGFHUOIF-RXFWQSSRSA-N 605.320 5.964 50 1 KKGF N#Cc1c(-n2cc(CCCCl)nn2)c2ccc(-n3cc(CCCCl)nn3)cc2n2c1nc1ccccc12 1857546345 BKZXPZAEXDZIJY-UHFFFAOYSA-N 530.423 5.017 50 1 KKGF C[C@](O)(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857553645 XQXFTYIHFUKZGT-INIZCTEOSA-N 513.428 5.526 50 1 KKGF COc1ccc(CCNC(=O)[C@@H]2CCC[C@H]2[C@@H]2CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O2)cc1 1857615153 CJOFPADWJVDHFG-RICZTXDTSA-N 622.847 5.918 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCCCCCCCCCCOC(=O)[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857767684 SAESPKJGYLWUIL-HUNFHJPKSA-N 734.924 7.203 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@@H]1CCC[C@@H](C)C1 2356366098 AAOVQVCDKSYKLO-MTLLEYCFSA-N 808.113 6.381 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356417209 UOMOKZRODUDDTI-DRIOXIQHSA-N 971.292 9.686 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@@H]2CC[C@@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356639532 UMTFJRSOKDQKEG-FJOVFNDFSA-N 692.900 6.583 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356742845 GFVVQXKYOUSWEY-FVDKRMCQSA-N 799.106 5.824 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](C)(C)Cc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC 1652331 TVEMWUHYCGTRLW-FQEVSTJZSA-O 580.061 5.852 50 1 KKGF CCCC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@H](CCCC)NC(=O)c1ccccc1 36176364 FNQYNLSBEYGVCO-UIOOFZCWSA-N 536.713 6.086 50 1 KKGF COc1cc(N[C@H](C)CCCNC2CCC3(CC2)OO[C@@H]2CCC(C(C)C)=C[C@H]2O3)c2ncccc2c1 42891886 OZMCBLMXTZPNTB-PZQHLHBPSA-N 509.691 6.144 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(CC)c1)C(=O)Nc1ccc(C)cc1-2 44052782 YNIZHLBAPBPYQO-MYQGXGEKSA-N 535.308 7.432 50 1 KKGF CC(=O)O[C@@H]1C[C@@H]2CC3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(N)=O)[C@@H]21)OOC1(CCCC[C@@H]1C)OO3 58590629 VZZJOVZVJPTEMN-AIEYEIPNSA-N 575.787 6.601 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)OC[C@@H]([C@H]1C/N=C(\N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 85626459 SMBRCTKINONITE-WGWVWGEFSA-N 815.115 6.244 50 1 KKGF biogenic,in-vitro O=C1c2ccccc2C(=O)[C@@H]2NC(CCCCCSSCCCCCC3=N[C@H]4C(=O)c5ccccc5C(=O)[C@@H]4N3)=N[C@H]12 102986002 UDMROSGADNIYNT-HPQIJTKRSA-N 602.782 5.125 50 1 KKGF CCCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 118933964 JECQBHPHBSTJDJ-YOIORKOPSA-N 591.528 6.220 50 1 KKGF C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(CC=C)cc1)C(C)(C)C 150611567 JCWVDYWQTZIUIJ-QWZYCTBNSA-N 770.810 5.369 50 1 KKGF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3[C@H](Sc4ccc(NC(=O)NCCCl)cc4)CC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253645602 LJHNAANEAMCCMK-SFCRXUESSA-N 543.173 6.855 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 299805968 KVAJQTDLSYOZKU-OLHQLQGOSA-N 535.607 7.751 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCCCCC#CCO[C@@H]3CCCCO3)nc2c1 586909662 HSSYEXIGMWBIIC-IBGZPJMESA-N 531.385 7.632 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587054185 CVWHJNDAEYFQCI-GHXNOFRVSA-N 511.722 6.755 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191225 WEVUDDJSQZBMEN-IJZPCOORSA-N 793.066 7.595 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2c(CCl)cc(Br)cc2c1=O 587539580 FIUFBZPSOPIBLG-DVECYGJZSA-N 513.727 5.703 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 587672893 IPRUPHQSXHTFKG-SBKAZYGRSA-N 549.065 6.723 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)cc2F)N1 587714896 GKQAYCBUKNHGBF-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 587724042 YXLXISHRZJBGRH-XYZCENFISA-N 531.569 6.313 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587854489 CATFPIVMLRGWJA-BJLXPSRBSA-N 604.029 7.829 50 1 KKGF C[C@@]1([C@@H](Cl)C(=O)Nc2ccccc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962568275 FEPRWCUFPGXGBZ-NCXRXOCASA-N 582.056 5.803 50 1 KKGF O=C(CCl)c1c[nH]c([C@@H]2c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 962712018 LYVNLYHIQXXODV-NYDCQLBNSA-N 633.095 5.642 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCBr)(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 963027651 SYFJMBLNOPVBRK-YIXXDRMTSA-N 555.831 6.141 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2ccc(I)c(C(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963081827 UQMAJMDNGFBORP-VWMWMKPNSA-N 948.463 9.905 50 1 KKGF C[C@@]1([C@H](Br)Cc2cccc(Cl)c2F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832261 MNFHQWLNPRLTJB-SQHAQQRYSA-N 527.865 6.907 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(C)[C@H](Cl)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(Cl)nc21 963915826 QEABVMFWUWSLHC-QFQXNSOFSA-N 632.436 7.932 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(C(F)(F)F)cn2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938794 QICNIIGQODKOFX-PTBLFGFCSA-N 683.218 5.720 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)C(Br)Br)CC[C@]54C)[C@H]2[C@H]1OC3 1857760870 MAWJPVOMUKJDJS-ZCPBBPPYSA-N 625.530 8.682 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356362790 HOBVUZFRWOWIKQ-OECGSKJTSA-N 873.185 5.058 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@@]13CC[C@@H](C[C@@H]1O)[C@@H](CC(=O)CC2)O[C@H]1N[C@H](CCCO)[C@@H](CSSC3)C[C@@H](CCO)c2cc(NCC(C)=O)c(CO)cc21 2356370901 DZIDHAUNYUWZSY-ODTRUSMZSA-N 993.345 8.802 50 1 KKGF CNCCOc1cc2c(cc1O)CSSC[C@@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O 2356425461 FAFYACFYDUJMIS-UPULCKDPSA-N 595.739 5.687 50 1 KKGF C[C@H](O)CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2 2356478915 YACCWXCUZWEBRG-RZJIYTMPSA-N 864.143 7.927 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@@]12O 2356484486 WODQCNNHFKTBGP-NLYYKBRTSA-N 968.425 7.941 50 1 KKGF COC(=O)CCCC#C[C@H](Br)[C@H](O)CCCCC=C(Br)C=CBr 2356497855 AYDCADNHQBXBAP-JKSUJKDBSA-N 515.080 5.205 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356582400 HDIMWZVZIYCEBP-HKLVHMMZSA-N 827.160 6.522 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C6=C7CCCC8(CCCC8)[C@@H]7C7=C8[C@H](CCC7)C[C@H]5[C@H](O)[C@H]86)[C@]4(O)C3=CC(=O)[C@@H]12 2356694918 MUYMDMCGAMNAON-YKMTXYRLSA-N 886.322 8.876 50 1 KKGF CC(C=O)=C[C@H](C)CC=C[C@@H]1[C@@H]2O[C@]2(C)[C@H](C)[C@@H]2[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@]12c1ccc[nH]1 2356718394 UXYUXCFJWUXAND-XQTGFRMZSA-N 511.666 5.242 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@H]2CCCC[C@H]2CNC)Cc2cccc(c2)C1 2356723376 GOIXWAYFKKSJPF-QJJCPSDYSA-N 966.358 6.665 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356818467 DUGLNGJLZBMMFZ-NFYUMHDBSA-N 743.992 7.106 50 1 KKGF COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 38361354 HUCRVNGBGBLRQA-PEGNYDMXSA-N 505.699 6.235 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 72173540 QELWPTSXLQPMLY-IRILJHRSSA-N 623.318 9.682 50 1 KKGF COC(=O)[C@H]1CC[C@@H](I)[C@H]2[C@@H]1[C@H](C(=O)OC)[C@H](c1ccc(Cl)cc1)N2c1ccccc1 95571887 FXYJOJQYZIWFDB-WVYKEMLSSA-N 553.824 5.062 50 1 KKGF COC(=O)[C@@H](C)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 103233631 YTTQIMNAQVGBSE-HFAKQFQDSA-N 576.778 5.884 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)C/N=C(\N)N[C@@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@H](O)C1 150348601 TXMBBWNIZPCFPJ-UNCLXHPFSA-N 965.380 10.974 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348706 DLAXYVHSVZVOSS-LZKJUZKDSA-N 901.253 7.896 50 1 KKGF biogenic,in-vitro CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3cc(Br)ccc3O)ccc21 299861077 HRXXGIVGCSLKMO-XODNFHPESA-N 546.252 6.652 50 1 KKGF Cc1cn(-c2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cn1 587324113 WCIYHBPMCJPGEH-AHWVRZQESA-N 507.359 5.675 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)cc1 587538067 MXQSKKMOPMWYGY-NAKRPHOHSA-N 517.375 6.223 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587688307 KYZHLFVRDFTVQI-QFDBLCPBSA-N 562.266 6.178 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3oc-2c(Br)c1=O 587897181 WEOZBQZMFDMGEW-UHFFFAOYSA-N 866.165 9.008 50 1 KKGF CC(C)(N1C(=O)c2ccccc2C1=O)[C@@]1(CCl)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962564799 BFZKNSQFGSKXIJ-JQMWFGOGSA-N 636.104 5.851 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCl)(c1cccc(Br)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670050 BXGJKQQGRWNYHR-HHHXNRCGSA-N 596.871 7.446 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CBr)c3ccc(-c4ccccc4)cc3)c(O)c2C(=O)O1 962974894 UDBSJYTWRMYETD-LUJUUPEVSA-N 660.948 6.604 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 963225233 CXCWNGIHCCCIBR-RMDSEJHCSA-N 594.709 7.181 50 1 KKGF CC[C@H](Br)C(=O)Oc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN(C)[C@H]4Cc1ccc(cc1)Oc1cc(ccc1OC)C[C@@H]3N(C)CC2 1772652222 BUUOYVAGXISPLK-CPCREDONSA-N 757.722 8.233 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(SC)cc2)nn1 1857636107 IKEZETJFWFIKJI-XODOALFESA-N 535.754 6.796 50 1 KKGF CCC[C@@H](NC(=O)/C(C#N)=C/c1ccc2cccc(Cl)c2n1)c1ccc(OCCN2CCOCC2)cc1 1857764279 BXEUMBAQCNZQHQ-RCUDSALRSA-N 519.045 5.164 50 1 KKGF C[C@H](O)C[C@@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356299420 CSOVFIRORFSVQM-ILWREYKXSA-N 952.296 10.815 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356350168 WBWNEZYNFAENKJ-SWGRSUSFSA-N 829.094 8.743 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@H](C)O 2356351906 HQLOGJHLODEXRU-OGOMGFKASA-N 951.398 6.854 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@H]5[C@@H](CO4)C3)CCCCC1)CC[C@H](O)CC(=O)CC2 2356354868 BMTVKEOGDNRFTC-KRPGBJPPSA-N 815.115 6.299 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCCC2)c1O 2356670777 BKKSWFKHTZCPGF-MIXOKDLBSA-N 678.913 8.913 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@H](CO)C2=CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 2356752609 CJCWTBBBFFKQTA-LSSURBDDSA-N 603.635 5.166 50 1 KKGF C=C1[C@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(=N)O)C=CC=C[C@@H](C)[C@@H](C(C)=CC=CC[C@]2(O)CC(=O)O[C@H](CC)[C@@H]2C)OC(=O)CC[C@H]1OO 2356798272 PBFFCVHRTZVSSP-RXLITKEVSA-N 633.779 5.351 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SS[C@H]1NC2=C4C5=C(CC[C@@H]6CC[C@H](c7cccc1c74)[C@@]56C[C@]1(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]1O)CN2 2356820282 FIYLSZJOWFLFCY-VMCISHKTSA-N 947.141 5.418 50 1 KKGF C[C@H](CC=Cc1ccccc1CCCNC1CCCC1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356831556 JQGHHYOFBOSHOK-PITZLNJJSA-N 997.202 6.374 50 1 KKGF C[C@H](NC(=O)c1ccc(O[P@@](=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95550071 KEOOLQDMCOPPKK-FWRDFTIESA-N 750.229 7.696 50 1 KKGF CC1(C)OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cnc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c2O1 96908090 YYIFAUKLYIQTFY-UHFFFAOYSA-N 715.814 8.715 50 1 KKGF COc1cc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc(OC)c1OC 98082868 OXLDFCGTWJAVBF-XNRNLACWSA-N 593.656 5.154 50 1 KKGF O=C(NC(=O)N(SSNc1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1)c1c(F)cccc1F 103200633 VMVVDHVXCYILGL-UHFFFAOYSA-N 567.483 7.682 50 1 KKGF C=C(CC[C@H](O)[C@](C)(O)CCC=C(C)C)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 140300889 DGGUAYSXQZKRPV-CIXNMJELSA-N 571.637 6.778 50 1 KKGF CCN(CC)c1ccc([C@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 150586852 FUMKSAWDQMOONL-BAEGBANDSA-N 817.999 10.037 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC#Cc3ccc(C#CCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309798 JBBXAQOMVTYUIY-XKRNXCGPSA-N 718.884 6.839 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCC3)CNC2=O)cc1Cl 169371997 ZOLUFDDEWAHRJM-FNRHPQSPSA-N 731.714 5.859 50 1 KKGF N#CC1=C(c2ccc(OC(F)F)cc2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 221815315 WEZDTOOCZWOCMC-JOCHJYFZSA-N 534.403 6.264 50 1 KKGF C=C(CCCC(C)(C)OC(=O)CCl)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 299823766 UPLCUOLYACCTIC-LWXWOMNKSA-N 537.225 7.290 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)[C@H]1c1ccc(F)cc1 587319251 AWVAZFCYQQJCLG-NYDCQLBNSA-N 600.440 7.013 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1ccccc1 587327321 PCELICMIEFYAIQ-WNJJXGMVSA-N 518.972 5.827 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)N1 587674139 TXFSEYXFGKQHAF-BSEYFRJRSA-N 501.237 6.332 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587687460 GUCJOPHFXULACI-PLZPTFKGSA-N 500.839 6.473 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](OC(=O)CCl)[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 653726413 XOISDXOOPFKPPH-GNKHBCFJSA-N 714.815 9.016 50 1 KKGF COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)C(C)(C)/C(=N/NC(N)=O)CC2 653729218 HLXVNSXZZFVZLJ-PPFNPFNJSA-N 586.118 5.056 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(CCCCCCl)c1cccc(I)c1 962397617 JXFNZUVMCDORLC-DEOSSOPVSA-N 538.926 6.792 50 1 KKGF O=CC1=COc2c(ccc3ccccc23)[C@@]12c1ncccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962567420 GOVPKHQKRYTCOF-WECIHKQLSA-N 594.623 6.214 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1cnn(-c3ccccc3)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962713103 QKAQGUBGXVNEEI-GDLZYMKVSA-N 614.462 6.554 50 1 KKGF C[C@]1(c2cccc(N3Cc4ccccc4C3=NC(=O)CCl)c2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962714810 VRGSRKSNAWOYRU-YIXXDRMTSA-N 559.947 5.239 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1\C(=O)c2ccccc2[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953491 IVPWKLCKCRRGIO-VJUHFWBYSA-N 547.577 5.005 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963139502 LMKYQRMAWIYDQB-VWLOTQADSA-N 617.384 6.661 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 963175781 SCCIENPBEOBKQX-AWLITPKASA-N 725.728 7.204 50 1 KKGF CC(C)(C)[C@@]1(/C(C#N)=C/c2ccc3c(c2)OCO3)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963242196 XMWNKQCWJQEVRQ-TXMDNGDLSA-N 732.702 7.046 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@]1(CCl)c2cccc(Br)c2CCN1C 963281658 UKHRMWJURJQNAO-XVQNMKMCSA-N 717.528 7.446 50 1 KKGF O=C(N/N=C/c1c(-c2cc3ccc(Br)cc3oc2=O)[nH]c2ccccc12)c1ccc(Cl)cc1F 1772600404 BESXMLGJUUNZPH-XKJRVUDJSA-N 538.760 6.260 50 1 KKGF O=C(NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)c(O)c1 1857550980 ZZCBQDWRWDQAIV-UHFFFAOYSA-O 554.691 6.943 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857578703 QDLRLYPWXMVZLU-KSPURTDZSA-N 577.501 5.830 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3cccc(Cl)c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857617852 CNCNCCFRWPOODA-IURCMVACSA-N 616.914 6.056 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)COC=O)CC[C@]43C)[C@@H]12 1857771264 SKOVATIAHOGVMJ-KZDAZGORSA-N 553.740 5.858 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@]14CC[C@H]5c6c(ccc(c61)[C@H](N)NC4)[C@H](O)C#C[C@@H]([C@@H](O3)n1cc3[nH]cc5c3c1)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@@H]1O 2356350282 ZBRJNHVJFJKDJL-JLHMYBRRSA-N 957.272 9.084 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@](C)(O)C2CCNCC2)O3)O1 2356369396 WONCZZRXAVMZRG-JUVKQYEDSA-N 738.878 6.125 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356417212 UOMOKZRODUDDTI-MTUJHFSBSA-N 971.292 9.686 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@H](O)[C@@H](CCC1)CC2 2356866655 VOEKTCBMXBYCFH-OOHQQDKQSA-N 776.078 5.772 50 1 KKGF Clc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(Cl)c(Cl)c2)cc1Cl 29396632 FPEBGXXTIMGOOT-UHFFFAOYSA-N 668.672 8.861 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1ccc(O)cc1)C(=O)Nc1ccc(C)cc1-2 43531569 RBOSNQFLLDWGNU-LCINFKEOSA-N 523.253 6.575 50 1 KKGF CC[C@@H](C(C)C)[C@H](O)[C@@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Br)CC[C@]4(C)[C@H]3CC[C@@]21C 44086562 VCFUIBYZDQTWLN-RYWLMXRFSA-N 509.613 7.369 50 1 KKGF O=C(N/N=C/c1ccccc1O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 58506212 BWWGMYSDQZJVCE-WCMJOSRZSA-N 618.285 6.047 50 1 KKGF C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](C1CCCC1)[C@@]52CC4=O)CCNC(N)=N3 85549432 KJYMLMHGIXSSJO-QRQATKAJSA-N 517.805 5.089 50 1 KKGF biogenic,in-vitro O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NCc2ccc(C(=O)O)c(O)c2)[nH]c2ccccc12)NCc1ccc(C(=O)O)c(O)c1 95541421 KUKWJPKUERJESV-UHFFFAOYSA-N 738.844 6.754 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)c2cccnc2)C1 169851877 CPFRYINYUBIIDM-QPYVKPEPSA-N 511.867 8.338 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@H]1c1ccc(F)cc1 587327766 HIINPKNVNMUCHH-JYFHCDHNSA-N 533.905 5.472 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)[C@@H](C2)C3=O 587414458 VPWAUKWSCKCUSQ-BVZFJXPGSA-N 547.232 6.027 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(C(Br)Br)C(F)(F)C(F)(F)F 587545141 GLFRBVMGLNRXHY-XHDPSFHLSA-N 532.053 5.406 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587672022 CJVQKHAZQIEMKN-GIPWTMENSA-N 516.205 5.240 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587683287 GHOVUSSFHRXEMJ-MXNGYJDUSA-N 716.092 5.741 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587712346 OYXYOOJMAONIKF-SFDCACGMSA-N 564.248 7.685 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(Br)c2)N1 587718731 OAMTUSMYSSQXHA-XYZCENFISA-N 510.014 5.663 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 587766206 MLCIQEIWFQZDED-NEAASGQGSA-N 510.495 6.961 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br 587842883 GWYKAWOGPZDLTB-FDECTACXSA-N 919.053 9.774 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)CCl)n2)cc1 587921219 XXTAABIRKUVMNO-NRFANRHFSA-N 501.435 5.623 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](CCl)(c1cc(C(C)=O)cs1)N2C(=O)OC(C)(C)C 962714200 VKKQPCUXVCYXPA-JWQCQUIFSA-N 508.011 5.223 50 1 KKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@]1(C2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963005576 AWAXQNATLKWVJW-UDHADFHQSA-N 555.900 6.390 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCl)(c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 963168077 FRIUQFXLXXHDES-KBMIEXCESA-N 588.240 7.895 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CBr)([C@@H]2Cc3ccccc32)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229007 GOZCXXWPNRPJQB-DZLLRAINSA-N 700.498 6.399 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CCCCl)c3cccc(F)c3)nc(Cl)nc21 963914271 GPBLFPUFBHWDAM-AREMUKBSSA-N 514.432 6.231 50 1 KKGF Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)S/C2=N\NC(=O)c2cc3ccccc3oc2=O)c(C)c1 1857612748 IGQHPEVZMXGBBU-ICEIDMMXSA-N 513.550 5.371 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356452610 WJKCYHWSJBLXDX-XXMGCMFGSA-N 729.015 5.539 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356609554 FUOMRAZAFSYFRG-AOOCBSGRSA-N 839.093 7.449 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356650845 SYHWJNTYSOQCHD-HSPYRAFXSA-N 732.914 5.310 50 1 KKGF C=C[C@]1(C)C=C2C(=O)C[C@@H]3[C@](C)(C(=O)OO[C@@H]4C[C@@H]5C(C)(C)CCC[C@]5(C)c5cc(O)c(C(C)C)cc54)CCC[C@]3(C)[C@@H]2CC1 2356672300 DWLHCWUIQVURCE-OUWBWPPDSA-N 616.883 9.833 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356731636 UIZLUTJCRGLYEX-WHMGGAMASA-N 789.029 7.964 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CC=C[C@H]2CN(CCCOC)CC[C@@H]21)C3 2356754207 NTYUIIQKNXCLAY-GVMJAUFQSA-N 766.888 5.337 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@H](O)C2CCCC2)C1 2356817156 DIDJKGYPHJQHLR-AOPXMLGASA-N 877.227 5.502 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SS[C@H]1NC2=C4C5=C(CC[C@@H]6CC[C@H](c7cccc1c74)[C@@]56C[C@]1(O)[C@H](O)[C@H](O3)O[C@H](CO)[C@H]1O)CN2 2356820281 FIYLSZJOWFLFCY-IRWLMHKASA-N 947.141 5.418 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356857065 SGGADGQFJHWELB-NFJVDAKTSA-N 872.031 5.902 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356869280 XKJIHESQQBIMNO-KEXPFQKTSA-N 571.849 5.589 50 1 KKGF COc1ccc(CNC(=O)[C@H]2C[C@@H]2[C@H](NP(=O)(c2ccccc2)c2ccccc2)c2ccccc2)cc1OC 8018907 RTDUMXYNEMUTGW-WAKHXKBOSA-N 540.600 5.216 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1)[C@@H](CCc1ccccc1)NC(=O)c1ccccc1 14113369 AZTARPFJXYNPTC-KKLWWLSJSA-N 632.801 6.971 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccs2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 42765274 VHUICZOJPGXDGF-JHOSTREOSA-N 579.542 5.909 50 1 KKGF Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 70461167 UALNEMJMMJGVKT-UHBFCERESA-N 587.503 5.193 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1cccc2ccccc12)OCc1ccccc1 84617022 YUDMNBGWEUOHDH-NDEPHWFRSA-N 559.757 7.859 50 1 KKGF C/C=C(\CCO)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3[C@@H](CC)CN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 85594594 SQSSRBSSTYATII-BYHDKGNTSA-N 703.883 5.363 50 1 KKGF biogenic,in-vitro C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)CC2=CN=C5C=[N+](C=C25)[C@@H](O4)[C@H](C#C[C@H]6O)C2(C#CO3)CCCC2)CC1 85628632 DKOCIMRRWPDWSN-DLZUEXPUSA-N 828.093 6.928 50 1 KKGF biogenic,in-vitro CC(C)(C)/C=C(\C#N)C(=O)N1CCC(n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)CC1 149683345 FFPMWNNCFAQXLT-HEHNFIMWSA-N 521.625 5.527 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]34 150345880 BHEIZGQOUKRKAT-QGDCMICRSA-N 869.119 6.350 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(=O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169289999 VMDPKVPTUTUSNH-AUNLOZSESA-N 590.754 5.837 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CC[C@@H]4C[C@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@H]1CCC(=O)N2 254076646 JMZJBCNHUJOLER-OCORKZKBSA-N 563.610 6.336 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299808089 LESKKKIMBKXTJX-CSEWWJMCSA-N 909.039 6.329 50 1 KKGF O=C1C[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)Oc2c1ccc1c2CCCC1 587506570 ODRLHVJCXAZONV-FQEVSTJZSA-N 537.050 6.988 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587546754 XLLATVFZJFYELW-OGLUHDRSSA-N 714.215 5.516 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587712433 ASDCCEWNCLMPIR-MCFWBGNESA-N 562.257 7.267 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 587809777 JIHRVQQOBHKNET-LSNVCXHVSA-N 716.685 5.601 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]1(CCCCCCCl)c1ccc(Cl)cc1Cl 961949112 ISUJXYICYQDYOF-WSZLSEGOSA-N 645.027 6.118 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cccc(Br)n1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678019 NUGBTVYQTQISFS-XMMPIXPASA-N 614.256 6.217 50 1 KKGF CCOC(=O)N1[C@H](c2cc(OCC)c(OCC(=O)NCCc3ccccc3)cc2Cl)c2ccccc2C[C@@H]1C(=O)CBr 962998238 TYYZLEVDBNSWIL-NEEKEDPPSA-N 657.989 5.913 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)([C@@H](C#N)c1nc(-c3cccs3)cs1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809862 YWLOHEGMNGXUCD-BGOLNKOXSA-N 617.152 6.379 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOC(=O)c4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@H]21 1772602922 ZVWGPLHNGDBAKF-HKBQPEDESA-N 605.566 6.319 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@@H]21 1772644592 MKEYQIARNWKWGK-UUWRZZSWSA-N 633.620 6.638 50 1 KKGF Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)cc1 1911574883 BINDENCVNZRQQJ-HMMYKYKNSA-N 551.049 5.404 50 1 KKGF CCCCCCCCCCCCc1c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc(CCCCC[C@H](Cl)CCCCCCCCC)c([C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1O 2356324013 HCBVATPLVALITE-DULHSAKFSA-N 801.543 8.067 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1[C@@]12OC(C)(C)[C@@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356341196 INMMJJDLRDZRDD-OGPHDPQKSA-N 509.824 5.314 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@H]1C)N43 2356352380 SAZWQMRMIIQBKF-CQHURFQSSA-N 587.848 6.570 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356376315 RLYIEGNMERETJC-IFAPFDIJSA-N 843.203 7.360 50 1 KKGF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C=O)CC[C@@H]3CC(=O)C(C)=C(C[C@@H]4C(=C)CC[C@@H]5[C@](C)(C(=O)O)CCC[C@@]54C)[C@@]3(C(=O)O)CC[C@H]12 2356398764 BOICMILQJUYXAE-MBITXBAZSA-N 632.882 8.770 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356512189 ORVWKESSDHBOAX-DDMIFHCESA-N 885.240 6.519 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](C1)[C@H](CCc1ccccc1)c1ccc(=N)[nH]c1C#CCc1cc(O)c5c(c1[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@@H]1O5)C3)C2 2356689750 XHOWHFAZOPOEKG-HNIABTQISA-N 988.285 10.966 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356711743 UHVZLINJVKMBMK-RGTNXGLLSA-N 907.246 7.438 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC2(CCCC2)[C@H](c2cc(O)c(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356804086 AAPQGHRKVYUSPM-ZJMAKVHZSA-N 575.793 6.612 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SS[C@H]3C=CC4=C(NCC=C4[C@@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356840466 MREJDUBPMRJHRI-SLCSITFLSA-N 781.997 6.375 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC5=C(CC[C@@H]6CC7(CCCC7)C[C@]56C[C@@]5(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]5O)CN4)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356846978 OSJSKVRDAMGAEU-WUBIBYRDSA-N 871.087 5.158 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]45C[C@H](c6ccccc6)C[C@@H](C=C[C@@H]4[C@H](O)CC[C@H]3O)[C@@H]5CO)C=C12 2356859753 TYFCYJYFUZYPSA-KEJHVGBOSA-N 990.342 6.864 50 1 KKGF N=C(N)N(CCCCCCNCC12CC3CC(CC(C3)C1)C2)CCSSCCN(CCCCCCNCC12CC3CC(CC(C3)C1)C2)C(=N)N 26376037 HCEXUPWDIFSOSC-UHFFFAOYSA-N 731.222 7.492 50 1 KKGF CNC(=N)N[C@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]([C@H]1C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC2 85597194 SDEJRMFZZXDSSI-XDNMGFEPSA-N 752.956 6.030 50 1 KKGF biogenic,in-vitro COc1ccccc1CNCCC(=O)NCCCCCCCCNCCSSCCNCCCCCCCCNC(=O)CCNCc1ccccc1OC 95609926 WBMWTHJLBFWGDT-UHFFFAOYSA-N 789.210 6.838 50 1 KKGF CCN(CCCCCCNC1=CC(=O)C(NCCCNC(=O)CCCC[C@@H]2CCSS2)=CC1=O)Cc1ccccc1OC 101284239 WUQZNYSVERYXKI-HHHXNRCGSA-N 630.921 5.397 50 1 KKGF Cc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)cc1 103185604 AVGMNEJNVJMTMG-ZEQRLZLVSA-N 566.839 5.954 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]23[C@H]4/C(=C(/C)C=O)[C@H](C=C[C@]4(CCO)CC[C@@]12O)C[C@@]3(C)O)CCC=C(C)C 103574789 DHUQOBXHRXABQQ-GMMMBCLCSA-N 536.753 5.526 50 1 KKGF biogenic,in-vitro FC1(F)CCN(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1 137601595 PCUMPDZAYTWXKZ-UHFFFAOYSA-N 503.630 6.281 50 1 KKGF NC(=O)c1[o+]c2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@@H]4OCSSC[C@H](C5=C[CH+]N=C5)[C@H]([C@H]5CC#CCC[C@@H]6C=C/C(=C/C5)c5ccccc56)CNC[C@]34O)ccc2c(=O)[c-]1-c1ccc(O)cc1 150343943 PAAWUNJDBSSPHH-GGRWIDKRSA-O 931.078 6.208 50 1 KKGF biogenic,in-vitro COc1cnc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4ncc(OC)cn4)cc3)cc2)nc1 150598528 OAHQQPHSWVBIIW-UHFFFAOYSA-N 830.952 6.189 50 1 KKGF CC(C)(C)[Si](C)(C)Oc1ccc(/C(=N\NC(N)=S)c2cccc(Br)c2)cc1Br 170136050 ABKBJHPPUDBLDC-MOHJPFBDSA-N 543.401 6.181 50 1 KKGF C[C@]12CCC[C@@](C)(C(=O)OC(=O)[C@]3(C)CCC[C@]4(C)c5cc(O)ccc5CC[C@H]43)[C@H]1CCc1ccc(O)cc12 195331334 CXSWMXMKWWOTPK-CJQMYPRTSA-N 530.705 6.888 50 1 KKGF COC(C[C@H]1CCCC[C@]1(O)/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)Sc1ccccc1)OC 195419835 VXIWLKZHZSVSDC-GQNSSFMESA-N 508.841 7.785 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@H](Cl)C[C@]2(C)[C@]1(OC(=O)c1ccoc1)C(=O)CCl 253635659 ZMCKAHOCNZBGEK-PMNLEWJLSA-N 539.883 6.116 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299842846 YCOIJPSIDUQDNN-IYGBSIDOSA-N 812.448 5.694 50 1 KKGF O=C(O)c1nn(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1I 587186431 WIGLNEJJZNQUEY-UHFFFAOYSA-N 573.079 5.530 50 1 KKGF C[C@H](Br)[C@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322581 NIXNMJAVQKHPJK-OIULMMOXSA-N 510.359 5.766 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CCl)c1ccc2c(c1CCN5C(=O)OC(C)(C)C)NCCC2 961776258 LIASJVQWRWMVQH-XWSFLHLOSA-N 669.278 6.620 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 962397661 KYULQKRVQDLFKL-PMERELPUSA-N 574.544 6.616 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@]1(/C(=C(/C)NNC(=O)Cc3ccccc3)C(=O)c3ccccc31)N2C(=O)OC(C)(C)C 962711578 PULUZZSUONAANW-JEJAWLCUSA-N 625.697 5.054 50 1 KKGF CCOC(=O)N1[C@H](C(=O)CBr)Cc2ccccc2[C@@H]1c1cc(OCC)c(OCC(=O)NCCc2ccccc2)cc1Cl 962998239 TYYZLEVDBNSWIL-SUYBVONHSA-N 657.989 5.913 50 1 KKGF CC(C)(CCl)C(=O)Nc1cccc([C@@]2(C)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963043938 VLHYQWFJTXHPCC-JJQXXVEZSA-N 659.129 7.692 50 1 KKGF O=C(O)Cc1ccc([C@@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)s1 963103200 ZPFZLILZOWJOJL-MFACQUFMSA-N 608.159 7.161 50 1 KKGF O=C(c1ccc(Br)cc1)[C@@H](Cl)[C@]1(c2ccc(Br)cc2)NCCc2c(Cl)cc(Cl)cc21 963104168 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Cc1coc2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2o1 26468898 KQLVYYQYMYOTLL-GOSISDBHSA-N 539.975 6.909 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@H]4C[C@@H](Cc5c[cH-]cn5)c5ccnc(N)c5CSSC[C@H](CO)[C@@H]4O)c3)C[C@@H](O)[C@H]2[C@@H](OCCO)CCCC1 85631696 ZNMGJNVCLKUTFX-KVECXZFASA-N 791.069 6.130 50 1 KKGF biogenic,in-vitro CC1(C)O[C@@H](CC[C@@](C)(O)[C@H]2CC[C@@H]3O[C@]4(C)CC[C@@H](Br)C(C)(C)O[C@@H]4CC[C@@]3(C)O2)[C@@](C)(O)CC[C@H]1Br 162546232 HQWJZHVIHPJUEI-WCBNQFHPSA-N 668.548 6.586 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](Cl)[C@@H](C)/C=C/C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169372149 YNMLUPLDAJOVTM-NKZLQOEASA-N 605.212 5.778 50 1 KKGF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCCCCCCn2c(=O)c(C)cn([C@@H]3O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]4(OS(=O)(=O)C=C4N)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)c1=O 195764461 ZUXZCHQRODMLNK-VWIOFMLLSA-N 981.332 5.548 50 1 KKGF O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1O)Nc1nc2ccc(N3CCOCC3)cc2s1 299829024 HMZPPGUUXBTWMR-IPPBACCNSA-N 572.474 5.880 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1 587324307 XTEAGCKKMFLIJL-NRSLUSSRSA-N 501.348 5.586 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1C(c1ccccc1)c1ccccc1 587325166 CGKLEMYRAWPACS-HJIQQCSTSA-N 566.072 8.081 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)ccc1Cl 587329209 XMSZLYILGATFQQ-XCZPVHLTSA-N 544.837 7.739 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)OCc1ccccc1)CC2=O 587458458 CAPZGKLYHPEIGN-XPOJRZKVSA-N 678.226 5.472 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587539999 ZFLBPSHZBFKTPW-GIGWZHCTSA-N 521.451 6.993 50 1 KKGF N#CC1=COc2cc(Br)ccc2[C@]12c1ccncc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962469491 ABEBTOJVZZAPHO-CYTLCNBWSA-N 620.459 6.148 50 1 KKGF O=C(c1ccccc1Cl)[C@@H](Cl)[C@]1(c2ccccc2Cl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951972 GTAVIPHYSJWGAY-VPUSJEBWSA-N 568.850 7.398 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCCCCCl)(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1 963021666 QXWRRMXZOJCVTI-YZNIXAGQSA-N 553.461 7.155 50 1 KKGF CC[C@H](Br)[C@]1(c2ccc(OC)cc2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039423 NXUJQLJXJIWKHX-WFLWKIQJSA-N 662.527 7.651 50 1 KKGF Cc1cc([C@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc2c(c1)OCCO2 963040995 PTOVXLCKTRLIDZ-GOOTYSBQSA-N 711.161 7.886 50 1 KKGF CCN(CC)C(=O)[C@H](Cl)[C@]1(C)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229040 GYIBNHKSTMMYBT-FYMVNZAOSA-N 667.071 5.160 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCCCCCCl)(c2ccc(Cl)nc2)N1C(C)=O 963329641 QCHXWVWTFIXEML-VRCSSVMSSA-N 813.757 6.971 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cn(CCC[C@H](C)Cl)c2ccccc12)C1C(C)(C)C1(C)C 963629383 BDJBIKVTXFEXNU-UTNVIAISSA-N 523.161 7.526 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1[nH]c(=NC2CCN(Cc3cccc(C(N)=O)c3)CC2)nc2sccc12 1857614923 UGSZNVRYWOXVSO-GQCTYLIASA-N 538.677 5.235 50 1 KKGF O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2nnc(-c3ccccc3Cl)o2)cc1 1857615792 DSKHTMGMKRQCTC-UHFFFAOYSA-N 517.920 5.707 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(-c4cc(-c5ccc(Cl)cc5)[nH]n4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857650084 BCHBQUBWNDSSKN-DQRMWNQHSA-N 537.056 6.984 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356351155 RDKHWRZFYDQRQQ-ZUPWGVRKSA-N 773.068 5.290 50 1 KKGF CC1=C(CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]32C)[C@@](C)(CC=CC(C)(C)OO)[C@H](O)CC1 2356385243 KKUBOUCKYPCBMT-RMJLKJFGSA-N 508.740 5.944 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O 2356545627 LWGJGVMYMKRTML-QZNCMCEJSA-N 682.857 6.595 50 1 KKGF CNCc1ccc(CO)c([C@@]23C=C[C@@H]4CCC5=C6C[C@H]7C[C@H](CO)[C@H](CCCO)[C@@]6(CC5=O)[C@@]7(C)CCSS[C@@H](CC2)[C@]42NC(=N)NC[C@H]23)c1 2356774350 VXUJVTATKSQBGU-KOYAMQAUSA-N 721.046 5.215 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356815999 MRPYBWQVQHMPLO-GVKZYBSLSA-N 674.865 5.565 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSSC[C@@H]1O2)C5)CC#CC1=C(C=C[C@@H](N)N1)C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356853021 QVQGKKVYYUSUES-RQYPXLNVSA-N 902.148 7.802 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NC[C@@H](CCc4ccccc4)[C@](Cn4ccnc4)(SSC1)C3=C2 2356855705 RSLLQCDEEIXSLN-GTCZYVBISA-N 698.955 6.914 50 1 KKGF CCN(C)C(=O)SC[C@@H](CN1CCCCC1)SS[C@@H](CSC(=O)N(C)CC)CN1CCCCC1 28872935 QBPSAUIEEKKUNB-FGZHOGPDSA-N 550.926 5.687 50 1 KKGF O=C(N/N=C/[C@@H]1NN(c2ccc(F)cc2)[C@@H]2[C@H](Cc3cccc4ccccc34)CCC[C@H]12)c1ccccc1 253636481 IWRDBMLARBRACV-HYQGKUPASA-N 506.625 6.116 50 1 KKGF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587033510 ICWLMYUKSZQYNX-CQSZACIVSA-N 554.404 8.469 50 1 KKGF O=C(Nc1ccccc1)[C@H](Cl)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324537 RAFRGMDBCCVVCY-RWPDHJIBSA-N 501.941 6.032 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329996 ZIGZYEJLLQGSFP-FNHPQPPGSA-N 683.600 6.810 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587332660 MBWLAMZLPHCNPD-LLFVMFRPSA-N 695.199 7.177 50 1 KKGF CCN(CC)c1ccc(-c2nn(C(=O)CCCCCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 587666963 IXNVAVBXCFQHKE-UHFFFAOYSA-N 535.689 5.146 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1 587673930 RRNBJKQVPGYEMH-GYCJOSAFSA-N 519.252 6.340 50 1 KKGF [C-]#[N+][C@@H](c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(C)cc1 587895034 BVCPXCHNWPHYFR-AREMUKBSSA-N 511.430 5.404 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653755973 MVMPHJRXYOKOKP-GTILQLRHSA-N 548.680 5.236 50 1 KKGF CC(C)(N1C(=O)c2ccccc2C1=O)[C@]1(CCl)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962564801 BFZKNSQFGSKXIJ-ZADIWHOSSA-N 636.104 5.851 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(c2ccc(Cc3ncc(C(F)(F)F)cc3Cl)s2)N1 962716694 XFZNCAASWPNWBF-GHTZIAJQSA-N 587.344 6.645 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(CCl)cc12 963159780 RLKKNHTWYZFWBN-PIFUBOJPSA-N 676.216 7.542 50 1 KKGF C[C@@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1857571502 JZTZQAHLLSBBFY-MRXNPFEDSA-N 533.359 7.150 50 1 KKGF O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCCCN1C=CC(=CC=C2C=Nc3ccc(F)cc32)C=C1 1857588255 VDZMBHHMGSJXQP-UHFFFAOYSA-N 581.563 7.008 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(F)cc2)nn1 1857629329 ICGSNLTYMCSXHB-XJTLHGHDSA-N 507.650 6.213 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)[C@]5(CCC[C@H](CC=O)C5)SSCCC[C@@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356309800 OGHIGAWPFFMXBZ-IGSWZXEOSA-N 778.986 8.014 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@@](CNC)(C[C@@H]2C[C@H](O)OC)O3)C12CCCC2 2356349318 BYMPGSIYMBPRBE-FIRFZDRUSA-N 903.265 9.365 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@@H](C)CC[C@H]3Cc4c(c(OCCO)cc5c4[C@H]1[C@@H](O)[C@H]2O5)-c1ccc(O)cc13 2356357251 REDIEUKDJJCTFM-YWVUYQPDSA-N 676.853 6.501 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@H]3CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C3)[C@]1(C=CC[C@@H](C)C1)C2 2356359308 HVWDDDJUTXWBOD-WWLCEWKHSA-N 659.062 9.429 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@@H](O)C5 2356366549 LLNVVCIRRRFTJA-KKUONMJISA-N 912.265 6.358 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@@H]2O)O3)c(O)c(OC)c1O 2356768488 OVIXSLUMGONREA-XEMQDMCSSA-N 712.883 6.128 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356816912 DFJCMMDFYVUFLZ-MNHUEJGNSA-N 800.952 6.241 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC21CCCC1 2356868475 XCGFYWHPMJAVIS-HOEDPUHUSA-N 830.170 6.943 50 1 KKGF CSC1=Nc2nc3c(c(-c4ccc(Cl)cc4)c2[C@H](Cl)N1)CCC/C3=C/c1ccc(Cl)cc1 40918644 XDBWTXLQRQHLPJ-AONZOJHOSA-N 500.882 8.123 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCCI)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103295752 LLCOYELROSHDIP-RBNDYAJOSA-N 640.687 7.488 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@H](CSSCc1cc(O)c(OCCNCCC(C)C)cc1[C@@H](O4)[C@H]3COC(C)=O)C2 150343258 OPTDNFMJZVTDDZ-ZCNWTKJPSA-N 651.847 7.103 50 1 KKGF biogenic,in-vitro NC(N)c1cc2c3cc1CSSC[C@]14CC[C@H](CCC[C@H](O)CO)[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 150349113 MBWVBNJLYMIENH-VENVIZIYSA-N 905.172 7.076 50 1 KKGF biogenic,in-vitro C[C@H]1C[C@@]23CC[C@H]4[C@@]5(C)CCC[C@@]4(C)C(=O)OC(=O)[C@@]4(C)CCC[C@]6(C)[C@H]7CC[C@]8(C[C@]7(CC[C@@H]46)C[C@H]8C)OC(=O)CCCCCCCCC(=O)O[C@@]1(CC[C@@H]52)C3 169291003 HGJYDJTZVSYCNN-AFTGFDCTSA-N 789.151 11.620 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)[C@H](Br)C[C@@]43C)[C@@H]1CCC2=O 169302493 VAVMQQNNCHMREK-NMGWPLJBSA-N 503.437 6.315 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299816114 ROQIHFFCAPNSHV-QPUKFSGYSA-N 594.742 5.436 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(Nc4cccc5ncccc45)n3)nc2c1 587018074 SJXZRBAZXQBSJL-UHFFFAOYSA-N 548.360 8.398 50 1 KKGF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587238082 FKPHDCBLZPVNRB-UHFFFAOYSA-N 533.364 8.592 50 1 KKGF COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1NC(=O)OCC1c2ccccc2-c2ccccc21 587238708 MGKLTAHEUZUGQX-UHFFFAOYSA-N 666.466 10.019 50 1 KKGF COc1cc(OCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1[N+](=O)[O-] 587263304 RDPWVSNSNPEWCD-UHFFFAOYSA-N 504.231 6.479 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](Br)C1 587321632 DSTRCZVFDVECJO-CAMXOCNWSA-N 520.395 5.470 50 1 KKGF CC(C)(C)c1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O 587323574 RWLRLNMBCZIISD-QCDSWUKFSA-N 555.484 7.481 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OC(F)F)cc1OC(F)F 587552555 AKYHDALVYWRILE-MBSDFSHPSA-N 543.263 5.847 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 587674348 WHTJUFZSCJMIIP-MQNRADLISA-N 610.159 7.006 50 1 KKGF C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(/C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587817693 DQIDFWNEBGFUGL-UIEPOXTCSA-N 510.491 7.816 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 587856542 NIXPSKXBLYGRQO-RULNZOCKSA-N 510.413 5.513 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3nn(COc4ccccc4F)cc3Cl)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587945091 HWDXWXRGEGODLC-WGIYRACESA-N 590.048 5.795 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(c1ccccc1)[C@@H](Cl)C(=O)Nc1ccc(Cl)cc1 963069182 SFNOSGMBOYTBMK-DGBDDGMYSA-N 638.548 6.308 50 1 KKGF C[C@]1(CCCl)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963242348 YGKSMLHRCRYZMU-DWACAAAGSA-N 581.965 5.313 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1ccc([N+](=O)[O-])cc1Br 963841642 QEHZCVJASMIUSX-MZNJEOGPSA-N 598.288 5.941 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccccc1OC(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857620427 UGCAUPHCLIITKY-MRXNPFEDSA-N 529.427 5.406 50 1 KKGF COc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@@H]1CCO 2356357960 WBXVEHWFZSJIOW-COUIDWKPSA-N 596.723 6.021 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@]13CC[C@@H](C[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)[C@@H](C)CCSS3 2356418525 LMMNQEFKHMLCLB-GYAJHZNKSA-N 732.917 6.424 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(NC(=N)N)CSSC4)O[C@H]21 2356511787 IFAFKNVDGXHZGD-JZSADQIFSA-N 791.005 6.254 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356656421 UIOIUPXBVQUWKA-WIQNOKQISA-N 713.063 7.314 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]56CSS[C@@H]([C@H](O)CC#C[C@@H]5[C@H](O)[C@](O)(CO)C[C@]36C)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356767577 DUIDKQICBJPFJC-HHHAOFFKSA-N 974.292 5.108 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1C=C[C@H]4CC1 2356821791 GETDGDJEINETKW-WUHWJHAXSA-N 845.016 6.725 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356838784 MDDVZOZWZCKGBX-PARIJOEKSA-N 888.030 5.221 50 1 KKGF NC(=O)[C@@H]1Oc2cc(O[C@@H]3O[C@@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](C6=CCN=C6)[C@H]([C@@H]6CC#CCC[C@H]7C=CC(=CC6)c6ccccc67)CNC[C@@]35O)[C@H]4O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1 2356842262 MMJABDBQEGLTKK-IUJUKHTJSA-N 985.126 5.289 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@]([C@H](C)Cc5ccccc5)(C#C[C@@H]3C=C12)C1(CCCC1)C4 2356852144 QNOHXLAMRMJOJQ-NHVFFQSRSA-N 974.387 9.364 50 1 KKGF COc1cc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc(Nc2c3ccccc3nc3c(C)cccc23)c1 42835112 UPRNUHJHUPUYFF-UHFFFAOYSA-N 588.539 8.377 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3/C(=N/Nc4nc5nc6ccccc6nc5s4)C=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 44306321 KBKLKMGFSONIFG-KVOTXBJBSA-N 618.335 10.266 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 85569311 UWFWTGBUZWMJMF-KZQOYIJHSA-N 668.830 6.496 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccc(Cl)cc5Cl)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 96916467 LPLTYDVCSQFISF-KPBQUWFISA-N 553.530 7.187 50 1 KKGF CCCCOP(=O)(OCCCC)[C@@H](N/C(SC)=C(/C#N)C(=O)OCCOCC)c1ccccc1 103210789 GJEVHDLBFTYGGB-HOGKFDNTSA-N 512.609 5.779 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCC2 103950609 OBUXCNJJNXPZHZ-HXUWFJFHSA-N 521.423 6.055 50 1 KKGF CCSS/C(CCO[P@@]1(=O)OCc2ccccc2O1)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCO[P@@]1(=O)OCc2ccccc2O1)SSCC 150566294 PAAIFRPCCCMBFI-VBCUWSRFSA-N 945.178 13.318 50 1 KKGF C[C@]1(C(=O)OC(=O)[C@]2(C)CCC[C@@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 169296930 CXSWMXMKWWOTPK-WUALOZMVSA-N 530.705 6.888 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccc(Br)o2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 299810369 UXDUVXYQKPADPT-NJDCLQNYSA-N 642.370 6.203 50 1 KKGF Cc1cc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Br 586975819 GCPZEGFAINKKKM-UHFFFAOYSA-N 506.132 7.645 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3c(I)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057919 XYYBDCGNAXLCGL-NTUHNPAUSA-N 568.633 6.994 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)CC2=O 587460629 OGGDGMDQSACRCX-AREMUKBSSA-N 529.376 5.993 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(Br)cc1)C(Br)Br 587539293 VGEWALAGEBCUIY-UTKZUKDTSA-N 569.043 6.128 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C(c1ccccc1)c1ccccc1 587544644 ORNXTIZGAPXPDI-KAODMTDESA-N 550.054 7.544 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccc(Br)c2)([C@@H](Br)C(=O)c2cccc(Br)c2)N1 587669583 FKDOOFDXDIWVLZ-AMIRBURQSA-N 675.028 7.537 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Cl)cc2)([C@H](Br)c2ccccc2)N1 587672817 IGZXQSWNPSUGKJ-AUDZJJNUSA-N 523.671 7.156 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 587709523 AWALDTQHJQCWHQ-HUTHGQBESA-N 515.570 6.433 50 1 KKGF O=C(CCCCCCC(=O)Nc1ccccc1)NC[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621485612 BGFMYCSCWODWNM-VOAGPALDSA-N 524.702 6.099 50 1 KKGF CCC(CC)[C@]1(c2c[nH]c(C(=O)NN)c2)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962676412 NGEGRHMTXKFQHC-NDEPHWFRSA-N 558.601 5.033 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2ccc(F)cc2)([C@@H](Cl)C(=O)C(F)(F)F)N1 963176000 HHVDNBGLDBOPJZ-RLFYNMQTSA-N 518.212 5.079 50 1 KKGF C=C(C)[C@H]1CC[C@@](C)(O)[C@@H]1/C=C/C(C)=C/[C@@H]1C[C@@]2([C@H](OC)O1)[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 1857558766 YQUJWWPTRQZRED-QWOCNTTISA-N 516.719 5.039 50 1 KKGF C=CCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857626432 GXAGQWOZOOYZGO-LVMJEYPOSA-N 529.718 5.280 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Br)C(C)(C)O[C@@]1(C[C@@H]1C(C)(C)[C@H]3CC[C@@]1(C)O3)C2=O 2356336944 UGEWFNIBLSXHJU-KEKFYEDASA-N 555.893 5.448 50 1 KKGF C=C(CC[C@H](OS(=O)(=O)O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356339798 XPFSDJHOHZEAIC-RWOQLCQYSA-N 667.700 5.816 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NC[C@@H](C)O)c(CO)c1 2356363112 HFJYAEKLXVECAL-TUUXVNRNSA-N 746.992 8.033 50 1 KKGF CCCCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 2356484894 LCXIOZVDXMDUJO-YJYFDTPRSA-N 868.700 12.144 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@]1(C)CC=C1[C@@]23CC[C@]2(OO3)C(C)(C)[C@@H](O)CC[C@]12C)C(C)C 2356670479 PSECKJIFRYHDDK-YPJGSQDBSA-N 516.719 5.824 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)c1O 2356708166 GEWBSZYKQBTSJN-SXVNXSNFSA-N 738.965 8.011 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](OCNCCc1ccccc1)CC(=O)CC2 2356718838 HXGNZGYOHWNLLG-PMERELPUSA-N 631.860 8.059 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356764534 OQSUSEXJEFWYDB-RVSCESCVSA-N 965.292 9.008 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356775563 NGMZJWKQBGPKHP-CNZMDLPNSA-N 937.362 11.120 50 1 KKGF C[C@H](O)CN[C@@H]1CC[C@H](O)[C@@H]2[C@H](C#C[C@H]([C@H](C)Cc3ccccc3)C1)C=C1CCc3cc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)cc3[C@H]1C[C@H]2O 2356841543 NJVVJXDCWVZOBW-KCJNFJLGSA-N 939.298 6.116 50 1 KKGF CC(CCP(c1ccccc1)c1ccccc1)(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1 49799657 HIKFPFMFMYSOIZ-UHFFFAOYSA-N 666.766 9.562 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5Cc6c(c(OCCO)cc(c6[C@@H]4[C@H]2O)O3)-c2ccc(O)cc25)c1O 85567688 GEWBSZYKQBTSJN-UMYYHBBFSA-N 738.965 8.011 50 1 KKGF biogenic,in-vitro CCCC[C@H]1CCC[C@@H](Cl)C[C@@H](O)c2cc(O)c(c(O)c2)[C@@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 85599626 DGYVKJRGCRBJLQ-YVGGKYLCSA-N 639.701 9.827 50 1 KKGF N#CC1=C(N)OC2=C(C(=O)CC(CCCCCCCCCCBr)(CCCCCCCCCCBr)C2)[C@@]12C(=O)Nc1ccccc12 98082471 PRIVFPATIRNXIO-QNGWXLTQSA-N 745.641 10.016 50 1 KKGF Cc1cc(-c2ccc(OC(F)(F)[C@H](F)Br)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103204388 FCIZROQYUKLZOG-NRFANRHFSA-N 560.798 7.641 50 1 KKGF O=C1OC(=O)[C@@H]2[C@@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2c(Br)c(Br)c(Br)c(Br)c21 160457028 BGYCSUWVTBUNEJ-TWJSWXTQSA-N 683.972 6.583 50 1 KKGF COC(=O)C[C@H]1OC(C)(C)[C@@H]2CC[C@H]3[C@]4(C)C[C@H]5O[C@@]6(C[C@@H](C)C(=O)O6)C[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@]34C[C@]21OO4 255231881 MDBRHGOJXOXYEH-HDFZJBHYSA-N 546.701 5.113 50 1 KKGF CC(=O)O[C@H]1C[C@@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@@]12C)OOC1(CCC(C)CC1)OO3 299815640 WFEQWOQEOCWDMV-SKCPMVRISA-N 634.807 6.742 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299842982 LTLNAIFGVAUBEJ-HOSQATSUSA-N 826.475 6.085 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc2c1 587006461 OCHDGMSPWVTRDT-UHFFFAOYSA-N 517.115 7.665 50 1 KKGF Cc1c(Br)ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587190123 ICFNBZGNMAYJOD-YTDHDMEXSA-N 654.690 7.666 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(C(C)(C)C)cc3)c(CCl)c2c1 587618789 VELNQNHHNQUSIG-UHFFFAOYSA-N 528.030 6.589 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@@H](Br)C(=O)c2ccccc2)N1 587669191 BEVIUFFIOSCJTI-BDJFWFNGSA-N 517.236 6.012 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 587672831 IJHOMVJPLNAVDU-RXAIFQJESA-N 537.270 7.658 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 587684041 JSLUBOMJEMMGMA-CRYYWNKWSA-N 527.865 6.198 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)ccc2F)N1 587720173 RKOWOWPRQXABEZ-XYZCENFISA-N 510.014 5.663 50 1 KKGF Cc1cc([C@@]2(CBr)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(F)cc1Cl 962478584 WYTXNZLSCYUIRI-QLWXXVCSSA-N 635.917 7.081 50 1 KKGF C[C@]1([C@@]2(O)[C@H](Br)C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962761949 IKBNORFGFGIHHH-KLKIRWOVSA-N 608.539 6.184 50 1 KKGF Cc1cccc([C@H]2C(C#N)=C(N)OC3=C2[C@]2(CCC3)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962950008 DGGJUNGQHLIOGK-PWUYWRBVSA-N 521.583 5.806 50 1 KKGF CC(C)(C)[C@@]1(/C(C#N)=C\c2ccc3c(c2)OCO3)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963242194 XMWNKQCWJQEVRQ-PLOUPEKWSA-N 732.702 7.046 50 1 KKGF Cc1cc([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 963817485 NHDVFYFKMCMENC-WJOKGBTCSA-N 541.051 6.691 50 1 KKGF N#CC1=C(c2cccc(Cl)c2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772649161 XCTJHHLMYAMZGZ-OAQYLSRUSA-N 502.842 6.316 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccccc4Sc4cc(/C=N/NC(=O)c5ccncc5)ccc43)nn2)cc1 1857533754 PMOXZBAYBRWKEA-ATZGPIRCSA-N 542.628 5.160 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@@]13CC[C@@H](C[C@@H]1O)[C@@H](CC(=O)CC2)O[C@H]1N[C@@H](CCCO)[C@@H](CSSC3)C[C@@H](CCO)c2cc(NCC(C)=O)c(CO)cc21 2356370902 DZIDHAUNYUWZSY-UNUOAWJQSA-N 993.345 8.802 50 1 KKGF CC(=O)NC[C@H](I)CC(C)=C1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 2356490491 KGBSGBJFEOXATN-XICBLMLASA-N 623.616 6.746 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CC1=O)C[C@H](NC(=N)N)CSSC1(CCCCC[C@@H](O)C[C@H](OC(C)=O)CC2)CCCCC1 2356717813 FMEHBNXPXHKMHQ-KKAKYAENSA-N 678.962 5.655 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc(C(N)N)c3)=C3CC[C@](C)(O)[C@]2([C@H]1O)[C@@H]3CCCO)CCC=C(C)C 2356756018 MJELDTMLXDXABX-RKAQAXPMSA-N 711.047 6.490 50 1 KKGF O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@@H]5CC#CCCCc6ccccc6C=CC5)CNC[C@]34O)ccc21 2356831084 JLYWXVQVAJSZCX-IHIWDXNGSA-N 866.047 6.075 50 1 KKGF Cc1ccccc1[C@H](NC(=O)c1ccc(C#N)cc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1C 37858485 BFPDTPAHEKIKHN-HEVIKAOCSA-N 654.767 6.811 50 1 KKGF O=C(N/N=C/c1ccccc1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 58487727 SQMURJJJNPVQGE-KBVAKVRCSA-N 602.286 6.342 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 58617470 JTXHATPLRKWRIJ-LRLOGCLQSA-N 525.436 5.580 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(OC)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84706076 SFZURCXFMQCJIA-RUZDIDTESA-N 530.028 5.669 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3CCC[C@H](CC[C@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@H]2O)c1O 85567653 ZQGRECLODSEVMW-UHXPVYOTSA-N 768.991 7.760 50 1 KKGF biogenic,in-vitro COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)COC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[C@]1(C)CC2 95543475 SORIDFAWEHLRGI-OWHCCMNYSA-N 861.159 7.305 50 1 KKGF COc1c(/C=N/NC(=O)c2ccc3cc(Br)ccc3c2)cc(Br)c(O)c1Br 95590883 JVXYYUAMAWHCIQ-NUGSKGIGSA-N 557.036 5.605 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(N)=O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCC[C@@H]1C)OO3 135692316 UWQSQZOQRFSXSE-VMULXRFBSA-N 633.823 6.143 50 1 KKGF O=C(O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 169299531 IZYGMLSUEPIQQQ-QTTGFBFGSA-N 525.970 6.240 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 169363393 GXXCHGXPDJFXGQ-WUYLSJFFSA-N 557.171 7.613 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587324165 WRPCYHAJYJXIII-IAPPQJPRSA-N 503.367 6.848 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2Br)[C@@H]1c1ccc(F)cc1 587333480 KOCKKWMAAPOBOY-IFMALSPDSA-N 524.155 6.082 50 1 KKGF COc1cc2c3c(c1)O[C@](c1cc(/C=C(\C#N)c4cccc(C(F)(F)F)c4)n(C)c1)(c1ccccc1F)[C@@H](C2)C3=O 587424253 YGSNJUPGYXGOHB-BVMWSZPVSA-N 558.531 6.947 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)OC(=O)C[C@H](CC(=O)O)C(=O)O 587941120 RNBJSLHMEUFEGL-VPICXTQMSA-N 813.386 5.001 50 1 KKGF C[C@H](Br)[C@@]1(C2CCC2)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962962925 DJIVFRFYLKIAJF-DWDVGXATSA-N 576.871 5.078 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2cccc3c2OCCO3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079374 KGHIJCAHAMVRNB-ABJZOGFOSA-N 812.606 8.053 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cccc(C#N)c2)N1 963158867 CVSVGCLOIVLMMB-JUKUECOXSA-N 643.585 6.477 50 1 KKGF N[P@](=O)(Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl 1772652577 YKWQMQSCCFKVSX-LJAQVGFWSA-N 519.167 5.361 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356360171 ZPSNZCJDFTUTGE-RPRFPLTHSA-N 640.960 5.069 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 2356364981 CSFRVPIHRLBUNR-CCUBTVMPSA-N 828.999 5.211 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)CCC=C(C)CNCC1CCCCC1 2356489187 NBOYRKMILJEXDZ-VVXKLNNTSA-N 640.950 5.710 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OCCC(C)C)c1O 2356768229 LAHZAMUNMXIZPN-SATBQASPSA-N 666.902 8.626 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@H]4[C@@H]2O)O3)c(O)c(OC)c1O 2356768487 OVIXSLUMGONREA-SMOJRQTCSA-N 712.883 6.128 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356826857 HKUMPBZKBNEBMN-LVTOUFNJSA-N 900.041 5.471 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@]4(C=O)OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356846403 ONSFVSQGBBHMJA-ANSMCDAWSA-N 960.096 6.100 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3cnc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC 26377756 SGYKVLLOHIVPDZ-QGZVFWFLSA-N 649.060 5.720 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 26817371 MXZDFWPOJAPNJL-VIVUCZJBSA-N 705.676 5.325 50 1 KKGF CCCN(CCC)C(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145551 SRSFZOYALRVOOJ-QGQQBCCHSA-N 574.850 7.855 50 1 KKGF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCN[P@@](=O)(N(CCCl)CCCl)O1 66252173 XHETZCWARGANIQ-ZRGICUATSA-N 515.462 6.188 50 1 KKGF C/C1=C(\CCOC(=O)[C@@H](N)CCCCN)SS/C(CCOC(=O)[C@@H](N)CCCCN)=C(/C)N(C=O)CCCCCCCCCCCCN1C=O 84731375 LNMVPMCZSCWVBB-XKZFWMRJSA-N 743.094 5.441 50 1 KKGF Cc1ccc(COCC(C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 95541403 KHKARXCOCVWTON-MDMAFYNFSA-N 710.949 8.409 50 1 KKGF N#CC1=C(N)N(c2cc(F)ccc2F)C2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96908494 UKUJKFPHJBSRJR-LJAQVGFWSA-N 545.549 6.482 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(/C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 169358126 ZMYCLKSPUUAQFN-JUDWFZRISA-N 945.072 7.011 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191357 SZXOKOZCEXTEEA-IROVJIRSSA-N 658.653 7.496 50 1 KKGF CCCCCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br 587191813 YEMKYERHXKXGFZ-JMYPMBCISA-N 726.797 8.926 50 1 KKGF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587231486 PADGSYLGELVXDS-UHFFFAOYSA-N 571.366 5.930 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)[C@H]1c1ccc(F)cc1 587320225 FBHPINPGRGPADC-ZCYQVOJMSA-N 563.206 7.142 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 587558961 YMNVDWJNYBNHTO-SZFLXFFASA-N 667.170 6.426 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 587674575 XPWAIQORFKXPAY-SBKAZYGRSA-N 549.065 6.723 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 587684909 MVXKYGFJPJVXHZ-LMKMVOKYSA-N 501.827 5.982 50 1 KKGF COc1cccc(/C=C/C(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)[C@H](OC(=O)/C=C/c6cccc(OC)c6)C[C@@H]([C@H]2C)[C@]53OO4)c1 653764344 HLBGHFQMDYPEJC-FTRSMLMGSA-N 620.695 5.703 50 1 KKGF N#CC1=C(N)OC(c2ccc(-n3c(-c4ccco4)nc4ccccc4c3=O)cc2)=C[C@H]1c1ccc(Cl)cc1 653912908 UFIJFJHEDJWTCS-QHCPKHFHSA-N 518.960 6.148 50 1 KKGF O=CC1=COc2c(ccc3ccccc23)[C@]12c1ncccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962567414 GOVPKHQKRYTCOF-JJQXXVEZSA-N 594.623 6.214 50 1 KKGF CCCCCCCc1ccc([C@@H]2C(C#N)=C(C)NC3=C2[C@@]2(c4ccccc43)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1 962682349 XCPDVLBWEAHODN-CREXIDCTSA-N 731.859 10.087 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(c3ccc(N4CCOCC4)cc3)C(Br)Br)c(O)c2C(=O)O1 962942823 CAPQJTYTGHBKMH-JQXXSPQRSA-N 748.852 5.495 50 1 KKGF COc1nc(O)c([C@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(O)c1OC 963185045 KAQNETZOZKRPGC-UPRDQCJMSA-N 615.860 5.533 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(C(Br)Br)C(F)(F)C(F)(F)F 963189121 CDKIPOJDBJJGKF-FUHWJXTLSA-N 538.152 6.318 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](c2ccccc2)([C@@H](Br)Sc2ccc(Cl)cc2)N1 963227480 QBBPBFAEBPRWFI-RNXOBYDBSA-N 539.882 6.244 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCl)(c2c(-c3ccccc3)[nH]c3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368593 RZKFNXUJJNCBQH-ASVWIKLXSA-N 669.177 8.372 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@]12c1[nH]c3ccccc3c1C[C@@H](C(=O)O)N2C(=O)c1ccccc1 963413518 IOVOOMNIFGGWPR-QRQMUESOSA-N 518.730 6.479 50 1 KKGF C(=C/c1ccc(OCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1)\c1ccccc1 1857537616 NPCCVCGATKYNQM-ZQHSETAFSA-N 583.776 9.961 50 1 KKGF Cc1cccc(-n2c(-c3cc4ccccc4oc3=O)cs/c2=N/NC(=O)c2cc3ccccc3oc2=O)c1C 1857584733 URORYONFDKKKDG-NHQGMKOOSA-N 535.581 5.281 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356299419 CSOVFIRORFSVQM-FAHXKGOZSA-N 952.296 10.815 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356300941 PCPSYCJBDXEEQI-QNLVUULHSA-N 918.191 8.413 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](Cc2ccccc2)(CCN3)SSC1 2356320607 UYWAPJPQHJEKLH-GRMGDBHTSA-N 602.822 7.383 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356350539 DZQOMQKIJAGGDJ-HIWQLBLDSA-N 835.190 8.582 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1cc(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c(CCCCC[C@H](Cl)CCCCCC)c(O)c1[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 2356352361 RVFXECPBKXNNPT-MHXJQUQJSA-N 835.988 8.284 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 2356355432 DVPSXLWOFILYRO-ZNEKLGPOSA-N 831.114 5.772 50 1 KKGF CNCO[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356365979 XGAXBIZTVIJEOA-QHCPKHFHSA-N 541.735 6.446 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(OCO)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 2356487279 VOCAZNBKJMRCBC-JGRIXUSZSA-N 922.179 7.546 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CCC6(CCCC6)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356684199 NNXKWDHOIVEJBN-QHYCIKDISA-N 956.274 6.747 50 1 KKGF CNCC[C@]1(O)C[C@H]2C=C[C@H](CCO)[C@@H](C2=C(C)C=O)[C@]12CC[C@H](C(=CC=CC(CCC=C(C)C)=C1CCCCC1)CO)[C@H]2O 2356690978 SIYGGKVWCZSLRK-VEDLPKHBSA-N 621.903 6.286 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@@H](O)C5 2356754004 XUHVNZPANIRAIJ-XVQWWLPRSA-N 824.159 6.999 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](CCOC)([C@H]2CCCC[C@@H]2CNC)NCC2=C[C@H]1CCC2 2356771051 OLVVGKLGQCFKDE-QMAGADOISA-N 968.374 6.745 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNC3=CC(=CCN3)C2)CCCC1 2356818403 DTMAHZFSZDMDPU-RRZZOUDTSA-N 632.892 7.597 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356838537 MAWNJNJOJZCNSV-MIXABNQYSA-N 959.377 9.481 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC[C@H](c2cc(O)c(Oc3cccc(O)c3)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356865592 VKMVBSAWDBNVAM-WUIMFCPGSA-N 613.798 7.092 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43381911 RJGALAVALLVPKP-RMIJPSTDSA-N 522.482 6.436 50 1 KKGF CN(C)c1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 51091124 XRPKKOWZHZOYHW-VXKWHMMOSA-N 597.717 6.745 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@H]1CC=C[C@H](C1)SSC[C@@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 85567729 MAJCRYUUKDOHHU-YAWVDTNMSA-N 706.923 8.640 50 1 KKGF biogenic,in-vitro CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\N=C4/SCC(=O)N4C4CCCCC4)[C@@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118921298 VCPDIYXHXKROGI-YVCCRDJFSA-N 616.400 9.945 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 150347691 TVVAKLWNPKMXLB-UKDGUNJESA-N 945.254 8.810 50 1 KKGF biogenic,in-vitro N#CC1=C(NC(=S)Nc2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 150539898 RRDZOAQEQWUQSJ-AREMUKBSSA-N 624.575 5.973 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCC#Cc3ccc(C#CCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309797 JBBXAQOMVTYUIY-MDMAFYNFSA-N 718.884 6.839 50 1 KKGF Cc1cc(Nc2cccc(Cl)c2)c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2n1 169352619 FHYBDJYYXIBLLC-UHFFFAOYSA-N 542.898 7.868 50 1 KKGF COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 169353487 TZBWLGUYTJUEPK-PMESLRIISA-N 638.893 7.783 50 1 KKGF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O 169362236 WUXSSALNWBMRKU-URDNBUJFSA-N 759.244 5.332 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 169364129 LESKKKIMBKXTJX-HJDHVENCSA-N 909.039 6.329 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 253632521 GFVXUJAOFLGABH-SYPKJVDRSA-N 581.464 5.388 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@]5(C)[C@H]([C@H](C)CCC(=O)O)CC[C@H]5[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 299847510 SDIORNYPOYNSPZ-QKLJHVQXSA-N 648.834 7.132 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c4ccccc4c4ccccc4c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191069 OPPYQCLWQFNHNK-JRAWYEIISA-N 661.887 8.901 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 587313129 FVDPVDYBYSNJOJ-CUYBMWFDSA-N 780.377 5.032 50 1 KKGF O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc1C2 587325476 FYZGQLSPQPEEIY-BVRKHOPBSA-N 547.409 7.017 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331970 KPCCXZJVJKDJCY-YTMVLYRLSA-N 554.376 6.804 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(F)(F)F 587548024 MPZOYLMAUVROKB-SIKLNZKXSA-N 509.274 5.672 50 1 KKGF O=C(O)[C@@H]1C[C@]23[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@]2(C[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl 653764988 PRQKLNWDZMXELK-YKLCQAMKSA-N 643.130 6.196 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1cccc(-c2ncc(C(F)(F)F)cc2Cl)c1 962374152 NZOBECAIPNDYJQ-VWLOTQADSA-N 580.901 7.518 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2cc(F)ccc2O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962712297 OLMFRJGJUUZKQG-QGRQJHSQSA-N 694.548 6.287 50 1 KKGF FC(F)(F)Oc1cccc([C@@]2(CCCCCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962957787 POUHUNIVEQIBBU-HSZRJFAPSA-N 521.929 6.908 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 963192225 ZYGJXYSNNFTVPX-DYVFJYSZSA-N 517.556 5.903 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(c2cc(Cl)cc(Cl)c2)N1 963192227 ZYGJXYSNNFTVPX-GUYCJALGSA-N 517.556 5.903 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2ccc(N3CCOCC3)cc2)(C(Br)Br)N1 963193621 KKBQGOUGCASGSZ-NQIIRXRSSA-N 612.668 5.154 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCOC(=O)/C=C(\C#N)c5ccccc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857570513 BRYHLWFUUNEJIC-BXNJYJBPSA-N 677.882 9.087 50 1 KKGF CC1=C(CO)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O[Si](C)(C)C(C)C)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857611754 AYLOMUZGKUQSBP-OLEUOVMLSA-N 570.843 5.992 50 1 KKGF COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 1857616001 ZMJYLUUUDNJQQW-IBGZPJMESA-N 571.099 7.236 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(/C=C/C(=O)NCCCCl)CC[C@]3(C)CC[C@]21C 1857749893 BRYIXJBWWJMXJN-ZQNWAPIKSA-N 572.274 7.629 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@@H]1CSS[C@H]3CO 2356292154 MNFWHTHZMLKFKD-ZAVDSAJBSA-N 987.294 9.425 50 1 KKGF CCC[C@@H]1[C@H]2C=C[C@H]3C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356309858 URKTWDQXURMLIT-BOWZHXQVSA-N 854.151 9.618 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]3CC[C@H](O)Cc4cccc(c4)[C@H]4CSSCc5ccc6c(c5CC(=O)C(C)=C3CC[C@]2(C)O)[C@H](NC[C@H](O)C4)C(=O)N[C@@H]6N)[C@@H]1O)[C@H](CC=C(C)C)NCC 2356372486 FWAKTYPVRHCVSW-BAVNRGQJSA-N 969.368 7.243 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H](c4ccccc4)[C@@H]4CNC(=N)N[C@]34CCCC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356402267 CTPWPCXVZBRUFH-MJVHWLJDSA-N 623.929 6.053 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C=O)=C3CC[C@](C)(O)[C@@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C 2356435563 GJNUMDKBDYSSDZ-INSBMEKLSA-N 576.865 5.961 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc4c3CC(=O)N[C@@H]4N)=C3CC[C@](C)(O)[C@]2([C@H]1O)[C@@H]3CCCO)CCC=C(C)C 2356450453 VTILEHRSMCABTA-VKTDOJQNSA-N 751.068 6.204 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(CCl)=C[C@H](O)[C@@]4(C)CC[C@]23C)C1(C)C 2356466906 WLMOBFMSWMCZEY-RBLDGSITSA-N 519.210 7.785 50 1 KKGF C=C(C=CC=C(COC(C)=O)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)CCC=C(C)C 2356514886 PCXCPWDHJKSSOL-YTSIGKGGSA-N 528.730 5.541 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356618647 BWSVPZGITRPVOU-NEWHKAEFSA-N 915.266 6.228 50 1 KKGF C=C(C)[C@@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@H](OC(C)=O)CC[C@@]34C)[C@H]12 2356654915 PKAPKLCGHVIAEA-CRGUMBSLSA-N 598.869 6.889 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@H]4CCC[C@H]4CC6)C[C@H]1CC[C@H]3C2)C5 2356657595 MNCMKZRLWJZCDE-XAWNQNBWSA-N 967.396 10.950 50 1 KKGF COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C 2356766940 ISLLQJLZNPHQIS-UHFFFAOYSA-N 582.913 11.966 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1cccc(C2CCCCC2)c1 2356773270 VGJUBNOVYDHLBE-KETXZBSLSA-N 680.037 7.398 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(C(=O)OC)OO[C@]2(O)C4=C3C)C(CC)=C1C 2356819150 DZJFUXNLJISKAL-BQNQGDBPSA-N 901.202 11.807 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@H]1C)N43 2356826323 HITOLLCDOURIST-IZSDHJJXSA-N 677.973 8.038 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356831397 JOSPQESHBOXFTJ-NIRWXWEUSA-N 939.122 5.973 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356840128 KDIJKFZFJJJLNK-TUJOLIIHSA-N 852.201 7.221 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CN[C@H](O)[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356865820 VLIIGAMMWJIJSU-MJGLLTNGSA-N 983.175 6.072 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccccc1)C(=O)Nc1ccc(C)cc1-2 44221352 AKRZNPIBXGJSIK-OZMIJRPQSA-N 507.254 6.870 50 1 KKGF CC1(C)Oc2ccc3c(=O)cc(CBr)oc3c2[C@@H](OC(=O)[C@@]23CC[C@@](C)(C(=O)O2)C3(C)C)[C@H]1OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 58576498 NAAPPVOOQVLSFX-XWVOHUCTSA-N 715.590 5.599 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1 103250406 XNBIBLMRKSUIGK-KVQRLROKSA-N 565.711 5.889 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)Nc1cccc(NC(=O)CC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c1 150595317 MQTWAFDRCVHVNG-UHFFFAOYSA-N 748.914 8.242 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3c4ccccc4c4ccccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053855 AKETXDQWPRNBIZ-HMMYKYKNSA-N 507.424 8.648 50 1 KKGF COC(=O)C1=C(C)NC(C)=C(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H]1c1cccc(Cl)c1Cl 587056803 RRXPWDIJDWDUKB-SFHVURJKSA-N 633.264 8.855 50 1 KKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587499892 WKZRBEWPAZFCPA-WJOKGBTCSA-N 530.068 5.870 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 587555313 KKNJKLUJJSRYHM-UFHPHHKVSA-N 525.935 6.497 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587677441 AIHFMAPJZILCOA-HNEHEIDXSA-N 551.382 7.979 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)N1 587689460 SPPPLLVTRPKVRA-MQWOPBJLSA-N 532.797 5.520 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(I)cc2)N1 587738733 QLYGGWSMWWQRDG-DYZYQPBXSA-N 539.024 5.366 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 962713208 NYQUHLVTNAMHBA-YVEFUNNKSA-N 597.987 6.249 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1cc(F)ccc1Br)N(C(=O)c1ccccc1N)CC2 963137034 GAXOLVMOEQUOPW-RUZDIDTESA-N 578.276 5.525 50 1 KKGF N#CC1=C(N)OC(c2ccc(Cl)cc2)=C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCc2ccccc2)cc1 1857597192 NPOAKDNVUFRFCB-GDLZYMKVSA-N 557.053 7.620 50 1 KKGF COc1ccc(Cc2nnc(NC(=O)/C(C#N)=C/c3ccccc3OS(=O)(=O)c3ccc(Cl)cc3)s2)cc1 1911575437 IJKSVYUOVXIEBN-XDJHFCHBSA-N 567.048 5.104 50 1 KKGF C=C1[C@H](O[Si](CC)(CC)CC)CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]12)C3(C)C 2356335656 CLIVETVICYKYSS-BIGRSYOFSA-N 590.830 6.090 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356359524 MPQCKRHRRIIUME-NSOYTHMLSA-N 803.182 7.898 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356364670 WDWPJIMDFLUPHW-OZHJWAIKSA-N 855.170 5.659 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(CCO)C6)[C@H]4[C@H]2O)O3)c1O 2356374552 YZTMDSAWMHFVOR-LFIXAKSGSA-N 927.238 8.525 50 1 KKGF C=C(C=O)CC(=C)COC(=O)[C@](C)(O)C[C@@H]1CC[C@H](O)[C@]2(C=C(C)C[C@H]([C@H](C)C=C[C@@H]3CC[C@]4(CC[C@@H]5O[C@H]([C@H](O)C[C@H](C)[C@@H]6O[C@]7(CCCCO7)CC[C@@H]6C)C(=C)[C@H](O)[C@@H]5O4)O3)O2)O1 2356460773 IXHIMLDLLGVXHB-GEHAXINVSA-N 913.155 6.374 50 1 KKGF C[C@H]1CSSC[C@H]2C[C@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)[C@H]1CCC[C@]3(C=CC[C@@H](C)C3)[C@@H]1C2 2356545137 MUPJYKHZWITIRP-XAJBRRGGSA-N 561.901 8.814 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@@H](SSCCC[C@@H]3O)[C@H]4O)C=C[C@@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356580516 WPWYHEJIOKBNTR-SDJGFRGBSA-N 990.300 11.021 50 1 KKGF CCCCCCNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@H]3CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C3)[C@@]1(C=CC[C@@H](C)C1)C2 2356635143 SWBWOWATQRACIR-HLBTXXPDSA-N 729.197 11.380 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C[C@H](CO)CC[C@@H](O)Cc6ccccc6)c(=O)oc5cc1O2)[C@H]43 2356826135 HHVUUINRQBOTBJ-NBORKOIASA-N 951.221 5.703 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@@H]([C@@]2(n3ccnc3)CCC3(CCCC3)C2)SSC1 2356856470 SAAQGHSJPVNNRC-MVMAORPPSA-N 702.987 7.795 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@H](O)[C@@H](CCC1)CC2 2356866656 VOEKTCBMXBYCFH-SJDLRKPHSA-N 776.078 5.772 50 1 KKGF CSCC[C@H](N)CSSC[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1 27101564 QXXMSEVVNUSHKJ-SSBOKUKZSA-N 582.857 5.778 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2ccccc2[N+](=O)[O-])C[C@@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 44431474 OXOZGERGLBAMFP-CUNXSJBXSA-N 585.034 5.071 50 1 KKGF CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N/N=C/c2cccc(O)c2O)cc1 73297169 BIBBUYQBCVDPPN-OKCVXOCRSA-N 503.002 5.724 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 85627233 RTCUQKJLIZGMBT-XUHAWNBBSA-N 849.177 7.431 50 1 KKGF biogenic,in-vitro COc1cc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@@]23[C@H](Cl)C(=O)N3c2nc3ccccc3s2)ccc1O 102934121 VNDOCQLTUJVVEX-YTKSUBNCSA-N 551.455 6.294 50 1 KKGF O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@@H](Cl)[C@H]2c2cccc(Br)c2)o1 103185591 JAGFYKJQSKNKIK-FCHUYYIVSA-N 573.230 5.991 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1cccc(Cl)c1 103950292 ISFPQKIUMBFERY-GOSISDBHSA-N 540.813 5.579 50 1 KKGF C[C@]12CC[C@H]3[C@H](CN=C4[C@@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 169714195 QJUSGHZQXLBGAH-CRLZBLFJSA-N 529.563 5.717 50 1 KKGF Cn1nc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c2c(-c3cccc(OC(F)F)c3)ccnc21 587130697 OQDRLIDPRSTCQE-UHFFFAOYSA-N 596.326 8.200 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 587326810 NCENZUWGDDCGBV-XTEPFMGCSA-N 510.392 7.085 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCCO2 587546742 XKVDJRCFBKOYAB-GGXMVOPNSA-N 517.965 5.667 50 1 KKGF Fc1ccc(Br)c([C@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962649236 ZSIPGTPOWRJBPZ-BWKNWUBXSA-N 530.279 5.974 50 1 KKGF CCCC(=O)Nc1ccc([C@]2([C@@H](C)Cl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963011765 OJGVXSWGMCLOIH-HWARQJHGSA-N 578.496 6.583 50 1 KKGF CCc1ccc2c(c1)[C@]1(C(C#N)=CO2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079832 QIJYJQPNEXQPRI-CHGHPAACSA-N 754.732 8.249 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2ccc(-n3cc(Br)cn3)cc2)N1 963166308 WGVGLXROGWCJBV-LFGICVIVSA-N 763.534 7.554 50 1 KKGF COc1cc(N[C@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccsc1 1857640397 VFQKFCZZPNDWTG-SUDTXLHZSA-N 633.855 8.091 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSSC[C@H]1O2)C5)CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356292112 KVBTTYUPZIUICB-WVZIWGLSSA-N 900.132 8.112 50 1 KKGF CCCCC[C@H](C[C@H](C)O)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356306321 KUCLUCARBMVCOU-IJOAPTQGSA-N 960.316 10.124 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]2O)c(O)c(OC)c1O 2356350246 YHKHYVBCLUKDQR-FUPWRYQSSA-N 686.845 5.811 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56C=C[C@](O)(CO)C[C@]5(CCC6)CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356352302 QWYWGHFWVFZVAH-WGQSTZIWSA-N 994.289 8.384 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c1O 2356369151 VTWHRWSAKJHWQU-AUSZPPGZSA-N 712.927 7.694 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H]([C@H](CCc3ccccc3)SSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]21C 2356419271 LVEXCXWMPTZWQP-SOETWKMISA-N 749.096 7.611 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@@H](O)SSCNc3cc(ccn3)C2)CCCC1 2356485916 YDIDXBMHTPRVGZ-UDRZNVOXSA-N 714.994 9.175 50 1 KKGF C=C1CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@H](C)CC=C(C=O)[C@H](C)CC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C 2356551312 ZDANNBYRXLXFSO-YONISRBASA-N 622.931 10.061 50 1 KKGF COC(C)(C)CC=CC(C)=CC=CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C[C@@H](O)CC1(C)C 2356585109 DFOYVSCLGRVGJK-KXQOOQHDSA-N 596.896 10.547 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 2356634482 IBSGZOIVJBTMKX-UQVNRYHBSA-N 629.342 8.252 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@H]2O)c1ccc(NC[C@@H](C)O)c(CO)c1 2356668925 HDMUASCQPLURIQ-IODPZFEQSA-N 762.991 6.831 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@H]12 2356725557 OTKPVUYWKFTWPI-HKKKMMFOSA-N 692.978 9.298 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356774880 FFOFEJQGYYMGND-UBHARZPJSA-N 816.234 7.200 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@H](O)C2CCCC2)C1 2356856169 RXZXZMRUPZGBHU-IWIOMDGUSA-N 931.319 6.454 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCCBr)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@H](O)CC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 49768066 XPFGMMVYPJCLRS-QCVOXTJUSA-N 577.688 8.477 50 1 KKGF CCCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 58543079 JECQBHPHBSTJDJ-DGBYXFBUSA-N 591.528 6.220 50 1 KKGF COc1c(O)c(OCCC(C)C)cc2c1CC#C[C@H]1SSCC[C@@H](C)CC[C@@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 85567679 XPFDXDVSOSRJAQ-LKTFUZAESA-N 762.987 7.450 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 85594604 NAUAOGFHRBTSGZ-NSKKMRPTSA-N 757.975 6.559 50 1 KKGF biogenic,in-vitro COC(=O)[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2)C(C)C 103231914 GTNKORAVWOMXTR-FXYJOLHASA-N 604.832 6.520 50 1 KKGF CCCCCCCOc1c(C(=O)N/N=C/[C@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCCCCCC 169300222 NIPQZZZUZUCLPI-BGDOLBIASA-N 789.193 11.337 50 1 KKGF O=C(NNCC1=NN(c2ccc(F)cc2)[C@@H]2[C@@H](Cc3cccc4ccccc34)CCC[C@@H]12)c1ccccc1 169721760 VFSFNUMQKVBATF-JEVIFJNESA-N 506.625 6.117 50 1 KKGF COc1cc(C(=O)OC[C@H](O[Si](C)(C)C(C)(C)C)c2cc(OC)c(OC)c(OC)c2I)cc(OC)c1OC 195384886 SPZKXRZKGJASTJ-NRFANRHFSA-N 662.590 6.263 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518617 WGSGYYQEICONIP-JTHLAKFHSA-N 529.383 5.915 50 1 KKGF CC(C)(C)N1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 207725796 QMASBPPNEAZIMQ-KTTQDFBCSA-N 665.818 5.815 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299830024 LTLNAIFGVAUBEJ-TYLHYESASA-N 826.475 6.085 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190559 PLFPBQKAPBBWFW-UTDOBGAJSA-N 710.938 5.616 50 1 KKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321125 IKQPRLNVQXLHFW-UPVQGACJSA-N 505.767 6.151 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332152 JESBPVVIONYLPG-QWVRVUPNSA-N 534.990 6.428 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(I)cc2)[C@@H]1c1ccc(F)cc1 587337730 OQEXDFGBQQIXNX-IFMALSPDSA-N 508.714 5.629 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587672018 CJVQKHAZQIEMKN-BIBXISHDSA-N 516.205 5.240 50 1 KKGF COc1ccc(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)cc1 653699190 DHQCMBZZVARCNU-HPNXWYHWSA-N 601.679 6.594 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)(Cc2cccc(Br)c2)N1 963158967 DHZCDMVLQOAOHJ-MSEJLTFDSA-N 667.047 7.406 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)[C@@H](Br)C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 963177678 VLLDODVCPAHNEA-SDOCFOIKSA-N 788.871 8.939 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 963702447 JPPJKQCLAPOLHP-NIPSRNASSA-N 789.341 6.141 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946307 DAQSXQGPRUMJHQ-KMUFTJMYSA-N 803.801 6.263 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOCCOC(=O)NCCCCNC(=O)OCCOCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772574887 CZUDJKMCROZBPU-FIQAXSAESA-N 885.058 5.701 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356321531 WZOIYUSZMPIIOC-QDGAXTEHSA-N 834.117 9.713 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2CC[C@H](O)[C@@]3(CCCC[C@H]3CC#C4)SSCCC[C@H]2O)cc(Cc2cccc(O)c2)c1O 2356321635 GRDNJQVVFANXMA-CXFCNDGBSA-N 772.982 8.181 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@H](O)CCCCC)CCC=C(C)C 2356387945 MADNRNGLRBRRDV-RDWYLJQVSA-N 556.828 6.919 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C)CSSCNc3cc(ccn3)C2)CCCC1 2356426091 POEXFCCHSZDDPU-IXGOBNMUSA-N 630.876 8.296 50 1 KKGF C=CC=CCC[C@@H]1O[C@@H]2CC[C@]3(C)O[C@@H]4[C@H](O)C[C@]5(C)O[C@H](CCC=C(C)C(C)=CC=O)[C@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@H]2CC[C@@]1(C)O 2356452967 JPBOABGEVHVPNM-YYTUEBMISA-N 656.901 6.476 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1ccccc1 2356737276 HYSDATPFPIBJQV-KMCFJHSXSA-N 581.892 6.522 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(N3C=CNC3)CCCC2)SSC1 2356818058 DQCKVDVFZAWWEK-UGDMGKLASA-N 622.857 6.400 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNC3=CC(=CCN3)C2)CCCC1 2356837530 LKFQXFGFMJXHPB-PQPNNZLFSA-N 648.891 6.915 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@@]1(N3C=CNC3)CCC3(CCCC3)C1)c1cc2cnc1N 2356870690 XTSZEWNQWYMCOJ-WRHGBPORSA-N 700.971 8.049 50 1 KKGF CCCC[C@H](C(=O)O)N1C(=O)[C@H](CC(=O)NNc2ccccc2)S[C@H]1c1cccc(Oc2ccc(C(C)(C)C)cc2)c1 27762597 CXIQAHVMKNGONG-XHWIWGEHSA-N 589.758 6.896 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@H](N=C(N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCO)[C@@]42CC3=O 85549551 AQTFHYRYBXDDQP-QWKMPMBPSA-N 519.821 5.751 50 1 KKGF biogenic,in-vitro Clc1ccc(Cl)c(CNc2ncnc3c2cnn3C[C@H](Cl)c2ccc(Br)cc2)c1 96272504 PDDYRPIWPJYVCR-SFHVURJKSA-N 511.638 6.488 50 1 KKGF N#CC1=C(NC(=S)Nc2ccc(Br)cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 150548584 PEZAZDNFBHUAQP-SANMLTNESA-N 703.471 6.736 50 1 KKGF CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCCc2ccccc2)N2C[C@H](Cl)CC(C)(C)C2)C1 299871127 XUZGGFXWWABXAF-SDHSZQHLSA-N 511.578 5.990 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 299881218 NPKIGTFHXVQKJH-DDQKUXSZSA-N 703.021 8.567 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](Cc4c[nH]c5ccccc45)NC(=O)CCl)[nH]c3cc21 587009727 PHBYFGMVMOURHV-DHUJRADRSA-N 717.270 7.943 50 1 KKGF COCCNC(=O)[C@@H]1CCCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587230541 HPTWHRWXEPGOOB-VXGBXAGGSA-N 506.335 6.019 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(F)cc(C(F)(F)F)c2)[C@H]1c1ccc(F)cc1 587327463 GQNCYKPOIAEKRX-UNMCSNQZSA-N 513.256 6.339 50 1 KKGF COc1cccc(-c2cc([C@@H](Br)Cc3cccc(Cl)c3F)nc3c2oc2ccccc23)c1 587360723 RTKZVRLTOXFRGC-FQEVSTJZSA-N 510.790 8.128 50 1 KKGF CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587686586 VXXPNNUKHFCIGA-IURAIUDVSA-N 667.487 7.979 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 587710943 HYQLOFMZKVJOLZ-QPFGOUBPSA-N 517.105 6.058 50 1 KKGF Cc1ccc(C)c([C@@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)c1 962947767 KEINHVVBADSMJT-VRKZSPICSA-N 612.904 5.554 50 1 KKGF O=C(O)c1ccccc1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963006178 HXIDSUNNARKEML-WXVAWEFUSA-N 567.823 5.310 50 1 KKGF COc1ccc([C@@H]2c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OCCCCl 963079742 PLUDFCHNCLFJLQ-PILPWRDFSA-N 784.198 8.749 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2ccc(C(F)(F)F)c(I)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963082993 NHMFXTVXIALDKX-AEGYFVCZSA-N 948.463 9.905 50 1 KKGF CC1=C(CCCl)C(=O)N2CCC[C@@]3(c4ccccc4C[C@@H](C(=O)O)N3C(c3ccccc3)(c3ccccc3)c3ccccc3)[C@@H]2N1 963101736 VYSNQMVNGJOZOZ-LVCCDNIOSA-N 632.204 6.640 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cn(CCC#N)c3ccccc13)N(C(=O)c1ccccc1N)CC2 963154471 KXTAINLQDJFCJU-SSEXGKCCSA-N 529.040 5.335 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](C(=O)Cl)(c2c(C)[nH]c3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367161 NBGKFLKQGQDSIJ-NWWLCHBLSA-N 621.089 6.540 50 1 KKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccc(Br)cc12 1857619456 JLCYNQQFWWVUED-XIFFEERXSA-N 618.443 5.847 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)CBr)CC[C@]43C)[C@@H]12 1857640091 URVYZSONBHSKCT-GKMZBMDBSA-N 588.627 7.080 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CC[C@@H]8CCC[C@@H]9CCC[C@@]9%10CC[C@]87C%10)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356362960 ITHDMOILASLOCD-YQIYSHBVSA-N 995.307 8.915 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356364554 YOJJLWYJQIKEPC-BYVZSAKJSA-N 571.849 6.072 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c1O 2356369155 VTWHRWSAKJHWQU-KEALHMQISA-N 712.927 7.694 50 1 KKGF CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(CC3=C[C@@H]4[C@H](C(C)C)CC[C@@](C)(OO)[C@H]4CC3)C(=O)[C@@]1(C(=O)C(C)C)C2=O 2356437028 DXFWUAWSMRONLI-NGAGAPFLSA-N 773.152 12.390 50 1 KKGF CN[C@H](O[C@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 2356666778 PCTCERRTFMFNGU-DMGKDQJYSA-N 734.937 6.651 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H](C=O)[C@@H]1C=O 2356724991 GFRJMNBJHKMTDR-PPVSAETRSA-N 590.889 8.887 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1C[C@@]1(C)[C@H]2Cc3cc(C(=O)O)ccc3OC=C2CC[C@H]1Br 2356793660 HKBWFRBRBGEOPF-HBAQJFKASA-N 570.362 6.724 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CN[C@H](O)[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356818595 DUKRIICPEYRVKR-RFDIUODCSA-N 955.121 5.291 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@]4(C=O)OCSSC[C@H](c5cc[nH]c5)[C@H]([C@H]5CC#CCCCc6ccccc6C=CC5)CNC[C@@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356819887 FGAWZSLQHORRCI-OAGRDZGWSA-N 936.074 5.619 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356831959 HYNQEMLYTDBECY-JTIPUCNRSA-N 857.016 6.372 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1 27632831 HERUQNURJZVWCX-FQEVSTJZSA-N 579.875 5.685 50 1 KKGF CCO/C(O)=C1\C(C[S@](=O)c2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 43260647 HYVIYZLGCOJNSV-XTOWRMJISA-N 531.556 5.613 50 1 KKGF C/C(=N\NC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(C(C)(C)C)cc1)c1cc(Cl)cc(Cl)c1O 44418615 OMOPTJZOSHEQDJ-KCSSXMTESA-N 535.475 7.062 50 1 KKGF C[C@H](Cl)CC(=O)NC1=C(C#N)[C@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 66066427 HFQMCPMALUEUGH-BSEYFRJRSA-N 593.920 5.120 50 1 KKGF CN(CCCCCl)[P@](=O)(C[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl)OCc1ccc([N+](=O)[O-])cc1 72118873 XGDDLHOUDZFWKV-LPBIOIJUSA-N 653.437 7.482 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H](C[n+]2cc[nH]c2)SSC1 85596453 GWEMVLOADAVMGN-IAFMXWEJSA-O 593.795 5.774 50 1 KKGF biogenic,in-vitro COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl 95547554 KESOTUPYRYBZQD-RQSUCDOFSA-N 745.741 6.249 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@@H]3CCl 95550819 DEQTWOWKTWQYEE-XZOQPEGZSA-N 749.692 8.308 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)OC)[C@@H]4CC[C@@H]3C2)OO1 95578711 ACNYVFIEXLRTMJ-AJVDZHGWSA-N 568.770 8.130 50 1 KKGF O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@H]([C@H](Br)Cc2ccccc2)N1Cc1ccccc1 98082517 HZQKKLCDSRMIMN-ZRTHHSRSSA-N 569.543 6.471 50 1 KKGF O=C1C=C(NCCCCCCCCCC[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)C(=O)c2ccccc21 102976456 STSQWAFYNYFRQW-UHFFFAOYSA-O 628.695 8.071 50 1 KKGF Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cc(Br)ccc2n1 103201749 QUNPRJKGHYDACV-YTJKISDPSA-N 622.560 7.339 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCCC2 103950589 JZUKLCBHXUJCDG-NRFANRHFSA-N 535.450 6.445 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCCCCCN=C=S)CC[C@]4(C)[C@H]3CC[C@@]21C 118933907 QGWGVBRWMAFYLJ-NHPGLVMDSA-N 527.903 10.076 50 1 KKGF C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@H]4O[C@@]2(C)CO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169303974 RPVOJEKMAVTVFM-DDDBFCJXSA-N 550.689 5.216 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4cccc(Cl)c4)c4ccccc34)sc2c1 299858292 GGNCZROVITZLSH-IPPBACCNSA-N 517.058 6.170 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCNCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473090825 ASCTYTFUZJAWHG-AZPHZNMVSA-N 532.081 5.114 50 1 KKGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587496997 HBNKRAIVZIVZFL-YTLHAORQSA-N 553.140 6.523 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587538921 SDQAMVPAHZIEQL-XSAAGGACSA-N 577.515 6.998 50 1 KKGF COc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(F)(F)F 587548022 MPZOYLMAUVROKB-KNQAVFIVSA-N 509.274 5.672 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n2)cc1OC 587614498 SSBUGZITUHDUKV-VATSPWTOSA-N 549.004 5.779 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962714830 SZPRVPRBTPMHCJ-DCFHFQCYSA-N 515.481 6.312 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccc(/C=N/NC(=O)c5cccnc5)cc4Sc4ccc(C(F)(F)F)cc43)nn2)cc1 1857602789 ZJBWGDALCRJASZ-NOPDUFPGSA-N 610.625 6.179 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356356131 JGTPVOIBCYVSEC-LHEUVZDASA-N 718.089 5.963 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)CC[C@]6(O)C[C@@](CO)(NC(=N)N)CSSC4)O[C@H]21 2356637765 DQARFAIBZBVDAZ-KJUOCRRSSA-N 738.929 5.308 50 1 KKGF CNCC[C@]1(O)C[C@H]2C=C[C@H](CCO)[C@@H](C2=C(C)C=O)[C@]12CC[C@H](C(=CC=CC(CCC=C(C)C)=C1CCCCC1)CO)[C@@H]2O 2356690979 SIYGGKVWCZSLRK-WUVWMGHMSA-N 621.903 6.286 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1C1=CCN=C1 2356871795 YLCVMWQVNKGVGF-OTJJZPLWSA-N 858.024 5.496 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)[C@H]1OOC2(O1)C1CC3CC(C1)CC2C3 64453550 YKOSGVMANWCNEM-RRRIGXKRSA-N 576.734 5.902 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3ccc(F)c(Br)c3)c2c1 72173077 DFZKNEISARNMDG-UHFFFAOYSA-N 592.300 7.203 50 1 KKGF C=C(c1ccc(Br)cc1)[C@H]1OOC2(O[C@@H]1c1ccc(Br)cc1)C1CC3CC(C1)CC2C3 95580937 IBVQTDSVKZJUMX-ILBHZYPYSA-N 546.299 7.466 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 101159199 COQAPWLZSHQTKA-FHBUOPCUSA-N 544.644 5.627 50 1 KKGF in-man COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]3CC[C@@H](C[C@H](C5)c5cc(O)ccc5-4)[C@H](C)CCSS3)[C@H]2O)c1O 150342899 VKONUJCOSYXSTI-CEYOBLCTSA-N 738.965 8.083 50 1 KKGF biogenic,in-vitro CC1(C)CC[C@]2(C(=O)NCCCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 169349037 XXYWFFFNGNMCNB-HWQDQFOZSA-N 816.166 7.725 50 1 KKGF N#Cc1ncc(Br)c(N(NC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)C2CCCCC2)n1 169352981 NYIWOHLKXIATLO-UHFFFAOYSA-N 602.530 5.230 50 1 KKGF O=C(NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1)NC1CCCCCCCCCCC1 299829504 LGYLSADFPRNDIL-UHFFFAOYSA-N 530.757 7.320 50 1 KKGF Cc1ccc(S(=O)(=O)OCCOCCOCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586957816 DBPSTBZIOIOEII-UHFFFAOYSA-N 595.406 6.230 50 1 KKGF O=C1c2ccccc2[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 587053898 DYBJQGIVNXWSQV-NOZRDPDXSA-N 681.352 10.561 50 1 KKGF NNC(=O)c1ccc2nc([C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 587054542 IFMZNDXNYHZHLR-DQEYMECFSA-N 534.447 5.745 50 1 KKGF CC(=O)N[C@](C)(c1cccc(C(F)(F)F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587114144 WMGPXZXSWXTUBM-QGZVFWFLSA-N 552.285 7.401 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCC3=O)cc2)[C@H]1c1ccc(F)cc1 587322162 LMNFJFADVFRQSK-AHWVRZQESA-N 510.359 5.307 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587496979 HAGBPOIAXJQZJD-PEGYKEAPSA-N 520.412 6.238 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587717908 MMPZFUJJSYPZCF-YNGXGCTQSA-N 681.058 6.865 50 1 KKGF COc1ccc(/C=C/C(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)[C@H](OC(=O)/C=C/c6ccc(OC)cc6)C[C@@H]([C@H]2C)[C@]53OO4)cc1 653697856 VYBQYGPDNHHZKI-ZDSXVKLSSA-N 620.695 5.703 50 1 KKGF Cc1ccc(/C=C/C(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)[C@H](OC(=O)/C=C/c6ccc(C)cc6)C[C@@H]([C@H]2C)[C@]53OO4)cc1 653714302 ZPVKTUAJPOMTGP-DLZSTMQXSA-N 588.697 6.303 50 1 KKGF COc1ccc([C@@]2(CCCCCCCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 962400547 FZLGFIVRDGZXIQ-XLWWBGEVSA-N 655.191 7.792 50 1 KKGF Cc1cc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)c(C)cc1Br 963447602 LGKGAJUWJPXOCA-CUBQBAPOSA-N 551.868 6.181 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCOC(=O)/C=C(\C#N)c5ccccc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857586663 XZYIUMLLMBIYST-YFWZQULISA-N 649.828 8.307 50 1 KKGF COc1cc(CCCOC(=O)CCCc2ccc(N(CCCl)CCCl)cc2)cc2cc(-c3ccc4c(c3)OCO4)oc12 1857637128 QNWKHDAGZBZFQA-UHFFFAOYSA-N 612.550 7.620 50 1 KKGF CC[C@H](Cl)CC=C[C@H](O)[C@@H]1O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@@H](OC)c2nc(C(C)=O)cs2)[C@@H]1C 2356323242 AUXCARRWWRCVMM-SOUTYYNUSA-N 619.435 5.715 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@@H](C)O 2356351905 HQLOGJHLODEXRU-KJERHLFJSA-N 951.398 6.854 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C3CCCCC3)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N[C@@H](C)O 2356355542 GDWMPZLNNABWEH-IUJFVIPSSA-N 993.479 8.169 50 1 KKGF COCCC[C@@H]1CCCC[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC4 2356362959 GOHRRKBBLYFFGZ-KOQCKHFKSA-N 903.221 6.270 50 1 KKGF CC[C@@H]1C=C[C@]2(c3cc[nH]c3)CSSC[C@H](c3cc(O)c(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@H]2C1 2356363709 OKPTYTCLMYWRKU-KMVWTOBCSA-N 545.723 5.734 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356368289 OHABMJGSMXJYBE-KEWLUYAWSA-N 910.249 8.008 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](OC(=O)c3ccccc3)O[C@H](OC(=O)c3ccccc3)[C@@H]12 2356773298 VXAJNBQWNZNVQK-NUFSWFEQSA-N 817.120 11.886 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356776067 DBHDZCWYRBOHMR-JZOIQKTGSA-N 937.316 8.014 50 1 KKGF CC(=O)OC(C)(C)[C@H](C)[C@H](C)CC(C)=C1[C@H](OO)C[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356799549 UOFXQDRLLWOZKL-UWOOSBGQSA-N 536.750 5.264 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC5(CCCC5)[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@@H]1CO)N43 2356829437 IYGLSPFEEPOFST-ZMRGOOQGSA-N 818.155 8.324 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)CSSCNC7=CC(=CCN7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356832060 JTDNTVMMGBUUSA-LUGLUTTMSA-N 658.930 7.987 50 1 KKGF CC(C)CCc1cccc2c1CSSC[C@H]1C[C@@H](CC[C@@H]2CCc2ccccc2)CN2C[C@H]3[C@H](CC[C@@H]4[C@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]43C)[C@@](C)(O)[C@H]12 2356834211 KMFQARLVEHMHSY-KNGXUPDNSA-N 800.272 10.565 50 1 KKGF Oc1cc(O)cc(/C=C/c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1 42808735 VLWYDTAYPRAXCP-VHEBQXMUSA-O 545.639 7.421 50 1 KKGF CC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@H]3CCl 49745234 VOKGXYWYOIEEEQ-LJQANCHMSA-N 535.000 5.355 50 1 KKGF Cc1nc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)sc1C(=O)NNC(=O)NC(=O)c1ccc(C(F)(F)F)cc1 49780554 NEBOKDKFXPUVNX-UHFFFAOYSA-N 643.022 6.567 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(CC)CC1)OO2 58581829 AEGIAYOUUBPRGS-BOGXJGEOSA-N 631.895 8.032 50 1 KKGF COc1ccc([C@H]2N(c3ccc(C)c(N=C=O)c3)C(=O)N3[C@@H](c4ccc(OC)cc4)N(c4ccc(C)c(N=C=O)c4)C(=O)N23)cc1 73388307 VOIIMXSUAHAOAY-ACHIHNKUSA-N 616.634 6.752 50 1 KKGF Cc1nn(-c2ccccc2)c2c1[C@@]1(C(=O)N(CCCCCCCCCCBr)c3ccccc31)C(C#N)=C(N)O2 98083894 QWLQUZCEMPDQGC-HKBQPEDESA-N 588.550 6.415 50 1 KKGF O=C(CBr)Nc1ccc(Cn2c3c(c4ccccc42)C[C@@]2(O)[C@@H]4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1 162181696 BQROMVZIEGHMFK-HDLUQUBHSA-N 640.578 5.428 50 1 KKGF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)c21 587030483 FMWDDEBMQWIPLQ-LLVKDONJSA-N 538.405 8.942 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccc(Br)cc2)(C(Br)Br)[C@@H]1c1ccc(F)cc1 587319671 CNFUIPXKMYWLJD-DENIHFKCSA-N 585.061 6.664 50 1 KKGF CCCCCCCCc1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327017 OCVAZFZSKVYNGM-VEEOACQBSA-N 509.061 8.318 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2scc(Br)c2Br)[C@H]1c1ccc(F)cc1 587376143 OUEQGRWXKYGNPV-JXFKEZNVSA-N 591.090 6.767 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc2ccc3cccc4ccc1c2c34 587539272 VDAXNDSYHDSBEM-IZEXYCQBSA-N 535.393 7.542 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 587710975 IITVOCACBYKTFU-VVVCHXIZSA-N 549.122 6.799 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(SC(F)(F)F)c2)N1 587721416 PZRWKKWUKIRDLM-QGHHPUGFSA-N 513.192 6.373 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc(C(=O)[C@@H](Cl)C(=O)c2ccc(Br)cc2)cc1 587904892 BWZRBLMKQINMOK-JOCHJYFZSA-N 502.191 6.184 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587958355 FLFSTTSUROVIEB-KTKRTIGZSA-N 615.635 12.733 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C(C)(C)C)cc1)([C@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679005 NBZSHUZXTLRBOH-WWOZWPLTSA-N 560.056 7.590 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(C(C)(C)OC)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679221 PXAGFLJADJLILS-QHCPKHFHSA-N 530.381 5.436 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)c1oc2ccccc2c1NC(=O)[C@@H](C)Cl 962987167 LYDLOMVRELITND-WHUARKNTSA-N 609.506 6.590 50 1 KKGF Cc1cc([C@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 963706136 ULQVKHQTZAOYFK-KGTVSZMUSA-N 691.637 5.953 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)COC(C)=O)CC[C@]43C)[C@@H]12 1857648583 KUAUMMONUAFZMY-BUVPLSRSSA-N 567.767 6.248 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4cccc([N+](=O)[O-])c4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4cccc([N+](=O)[O-])c4)cc23)cc1 1857750217 RBLYSHSKBRKACD-PFUSVQNESA-N 718.730 7.482 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N[C@H](C)O 2356360778 NXBNVXWYSWMPRL-UDIBWJBWSA-N 925.360 6.608 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@@H]([C@@](O)(CCCCO)C2CCN(CCCOC)CC2)O3)O1 2356435623 IDPGXIHUIDHSMJ-LIZRBBLASA-N 915.090 5.206 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)cc(OC)c1O 2356538876 UIPOWAZXHADFPA-LULBRASTSA-N 634.816 7.519 50 1 KKGF CC=C1CN2CC[C@]34C(=C(C=O)[C@H]1C[C@@H]23)Nc1ccc([C@H]2C[C@H]3C(=CC)CN(C)[C@@H](Cc5c2[nH]c2ccccc52)[C@@H]3C(=O)OC)cc14 2356592686 GVJFCBIQWCVYNY-MADHHGQYSA-N 628.817 6.082 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356709303 YADGZZKEMOAYDU-JETBCHNHSA-N 843.159 5.841 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356741204 UXOKFKROLQSZEM-NTWXMTRLSA-N 761.101 6.994 50 1 KKGF COc1cc2c(cc1OC)C(=C(C=O)c1cc3c(cc1Cc1ccc(C[C@@H]4c5cc(OC)c(OC)c(OC)c5CCN4C)c(OC)c1OC)OCO3)NCC2 2356744357 YFNGFDLAUMVQDZ-MGBGTMOVSA-N 752.861 6.051 50 1 KKGF CNCc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356775333 KHLZZQMMPGZEGK-ITOGMFPUSA-N 739.105 6.265 50 1 KKGF C[C@@]1(C2CCCCC2)CC[C@H](O)[C@]23[C@H](O)CC[C@]4(C)CC[C@@H](SSC[C@H](Cc5ccccc5)C4)[C@@H]4CC[C@H](Cc5ccccc5)C[C@@]45CC#C[C@@](C)(C[C@@H](OC5=O)[C@H]12)[C@]3(O)CCC1=CC(=O)OC1 2356776749 YXFAOHQAZAGKGD-FSQBZODBSA-N 963.400 11.653 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@H]1CO)N43 2356847984 PBJWUKPZQYQMLD-BLTVISFXSA-N 764.063 7.154 50 1 KKGF CCCCNC(=O)OCCN=C1c2ccccc2[C@H](Br)[C@H](Br)c2ccccc21 1643737 BQJOURWTNCHPKQ-BGYRXZFFSA-N 508.254 5.936 50 1 KKGF O=C(OC/C=C1\C=C(OC(=O)c2ccccc2)/C(=N/N(C(=O)c2ccccc2)c2ccccc2)O1)c1ccccc1 5841787 NJJPNPFXKXYMPU-VWONKJOKSA-N 544.563 6.159 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCCCCCCC[C@H](Br)CBr)CC[C@]4(C)[C@H]3CC[C@@]21C 49784551 LVBCYMBGHTVSCQ-QLDGRWCZSA-N 712.736 12.219 50 1 KKGF CCCCCCC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 49832987 JUHDXMFVSBYYOZ-MFMCTBQISA-N 683.629 6.459 50 1 KKGF C=C1C(=O)O[C@H]2C/C(C)=C/CC[C@@]3(C)O[C@](C)(CC[C@@H]3I)[C@@H](I)C[C@@H]12 73353113 ABJVPMGWAANYLW-IGWMKULSSA-N 570.249 5.540 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@H]3CC[C@@H]2[C@H](C)CCCOC(=O)N(CCCl)CCCl)C1 95549025 OLBRUINDIWQMQU-DLVQYGTQSA-N 793.058 13.847 50 1 KKGF COc1cc(C(=O)NC2=C(C#N)[C@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc(OC)c1OC 150559129 LAKGHELTFLERAS-NDEPHWFRSA-N 683.570 5.443 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587009770 ROQDMAWOGLQLIW-INIZCTEOSA-N 515.717 5.344 50 1 KKGF COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)cc1 587057905 WMOUIGGMZNGNRJ-ZHZULCJRSA-N 592.508 7.151 50 1 KKGF O=C(Cl)c1ccccc1[C@@]1(c2ccc(-c3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324475 QWJNQJABFKVCOE-AFPLUKJUSA-N 548.997 7.880 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 587673539 NWQGVANPHVAIBZ-LFPIHBKWSA-N 566.696 6.401 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587709895 CWYBTHFBFHUDNN-MYODQAERSA-N 564.248 7.685 50 1 KKGF CCC(=O)O[C@]1([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587715317 HJLPIDOVOYDSBA-IPGHWVRISA-N 681.058 6.865 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCCCCl)(c1cccc(C(F)(F)F)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962635105 UFOBFNAFOSHGGW-HOFKKMOUSA-N 554.005 6.807 50 1 KKGF FC(F)(F)c1cccc2c1[C@](CCCBr)(c1ccc(Cl)cc1)NCC21CCOCC1 962948578 AXFNMNKSEGYPCM-QFIPXVFZSA-N 502.802 6.429 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CCCCCCl)c3ccc(F)cc3)c(O)c2C(=O)O1 962974823 TYWIKJXMNPABJY-JOZUDPJUSA-N 614.497 6.481 50 1 KKGF COc1cccc2cc3c(nc12)[C@](c1ccc(Cl)cc1)(c1c[nH]c(C(=O)NNc2ccccc2)c1)NCC3 963050029 CLZLQMKUMQWXFE-PMERELPUSA-N 524.024 5.419 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2ccc(F)c(OC)c2)N1 963163928 SLKRQDHBRMPNEP-LBHUVFDKSA-N 666.591 6.753 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(c2cc(C)n(-c3ccc(C)c(C)c3)c2C)N1C(C)=O 963319015 XMDQEAVKHIFTPG-MDHXRGRUSA-N 829.372 6.997 50 1 KKGF COc1ccc([C@@]2([C@H](C)Cl)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)cc1 963726862 AWAKOPARMJAJKF-PBYQXAPXSA-N 533.024 5.332 50 1 KKGF COc1ccc2c(c1)[C@@]1(C(=O)N2Cc2ccccc2)C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857535857 HUAADGARXCMTME-UUWRZZSWSA-N 569.573 5.093 50 1 KKGF COC(=O)/C(C#N)=C\c1ccc(OC)c(OCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c1 1857553064 RGIVKYDJWALOMV-AJHYUEMLSA-N 709.880 8.324 50 1 KKGF Cc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857608059 KCNJNYAVAJCBNN-LHGWWSMPSA-N 580.084 6.635 50 1 KKGF CCn1cc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c2cc(-c3nc(CN4CCCCC4)cs3)ccc21 1911578909 ZUVLFSKTCKQEJO-IPPBACCNSA-N 515.639 5.263 50 1 KKGF C=C1C=CC=C2[C@H](CCC[C@@H]3C[C@@]4([C@@H](O)[C@@H]23)[C@H](CCCO)C(=C(C)C=O)CC[C@]4(C)O)OCC#CCC(C)=CCC1 2356361296 YDGMHVQMNWFQPU-VQIJPQRFSA-N 562.791 6.160 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@](C)(O)[C@@H]2CCN(CCCOC)[C@H](CC)C2)O3)O1 2356363440 JVDINYXAHPHUIU-RTCFVAJTSA-N 885.064 5.841 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC4CCCC4)C3)c2O)C12CCCC2 2356464042 VAOADXUHWLTMNU-MOPISOGESA-N 921.324 10.414 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSS[C@H]6C=Cc7c(ccnc7N6)[C@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356605016 OKBJBIAVNVSUPT-JDVJONPMSA-N 709.890 6.987 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356682932 BBYHPXZSKHVDTB-WKJKYZRISA-N 877.220 7.291 50 1 KKGF CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)C[C@H](OOC[C@](O)(Cc1ccc(O)c4ccc(O)cc14)[C@H](O)[C@H](O)[C@H](O)CO)[C@@]1(CC=C[C@@H](C1)[C@H]1CNC(=O)[C@@]14CCC[C@@H](CCC3)C4)O2 2356818053 DQBZCIYDZJSPNJ-GEVHWGBHSA-N 974.117 5.765 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356857016 SFQRQLHGRMRFJF-DBPLAVNHSA-N 675.873 5.403 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@@H](c2cccc(O)c2)SSC1 2356863635 VHHUEMMKDJEWCT-UQAKKXKOSA-N 580.772 5.831 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CC4(CCCC4)C[C@H]1C=Cc1cncn13)C1=CC2=CN[C@H]1N 2356865279 WKJJXIWVVXJKTQ-HFRDZPKMSA-N 724.993 7.822 50 1 KKGF O=C1N(Cc2ccc(CBr)cc2)[C@@H](Cc2ccccc2)P(=O)(O)[C@H](Cc2ccccc2)N1Cc1ccc(CBr)cc1 26576981 FFXHPSLWFWPPON-ROJLCIKYSA-N 696.420 8.322 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCC1 96283549 VUCWCKHEKAUSON-KEIPNQJHSA-N 557.626 6.195 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC1)OO2 118919999 UBDMUQYNTPAHHZ-KCCAIUIJSA-N 620.780 6.194 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NCC(C)=O)c(CO)c1 150347744 QEUHONDCRFMHOK-PUNCXTLKSA-N 744.976 8.241 50 1 KKGF biogenic,in-vitro CNCCCC[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 150349188 VLHJSHCOJLVTKX-GUVKETHVSA-N 872.190 8.971 50 1 KKGF biogenic,in-vitro O=C(NCCSSCCNC(=O)/C(Cc1cc(Br)c(O)c(Br)c1)=N/O)/C(Cc1cc(Br)c(O)c(Br)c1)=N/O 150586613 ONRFXDOWGJSLTD-YAGSLNJISA-N 822.190 5.207 50 1 KKGF COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@@H]([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 195314690 JQUIKJFGIQVNCW-VEQMDUKXSA-N 940.341 5.872 50 1 KKGF CCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O 198023519 MSXALXJYQQPVDK-POHUPDAJSA-N 640.516 7.295 50 1 KKGF C=CCON=C(C[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3 254096550 WGDOECSYODBCCA-AYQCERFLSA-N 631.807 6.436 50 1 KKGF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586916715 NNUMJJIPLJTZKS-YJYMSZOUSA-N 511.310 7.199 50 1 KKGF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)o1 586923547 PKGXGFLBXJAAAO-UHFFFAOYSA-N 573.363 6.569 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CCCNC(=N)N)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cccc12 586936414 MZQDRSHCFVYQFO-IBGZPJMESA-N 605.659 5.722 50 1 KKGF O=C(O)c1cc2[nH]c(CCCCBr)nc2cc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12 586972039 CNYHWPYAMXPURX-UHFFFAOYSA-N 507.340 5.563 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587324938 VUMZJFAAYCNKJG-YUBSYSMPSA-N 541.962 5.944 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 587326806 NCENZUWGDDCGBV-XCZPVHLTSA-N 510.392 7.085 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587327750 HGWYNDJHXCMMTH-IRLDBZIGSA-N 513.256 6.339 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587332985 UKDMAPHDBCLZGW-IRLDBZIGSA-N 513.256 6.339 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541309 ATVWIBANRONWOX-RUMFTMGHSA-N 525.944 5.408 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587542398 HAFAXPUWUYFJKP-QVWWMRLHSA-N 570.045 5.693 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587552473 AEUGHZHTHDBWSC-BLFKVHCISA-N 691.192 7.239 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 587678810 DDVBWNFOZJYYBX-LBEKAKSKSA-N 534.856 7.460 50 1 KKGF CCOC(=O)/C(=C(\C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690099 ZBRFFXQHIHPIGM-OLUXSZAASA-N 525.846 5.514 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 587730426 FUVNSZCEHLLXGW-HEPQZLGDSA-N 520.849 6.116 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 587734085 MXHHBNWEIMOAPS-LGQCXIGXSA-N 618.129 7.544 50 1 KKGF COc1ccc2c(c1)[C@@](CCCCCCl)(c1ccccc1I)N(C(C)C)CC2 962094767 XESSFYQRXHZEPV-XMMPIXPASA-N 511.875 6.609 50 1 KKGF C[C@H]1Oc2ccc([C@@]3(CBr)c4ccncc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)cc2NC1=O 962478730 XVHKDMDPMBXIKR-GEUSSOHXSA-N 654.517 5.700 50 1 KKGF COc1ccc2c(c1OC)[C@]1(c3ccccc3C(=O)c3c(NC(=O)[C@@H](C)Cl)cccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678795 MYZSGXRUGJXUBO-TYFQNXAESA-N 649.065 6.823 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCCCCCCl)c1cccc(Br)c1 962996895 REMXHOQHYZFREJ-JGCGQSQUSA-N 647.437 8.210 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963065828 FNCDQHDHKLHMJD-CYBCHLBCSA-N 799.135 7.630 50 1 KKGF Cc1cc([C@@]2(CCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1ccc(OC(F)(F)F)cc1 963147049 NSWVRNVPNFFJKT-NLFFAJNJSA-N 586.032 6.178 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](c2cccc(C)c2)([C@H](C)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369989 ZYYVULDEWUBVSO-JQERKGSJSA-N 626.547 7.076 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(C(=O)/C=C/c4c[nH]c5ccccc45)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772590111 QCMCRAFUORGNAJ-HFVLOCNBSA-N 573.686 6.667 50 1 KKGF C[C@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857574368 SIJFKEWHPRGGIM-INIZCTEOSA-N 510.359 6.040 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)[nH]c(=NCCCN2CCOCC2)c1 1857756918 ITVXYTHOKGZUJC-HWKANZROSA-N 508.626 5.199 50 1 KKGF COc1ccc([C@@H]2C[C@H](c3ccc(C)cc3)c3cccc(P(c4ccccc4)c4ccccc4)c3N2)cc1 1857760292 UTJHAVAFLHSSAN-SAIUNTKASA-N 513.621 7.451 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(Br)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cnc2ccccc21 1857769679 DHIHVGGUTZTVKV-UAKXVESRSA-N 599.569 8.007 50 1 KKGF CCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1 2356334528 IWIZOMWAHIZTOM-DJSLPISASA-N 675.819 9.352 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]15CCCC[C@@H]1C[C@H]([C@H](CO)OC)CC[C@@H]5C#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@@H](C3)[C@@H](O)O4)CC[C@H](O)CC(=O)CC2 2356350815 KCAIHYPAVIUMHA-KWBQTHCKSA-N 959.285 5.877 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@@H](CO)CC3)CC(=O)CC2 2356351780 GBRHWUKNSFOPBP-LJOQHGARSA-N 957.265 8.592 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@H]1C)N43 2356352379 SAZWQMRMIIQBKF-AVESMWIQSA-N 587.848 6.570 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC2CCCC2)c1O 2356358754 WFRHKYHNVOJSRI-RDDCELSISA-N 664.886 8.523 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356360064 YASGUXKYKLJBRB-QEDJBFLZSA-N 943.374 10.923 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@@H]2CSSC[C@]34C[C@H](C[C@H](CCCCNC(=N)N3)C4)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356360885 QSJFCWYCYGJVRJ-VQNDOKFCSA-N 793.021 6.810 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)NCC2=C[C@H]1CCC2 2356363209 JXGFNBDDZQLXKE-ZQJMBXFXSA-N 783.107 6.362 50 1 KKGF CCCCCCCCCCCC=CCCCC(=O)OO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 2356484011 GMOLPOGBPMOLSJ-VFXQVBQTSA-N 653.089 13.519 50 1 KKGF 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C[C@H](Cl)Cc1nc(O)c2c(n1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CCC1)[C@H]2c1ccc(Cl)cc1Cl 66099782 ZXLNRQYZTNNARF-WHEQGISXSA-N 593.920 5.597 50 1 KKGF Cc1c(CCCl)c(N=P(c2ccccc2)(c2ccccc2)c2ccccc2)n2c(nc3ccccc32)c1C#N 73257028 JTCOKXBPQAUCQI-UHFFFAOYSA-N 545.026 7.258 50 1 KKGF Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 100900679 TVUOOUQDGYWZPB-WLNZHLEZSA-N 504.646 7.433 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccoc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118932868 ZABSPJOXBSMZHR-RJZFEWIESA-N 563.474 5.440 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621830 KDEBQRHOJZQXGT-ISBRNDMJSA-N 737.460 8.859 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 253635167 CUIGPZVXPKTCJE-PJWJAHPMSA-N 537.623 7.543 50 1 KKGF COCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 299806306 BQRMSQJXAYZAON-DNYJQMNVSA-N 593.500 5.067 50 1 KKGF O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c2c1)N1CCOCC1 586961444 RNCYFQCPWWVYFD-UHFFFAOYSA-N 536.504 5.162 50 1 KKGF NNC(=O)c1ccc2nc([C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3ccc(Cl)cc3Cl)[nH]c2c1 587054543 IFMZNDXNYHZHLR-JWQCQUIFSA-N 534.447 5.745 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C(Br)(Br)CBr)N1 587669508 DQRGFJKTQBTFPO-KSBSHMNSSA-N 508.849 5.045 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(c1c(Cl)cccc1Cl)C(Cl)Cl 963066282 ODPUKEPFKPXUSC-DGUDUIIESA-N 588.315 6.519 50 1 KKGF Cc1ccc([C@@H]2c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(B(O)O)c1 963094635 YZCGPJSWBLHMAS-HEVIKAOCSA-N 553.467 5.068 50 1 KKGF N#Cc1ccc([C@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963243055 ZAHYZFAMMIAFBX-VCTRWQRLSA-N 655.019 5.823 50 1 KKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)c4cccc(Br)c4CCN3C)c2C)cc1OC 963282147 WGAXXDLYHQOBLM-RUZDIDTESA-N 503.868 5.844 50 1 KKGF COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCC(=O)OCCCOCCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@H]21 1772570989 UAXNSFNSLSIYER-HXOSKORISA-N 820.815 6.093 50 1 KKGF O=C(OCCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O 1772575194 PVYQAYINSYVVDS-UHFFFAOYSA-O 639.837 9.710 50 1 KKGF COc1ccc(NC(=O)CSc2nc(Nc3c(C)cc(/C=C/C#N)cc3C)c3cc(OC)c(OC)cc3n2)cc1 1857552441 XNGZKOPNTDTWBA-VOTSOKGWSA-N 555.660 6.284 50 1 KKGF CC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2ccc(COC(=O)CCCC(=O)O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc12 1857601354 HKIJYCYHHRCYOF-XNCGVLEZSA-N 726.198 7.072 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1[C@H]1C(C#N)=C(N)N(Nc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1911586361 YOZVXZDTPFNWMS-SSEXGKCCSA-N 592.650 7.015 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CC[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@@H](O)C1 2356356486 KPEGYQDLCQLNGO-WDIUENOFSA-N 887.137 7.278 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@H](O)C1 2356369667 TXMBBWNIZPCFPJ-QJCBAANSSA-N 965.380 11.183 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)[C@H](Br)[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]12C 2356384475 JGVYFYLJHISGAE-URCMZEMQSA-N 511.541 6.540 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@@H](C)C1(C)C)O[C@H]2O 2356390787 CTHUSBFULVXKNC-XJFGOTKLSA-N 711.081 11.056 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@H]4[C@@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356400643 FKAWGRZMQNXGSM-ZSACLQFTSA-N 731.132 5.917 50 1 KKGF CNCC[C@]1(O)CCC(=C(C)C=O)[C@H](CCCO)[C@]12CC[C@H](C(=CC=CC(CCC=C(C)C)=C1CCCCC1)CO)[C@@H]2O 2356586800 OMLRLZNYCQVLPV-AESTUDHESA-N 597.881 6.264 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(C3CCCCC3)=C[C@H]12 2356590637 XDUHFRYJWIGXKR-IKUWCEGSSA-N 750.936 5.241 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@H]3CC=C[C@@H](C3)SS2)c1O 2356780430 WKHGSAFUJWVRFZ-CRPSCDQTSA-N 793.013 7.925 50 1 KKGF N#C[C@H](/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1c(O)ccc2ccccc12)c1nc2ccccc2s1 5811483 RHUVOUDVROSABB-WXVMCLTKSA-N 592.637 6.265 50 1 KKGF CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccc(F)cc3C(F)(F)F)c(OC)c2)s1 13584650 UYBHBHMTTKXMDG-OVCLIPMQSA-N 506.481 5.392 50 1 KKGF C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@@]21C 43323441 PZXHPUCNJAGWRH-MBCRNBRFSA-N 540.585 6.963 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC(C)(C)OO2 49898809 YLSDIRXYEMKQQJ-PUXZULFKSA-N 621.812 6.013 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53243482 MRYUZZQNQYRSQV-YADHBBJMSA-N 507.775 5.684 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]1(C)CC/C=C(\C)CC/C=C(\C)CCCC(C)C 85942951 JZWIUMRLWZVVKJ-MVNXMOOBSA-N 614.996 11.413 50 1 KKGF COC(=O)CCCCCCC[C@H](O[Si](C)(C)C)[C@H](C/C=C\CCCCCO[Si](C)(C)C)O[Si](C)(C)C 231212319 WIZYORSJSLAYHG-WVHBTXFFSA-N 561.041 8.689 50 1 KKGF O=S(=O)(NCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cc(Br)ccc1Br 586943122 OWZNVOZRCPSTCM-UHFFFAOYSA-N 664.108 7.029 50 1 KKGF FC(F)(F)c1cc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc(C(F)(F)F)c1 587112389 UQOILWXFNOZMES-UHFFFAOYSA-N 611.274 10.354 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21)c1ccc(F)cc1 587730386 FRINOEZLERQXHL-ZYTRPSOVSA-N 508.838 5.972 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CBr)(c2cncc(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962564925 CMUPWLBOYKLGTH-OFSOJUDTSA-N 588.433 5.515 50 1 KKGF COc1cc([C@@]2(CBr)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)ccc1I 962635298 NAMFNFOJNRSOBC-NVQXNPDNSA-N 589.315 5.685 50 1 KKGF COc1cccc2cc3c(nc12)[C@]1(NCC3)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 963058467 OVDKVSAXNFPMAA-NDEPHWFRSA-N 518.400 5.056 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)c4scnc4C[C@H](C(=O)O)N3C(=O)OC(C)(C)C)c2C)cc1 963142714 LFDYBAFHVFUOGS-JIPXPUAJSA-N 560.072 5.066 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc(N3CCCCC3)cc1)N(C(=O)c1ccccc1N)CC2 963158794 SLQYNCICBTVZID-SSEXGKCCSA-N 564.524 5.613 50 1 KKGF CC(C)c1ccc2c(c1)[C@@]1(C(C=O)=CO2)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963242211 XOGGJDUQGQWGCX-WLFXDIPCSA-N 691.649 6.311 50 1 KKGF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@]1(CCCCCl)c1ccccc1C(F)(F)F 963685041 FQNJFUXJDIMVPP-ZEZDXWPOSA-N 575.027 5.472 50 1 KKGF COc1ccc2c(c1OC)[C@H](c1cc(S(F)(F)(F)(F)F)ccc1Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963817496 NQGCSFDAZYQYTR-DEOSSOPVSA-N 645.444 7.962 50 1 KKGF COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccccc2F)c2ccc(Br)cc2)CC1 1857566767 KEBTXYVUUJRQQZ-UHFFFAOYSA-N 570.507 5.030 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)[C@@H]3C=C[C@H](c4cccc5ccccc45)c4c3ccc(O)c4OC)CC[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356301249 RXFCAHWCRVDSRC-LMJAKFQHSA-N 942.213 9.065 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356349941 RCJMDXUTXNHZSH-KCFOMARESA-N 936.295 5.720 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@H]4C=C[C@@]12C[C@H]4C3 2356356984 PJYPVJDDTCAMNC-FHYKWPEZSA-N 640.015 10.293 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356364658 WDJLEGXOJNZBQI-BIIDTLCUSA-N 712.085 6.808 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@]1(C)O[C@H]1CCc1cc(N)nc(c1)-c1cc[nH]c(=N)c1CSS2 2356379853 JTCKOCDJPKWDEH-XUQIQVIWSA-N 686.812 5.248 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C)CSSCNC3=CC(=CCN3)C2)CCCC1 2356818402 DTMAHZFSZDMDPU-IXGOBNMUSA-N 632.892 7.597 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@@H]4C(=CC[C@H]5CSSC[C@H]6CC[C@]7(CCCC78CCCC8)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4C)c1 2356829127 IVEVHBQQQNBKTD-HPDUNCOVSA-N 818.199 9.914 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356833272 ZUANDHVDDDCXKC-ZYKOCOCDSA-N 714.930 6.632 50 1 KKGF CNCc1c(O)c2c(c3c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@@H]1O2)C3 2356838884 MEEMUWMUIJCHGZ-FYYSSDJMSA-N 945.217 7.521 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)CSSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356871461 YBGMGVBVSRDZFV-VUDSMTLQSA-N 768.014 7.138 50 1 KKGF O=C(SC[C@@H](CN1C=CC=CC=C1)SS[C@@H](CSC(=O)N1CCCC1)CN1C=CC=CC=C1)N1CCCC1 28872822 MBXHJPGCSKRDBB-CLJLJLNGSA-N 590.906 6.801 50 1 KKGF CN(CCCCCCNCc1ccccc1N)CCSSCCN(C)CCCCCCNCc1ccccc1N 44221692 AZGYCUWBTXDWEO-UHFFFAOYSA-N 588.976 6.096 50 1 KKGF Cc1cc(Cl)ccc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1ccc(Cl)cc1Cl 45349295 WGDDNBDLWJZNEV-ORBVJSQLSA-N 501.723 6.877 50 1 KKGF O=C(NNC(=O)c1ccc(-c2cccc(COc3cccc(C(F)(F)F)c3)c2)cc1)C(=O)c1c[nH]c2ccccc12 72173281 IXOCURSPIALGCH-UHFFFAOYSA-N 557.528 6.077 50 1 KKGF CCSc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@@H](OCCCl)C(Cl)(Cl)Cl 103219180 RMRVWABAPIZXKQ-HNNXBMFYSA-N 591.097 7.545 50 1 KKGF CNC(=O)N1CCC2(CC1)OCC(C[C@H]1O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]53OO4)(C[C@H]1O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]53OO4)O2 169364438 FTQXSNDLEGPNSZ-LKOHITPSSA-N 760.966 6.185 50 1 KKGF S=C(SCc1ccccc1)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCc3ccccc3)CC2)CC1 212338303 WMAIMEPUKFSGBH-UHFFFAOYSA-N 655.090 6.609 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] 253952382 ZMYCLKSPUUAQFN-GEYRMOSOSA-N 945.072 7.011 50 1 KKGF CC[C@H](/C=C\[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[C@@H]5O[C@H](CO[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]5O[Si](C)(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 255210478 FUWBZRNBUHDSFT-BXUBUPGESA-N 863.575 13.062 50 1 KKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C[C@H](CCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299831046 XSJLCRYWNKAUOD-PVXFNAQFSA-N 818.156 11.829 50 1 KKGF COc1cc(Br)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587320889 HLTGOHYHXIBFFK-LADGPHEKSA-N 566.217 5.960 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 587687340 ZZXSCCGWLAQPNR-RZFZLAGVSA-N 567.242 6.153 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc13 587717646 LWCZHDWTJRGDGC-BUBKTPIFSA-N 693.069 7.464 50 1 KKGF CC1=C([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 587720713 UGRAIKGROBWRGL-JKOPJZLRSA-N 606.979 6.854 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587850383 PQARJPQKMAKUEQ-NBSZDIBVSA-N 788.867 11.177 50 1 KKGF C[C@H](Br)[C@@]1([C@@H](C)Br)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962565312 ABFSRRRMGHEDHL-DQHWEDCCSA-N 614.334 6.104 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962721226 WOSUBFSQFIGTSZ-KFLLSROBSA-N 792.721 8.310 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CCCCCCCl)(c2cccnc2Cl)N1 962922623 DJSIDZNJRLBJDZ-IGKIAQTJSA-N 515.437 6.265 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(CC(C)(C)CC3=C2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)N1 963167600 AMPSHQDCELTVLU-QQDDEUTPSA-N 748.327 8.397 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(OCC(F)(F)F)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939672 ZTMXELLLTSVQMG-QUWSCPQSSA-N 756.707 6.403 50 1 KKGF COc1cc(/C=N/NC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)cc(OC)c1OC 1772607523 QQOFQSAXDAKMPY-LHRUSGROSA-N 611.030 5.515 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@]1(C)CC[C@@H](C(C)(C)OC(C)=O)O1 2356307105 XJNZVDMVCHYTDM-DNGOFAMMSA-N 689.725 6.325 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@H]2[C@@]12CO2)C3(C)C 2356338975 FQUUEVQWEWPIDX-YNZJBBFUSA-N 606.829 5.303 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356421765 SMNVVRZIRDYUBB-CEMPQPHVSA-N 910.293 8.123 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356457720 ADGOKAYXJMQJPT-WJLLTVECSA-N 761.101 6.810 50 1 KKGF CC[C@H](O)[C@@H]1SSC[C@H]2CC3=C4C[C@H]5C[C@H](CO)[C@H](CCCO)[C@@]4(CC3=O)[C@@]5(C)CCSSC[C@@]3(C2)NC(=N)NC[C@H]3Cc2cc1ccc2CO 2356514732 LSMASZNWKPBFRM-ORIPPSSFSA-N 776.169 6.275 50 1 KKGF C[C@H]1CSS[C@@H]2C=C[C@]34C[C@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)[C@H]3CCC[C@]41C=CC[C@@H](C)C1 2356572632 HVNUOJHYCPJULX-VZQVTPQJSA-N 585.923 9.122 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)CC4(CCCC4)[C@@H]4CCC[C@@H]4[C@@H]5CNC[C@H](C)O)c3)cc1CO)C[C@@H]2N 2356672617 RDBDRJFDQOKCJR-OCVPFHGUSA-N 977.436 8.896 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@@H]1Cc1cc(C(=O)O)ccc1O 2356788068 BVVBECHWVBGMKA-HDQDOCHHSA-N 820.182 9.430 50 1 KKGF CC[C@@H]1CC[C@]2(C3=CCN=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@@H]2C1 2356867900 WXGURZZHGAKCDU-YFSDDCBUSA-N 531.740 5.984 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](C2=CN=C6CN(C=C26)[C@@H](O4)[C@@H](C#C[C@@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@H](O)C1 2356875681 ZSSUFHSHDSMKGG-MURSTDKESA-N 941.229 7.482 50 1 KKGF CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 42919947 NBAGACBKTIMQMP-CCWYRREGSA-N 649.833 6.052 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1 72176262 WLMYSPSBGOLASW-UHFFFAOYSA-N 529.859 6.955 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H]1N[C@H](CCC3(O)CCCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 150347639 OKVLXVQCRBBOQN-JADOYPFESA-N 997.330 9.686 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(COC(=O)CCC(=O)O)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169289958 LKGRAXYPFZAARJ-SHCDTQKISA-N 722.869 5.407 50 1 KKGF CCCCCCCCC[C@@H](OS(=O)(=O)O)[C@H](Cl)CCCCCCCCCCCCCOS(=O)(=O)O 169621823 XKTFVUFBGYNAMG-DNQXCXABSA-N 565.235 7.423 50 1 KKGF COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@@H]([C@H](O)[C@H](NCCCNC(=O)[C@H](N)CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 195347313 RJVNIUWYTFHOAQ-NLCKHSENSA-N 964.360 5.361 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3ccccc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N 195758948 XMDXSDCQZSNIAY-ZGXDEKTJSA-N 581.884 5.245 50 1 KKGF CCN1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 207715435 CMCZKFPSGLRSEQ-QSHTXEQDSA-N 637.764 5.036 50 1 KKGF Cc1ccc([P+](Cc2nc(C)c(O)c(CO)c2C[P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 210387241 INLHTJCKCXRPNS-UHFFFAOYSA-O 773.938 9.427 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299842845 YCOIJPSIDUQDNN-IUJJCURWSA-N 812.448 5.694 50 1 KKGF O=C(O)[C@@H]1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 587012759 YYPSOODNZCQNRR-STWVUXQISA-N 587.008 7.850 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 587605002 AREKDOATRSICFU-IGKIAQTJSA-N 572.477 5.209 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)ccc2F)N1 587719536 PVGLDTJGZIGIAT-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF Cc1c(C)c(C)c([C@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1C 962566319 FLAYJLHWVFPUFB-RRTCDKLQSA-N 595.139 7.367 50 1 KKGF Cc1ccc2c([C@@]3(CCl)c4cc(O[P@](=O)(O)OCc5ccccc5)ccc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c[nH]c2c1 963090718 YJAXGEIGBZZJGE-OLBRMRTOSA-N 763.183 8.915 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)C1 963149207 SQTSKWWHBFOOSY-JTAARSKYSA-N 597.851 5.864 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1cccc(Br)c1)c1ccccc12 1772583788 KGOIUQAHULZWDW-PSXMRANNSA-N 677.522 6.199 50 1 KKGF c1ccc2c(=NCCCCCSSCCCCCN=c3c4c([nH]c5ccccc35)CCCC4)c3c([nH]c2c1)CCCC3 1857639931 CSHQXRFENGZQAM-UHFFFAOYSA-N 598.926 8.630 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356350165 WBWNEZYNFAENKJ-CVMMEVJYSA-N 829.094 8.743 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CCC5(CCCC5)C4)[C@@H]4CC[C@@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356475383 ZSJOCJIALNRXBA-NDQDLGNBSA-N 869.071 5.956 50 1 KKGF CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2C=CC2=C4CC(C)(C)CC[C@]4(C(=O)OC(=O)[C@]45CCC(C)(C)CC4=C4C=C[C@@H]6[C@]7(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]7CC[C@@]6(C)[C@]4(C)CC5)CC[C@@]23C)C1(C)C 2356527821 OETSCDNEBPSEFP-SREAKWFSSA-N 975.449 15.363 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356667943 XDUQAHOQCDXXEG-JEOLYDJXSA-N 956.370 6.276 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356751815 PNFJUUUADRHTHT-CDOCYWICSA-N 944.229 8.751 50 1 KKGF C=CC(=C)[C@H](C[C@]1(C)[C@H](C)C[C@H](O)[C@]23C(=C[C@H](OC(=O)C=CC=CCCCCC)C[C@@H]21)[C@@H](OC(C)=O)O[C@H]3OC(C)=O)OO 2356765003 HXZWRWDSAJYAQI-DPLWKIHISA-N 616.748 5.730 50 1 KKGF O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@@]34O)ccc21 2356859485 SVDNOZRNUXLLFU-GZUAPNNASA-N 890.069 6.556 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356864446 VUWOFLIPMKRMHJ-MPSDFYQMSA-N 733.953 5.328 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356868633 XDXKFQWRJIZVHL-WQHAVCNMSA-N 741.976 6.748 50 1 KKGF Clc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1Cl 26674551 DAKSJQSYWULCID-UHFFFAOYSA-N 599.782 7.554 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1ccc(NCC(C)=O)c(CO)c1 85597340 ZIPZUSGMDXIZEA-LXHSWDJUSA-N 744.976 8.069 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)[C@@](C)(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCC(C)C 95583028 HNARRCKSOPUOSY-HKBQPEDESA-N 540.645 6.989 50 1 KKGF COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103236518 GVPXDFMLEUAKHO-HOPZFOEPSA-N 507.715 6.459 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCC[C@@H]1C)OO3 169297830 IHRXEWZCLBMYTC-VMULXRFBSA-N 634.807 6.742 50 1 KKGF CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSCC/C=C/[C@@H]2CC(=O)NCc3nc(cs3)C3=N[C@@](C)(CS3)C(=O)N[C@@H](C(C)C)C(=O)O2)OC1=O 299832781 VXQMEGLYMWVBHB-UOLLFOIHSA-N 991.344 5.223 50 1 KKGF CC(=O)O[C@]1(c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 586986790 VFIIHLISEHHKOD-IMZOFRNDSA-N 656.606 8.250 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4cccc(C(F)(F)F)c4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057123 UHNBIJMDLTWWFJ-XDHOZWIPSA-N 630.479 8.161 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 587327724 HEKCVVWFEJVFQF-XCZPVHLTSA-N 543.944 7.451 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587686819 XQIDZRKRVVWBTP-CRYYWNKWSA-N 511.866 7.246 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)c(F)c2)N1 587725294 OURXFTHCHYXRSH-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845054 MNNJSIXRYFBNDH-IUGBQFMMSA-N 578.076 7.715 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccccc2)([C@H](Br)CC(=O)O)N1 963174437 RLMIDSVJUYWGMU-JBQSSDAJSA-N 676.611 6.449 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 1772635049 MDVJFVHEJMGGHN-SQYRDCPQSA-N 694.743 6.720 50 1 KKGF C[C@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857567764 MOFLGJCXHZXNFE-INIZCTEOSA-N 526.427 6.753 50 1 KKGF COc1cc2c(cc1OCCCC(=O)Nc1nc(C(=O)Nc3ccc(NC(=O)CCC(C)(C)SSC)cc3)cs1)N=C[C@@H]1Cc3ccccc3N1C2=O 1857584314 QKTDYONVIQHCBS-SANMLTNESA-N 772.975 7.998 50 1 KKGF CC1=C(CCCCO[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C(=O)C(C(C)C)=CC1=O 1857629815 LXLMGFMCWXAWQG-DQSNHWCISA-N 502.648 5.432 50 1 KKGF COc1ccc(C(=O)OCC2=C(C)C[C@H]([C@@H](C)[C@H]3CC[C@H]4[C@@H]5C[C@H](Cl)[C@]6(O)[C@@H](O)C=CC(=O)[C@]6(C)[C@H]5CC[C@@]43C)OC2=O)cc1 1857753271 HXWQYIMCGVWWOR-CAMKGQLTSA-N 641.201 5.427 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356311544 BDCUIUNTQSAWQP-OGXSABJYSA-N 824.078 8.641 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@@H](O)C1)[C@H]2CCC(C)C 2356349717 MLBULSUSYUHRNW-JEGQZIGQSA-N 761.108 7.462 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2C[C@@H]([C@H](C)[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC24CCCC4)[C@]1(CO)C[C@@H]3CNC(=N)N[C@@H](C)O 2356358765 WKHZISBXNZWOQY-VGOLRWSQSA-N 995.451 6.893 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356372503 GDSBARYVMNRMKO-KSESKALESA-N 921.273 7.480 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356515404 NWTZMBNBNDACRI-ONBBWSODSA-N 837.199 7.951 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@H]2CSS[C@H]5O)C1=O 2356609807 NLMZLTIPCIPBAX-LAIDVIJPSA-N 840.158 6.317 50 1 KKGF O=CC(=Cc1cc2cc3c4c(c2o1)CCCN4CCC3)CCC=CC1=C[C@H]2C=C3CCCN4CCCC(=C34)[C@@H]2O1 2356706943 BQIBBZYDPMFYTP-OOXUFLSTSA-N 534.700 7.033 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(C[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@H](C)CSSC[C@@H](C4)C[C@H]32)C[C@@H](CNC2CCCCC2)C2(CCCC2)C1 2356735177 ALCHOLVLMLSLBL-RXFZCOOHSA-N 781.273 12.303 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN[C@@H](CCc2ccccc2)C1)C3 2356770891 KOKCMPXWYOVPLN-BLZFYUFKSA-N 774.911 6.423 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356770925 LFFRSPWFUDRLRT-FIWNVLFSSA-N 882.158 8.639 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356780429 WIKMESULTZTLLA-UARPTYIUSA-N 845.086 6.623 50 1 KKGF CC(C)(Cl)[C@@H](Br)CC[C@](C)(O)[C@]12CC[C@@](C)(O1)[C@H](CC[C@@H](O)[C@@]1(C)CC[C@@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)O1)O2 2356808583 YZARRXISSFENGE-YEVJNUEPSA-N 739.454 7.354 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@@H](O)CCC(C)C)c(=O)oc3cc1O2 2356812461 BJQKNAAJFOEWDA-NEOSNZFZSA-N 877.183 5.941 50 1 KKGF Cc1nc(C(C#N)=Cc2ccc(F)cc2)sc1N=Nc1c(Br)cc(Br)cc1Br 2356845343 ODWHTTOMSPNZFV-UHFFFAOYSA-N 585.094 8.358 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356857978 SOOYABWXBOMBNS-KNYXRDEQSA-N 525.473 5.676 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2F)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40447662 DJOHYAWNSIKRQL-JSMIYBGHSA-N 508.493 5.460 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc(Cl)cc34)cc2)N1c1ccc(Cl)cc1 45299189 GEHKJLPJNDYFAG-RPWUZVMVSA-N 500.765 6.374 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@H]6COC[C@@](CCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c1O 85511037 JVPVHPBIUBBVLS-HWSJJSLXSA-N 831.059 6.233 50 1 KKGF biogenic,in-vitro CCC[C@H]1[C@H]2CC[C@H]3C[C@@]14/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 150349181 QVVQAPXLOJXJBN-KLZBDOPOSA-N 855.159 9.627 50 1 KKGF biogenic,in-vitro COc1cc(CNCCCCCCNCCSSCCNCCCCCCNCc2cc(OC)cc(OC)c2)cc(OC)c1 169329806 QHJIQJUBMQQVMX-UHFFFAOYSA-N 650.996 6.282 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195515011 AMSWKXJXTYPJKN-ZGDJDIHISA-N 626.036 6.402 50 1 KKGF CC(C)(O)[C@H]1CC[C@](C)([C@H](O)CC[C@](C)(O)[C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 238731852 IFHPYSVGNHWKDY-OSCSKAICSA-N 605.651 5.184 50 1 KKGF COc1ccc(C2=NN(C(=O)CCCl)[C@@H](c3cc(OC)c(OC)c(OC)c3)C2)c2c1C=CC(C)(C)O2 299857622 FRJVOOSTPHRPPR-HXUWFJFHSA-N 515.006 5.212 50 1 KKGF Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)ccc4[nH]3)cc2)c(C)c1C 586951568 YUVBOULUSSJRHP-UHFFFAOYSA-N 545.599 8.230 50 1 KKGF CC(C)COc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1Br 587009603 NDPXNOJUDAXEOO-FQEVSTJZSA-N 503.828 5.480 50 1 KKGF Cc1cc(Br)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587055101 JXQJZBNLVWOFDQ-MHWRWJLKSA-N 500.227 7.412 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190142 IEZFVEXJCMLENR-UATTUGJOSA-N 687.816 9.252 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)[C@H]1c1ccc(F)cc1 587323729 SQGSIGHZIZAIDF-RBBKRZOGSA-N 551.162 5.851 50 1 KKGF O=C1C[C@](CBr)(c2c(F)ccc(Br)c2Cl)Oc2c1ccc1c2CCCC1 587502285 DLXCWBUYOQMICS-FQEVSTJZSA-N 502.605 6.376 50 1 KKGF CC(C)(C)c1cc([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc(C(C)(C)C)c1O 587538127 NSGNOAXSAQDZMG-IADCTJSHSA-N 539.466 6.945 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587539993 ZFLBPSHZBFKTPW-FUFSCUOVSA-N 521.451 6.993 50 1 KKGF CCCCN(CCCC)c1ccc(-c2nn(-c3nc(C(=O)NN)c(Cl)c(N)c3Cl)c(=O)c3ccccc23)c(O)c1 587662613 OFPWZTIDZPDITA-UHFFFAOYSA-N 584.508 5.052 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 587671893 BFSNWVQTWKJSLX-XYZCENFISA-N 537.021 5.432 50 1 KKGF C[C@@H]1CC2=C([C@H](c3ccc4c(c3)OCO4)C(C#N)=C(N)O2)[C@@]2(C1)c1ccncc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962403859 LWXUHCOIJCEUNH-UJOIFZDQSA-N 694.744 6.458 50 1 KKGF COc1ccc2[nH]c(C)c([C@@]3(CCl)c4ccccc4C[C@@H](C(=O)O)N3C(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c2c1 962709995 LAMXMIWGDFJDLE-AWLITPKASA-N 699.198 7.084 50 1 KKGF NC(=O)N1CCc2sccc2[C@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br 962719196 VYJVRDYEFGMIAK-HNNXBMFYSA-N 517.045 5.490 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCl)([C@H]2CCCN2C(=O)C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963065831 FNCDQHDHKLHMJD-VWMZOJNISA-N 799.135 7.630 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cn(C)c3ccccc23)N1 963166622 XVSMGFFQNRLPKY-UVNLRBHVSA-N 671.639 7.097 50 1 KKGF CCOC(=O)c1c(C)[nH]c([C@@]2(CCl)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)c1C 963796336 OIILJMFCQCVABQ-WJOKGBTCSA-N 578.065 5.057 50 1 KKGF Cc1cccc2c1[C@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963853921 JSGTXOCEEPYWHC-HLADLETHSA-N 591.070 7.540 50 1 KKGF CCN(CC)c1ccc2cc(C(=O)NCC(=O)O[C@H]3CC[C@]4(C)[C@@H]5CC[C@]6(C)/C(=N/OCC(=O)Nc7ccc(C(C)C)cc7)CC[C@H]6[C@@]56C=C[C@]4(C3)OO6)c(=O)oc2c1 1772573666 DTGXVUCDXIENLO-ZPRPLFCTSA-N 808.973 7.441 50 1 KKGF CC[C@@H](C)c1cc(/C=C/C(=O)c2cc(OC)c(OC)c(OC)c2)cc2c1OC(N)=C(C#N)[C@@H]2c1c(C)[nH]c2ccccc12 1857631273 JIXBZPNCHZYBGU-LBGFFGHUSA-N 577.681 7.130 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc2c(cn1)CC[C@@H]1CCC[C@@]21C[C@@]1(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]1O 2356291867 DSDKZMMBAILFQX-SVMRKXELSA-N 941.178 6.412 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356350905 MEDQKCURUCEKPJ-GBKPZTIGSA-N 945.254 8.983 50 1 KKGF CC[C@@H]1C[C@H]2CC[C@H]1SSC[C@H]1C[C@@H](Cc3cc(O)cc(c3)Cc3ccccc32)C[C@H]([C@]2(C)C=CC[C@@H](C)C2)C1 2356352577 WUJRZIIBPABWBF-AFATVQTFSA-N 574.940 10.608 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)CC[C@@H]4CCC[C@@H]4[C@@H]5[C@H](CCCO)NC[C@H](C)O)c3)cc1CO)C[C@H]2N 2356372663 KARJGCYECPMCRD-BQQYFPKWSA-N 981.424 7.867 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NC1CCCCC1)c1ccc(NC[C@@H](C)O)c(CO)c1)CC(=O)CC2 2356384242 MKVYLPQCQMASCH-CEGBYGCTSA-N 789.073 9.175 50 1 KKGF CC(C)=CCC[C@]1(C)[C@H](Br)CC[C@]2(C)C[C@](O)([C@@H]3Cc4cc(C(=O)O)ccc4O3)CC[C@@H]12 2356520598 RZJNPKNBRGXJBV-MREPLPOYSA-N 505.493 6.536 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)OC[C@H](C)C1=C2C3=CC=C(C=O)C[C@H](O)[C@]3(C)CC[C@@]2(C)CC1 2356540558 BZWGMCWZXRKRBF-FUEWTZTDSA-N 578.878 9.692 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)[C@@H]2CCC[C@@H]3[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC[C@H]4C[C@H]3[C@]2(CO)[C@@]14O 2356687541 SNLQGWGKELDCER-GJMTYSQSSA-N 967.397 5.971 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@@]1(O)[C@@H](CCCO)C2(CCCC2)C[C@@H]2CN(CCCOC)CC[C@H]21)C4 2356735267 KTBWMCXDAXAHNG-WKWDEWAWSA-N 981.193 5.873 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)[C@@H](CCCO)SS[C@H]5O 2356768580 SSKAJJVJHDMLDA-BQRTZWTASA-N 928.264 5.676 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356772990 NRFWZMACYSPEQA-SWKHDHLPSA-N 994.367 6.870 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356774308 VAFCTJSFDHSEEW-OZQRSUSSSA-N 657.936 6.583 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)OC[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 2356780540 YTHGXSOWWNYEHD-SOTADLLXSA-N 765.055 5.763 50 1 KKGF CNC[C@@H]1CC[C@@]23O[C@@H]2CCC2=C[C@@H](NC(N)=C2)C2=C[C@H](Cn4cc5cc[nH]c5c4)NC(N)=C2CSSCC[C@@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@@H](C1)[C@H]2OC3=O 2356836409 LAMQAOIHQNKEBM-CZNJCLEESA-N 868.095 5.426 50 1 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(C(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126763 HJXINJBZYGSKKL-UHFFFAOYSA-N 537.664 5.346 50 1 KKGF CN(C)c1ccc(/C=N/NC(=O)/C(=C/c2cnn(-c3ccccc3)c2)c2ccc(C(F)(F)F)cc2)cc1 40877174 ATQHKRNYKNODNK-LCTPCRRBSA-N 503.528 5.648 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@H]1O)[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 85597323 ZUZGPHNUFQLOEK-MQTHPIFNSA-N 815.067 8.352 50 1 KKGF biogenic,in-vitro CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCCN1CCCO[P@]1(=O)N(CCCl)CCCl)c1ccc(O)cc1 96901551 XKZCMKCFCJOIAZ-BYUIAXQVSA-N 571.526 7.330 50 1 KKGF N#Cc1c(-c2cccc(Cl)c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@@H]1c1ccccc1 96933476 RLDQJOSKOZTNAK-RPBOFIJWSA-N 510.384 6.512 50 1 KKGF CCCCOP(=O)(OCCCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOCC)c1ccccc1 103210787 GJEVHDLBFTYGGB-MOBKVPTQSA-N 512.609 5.779 50 1 KKGF COc1ccc([C@H](CC2CC2)NC(=O)/C(C#N)=C/c2cccc(/C=C(\C#N)C(=O)N[C@@H](CC3CC3)c3ccc(OC)cc3)c2)cc1 103262721 WVGPJYVNGQBNFQ-LWQVREDWSA-N 614.746 6.833 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 150347674 UOMOKZRODUDDTI-CCORFYRLSA-N 971.292 9.686 50 1 KKGF biogenic,in-vitro COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@H]2O[Si](C)(C)C(C)(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1 238808814 CBAUNERZXFKXOR-NKNKRSNTSA-N 683.882 6.083 50 1 KKGF COc1ccc(C(=NNC(=O)NCCC[C@H](C)Nc2cc(OC)cc3cccnc23)c2ccc(OC)cc2)cc1 299828452 VXHLPWUSNYOETR-NRFANRHFSA-N 541.652 5.593 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccccc4)c4ccccc34)sc2c1 299863737 PTOYUWRAOJPQNC-OCSSWDANSA-N 510.667 6.297 50 1 KKGF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587158451 FKTBGQLXKONBJB-UHFFFAOYSA-N 537.323 8.388 50 1 KKGF CC(C)CCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(C(=O)NN)cc2[nH]1 587219950 BPKUIXMXQXCECW-AREMUKBSSA-N 511.626 5.573 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 587673151 KXGZHNIOCNAYJK-RBHXEPJQSA-N 585.935 5.868 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(Br)c2F)N1 587724053 DMVFFICLOHNXGY-VVVCHXIZSA-N 510.014 5.663 50 1 KKGF COc1ccc(CCCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(OC)c1 587928327 DBDQYRMAGHDNAF-UHFFFAOYSA-N 501.315 7.175 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 587940786 PNMFUPMWQPNOOK-HZMZWCLISA-N 813.386 5.216 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]1(C)c1ccc(S(F)(F)(F)(F)F)cc1 961950022 KNYVGTFOLOYUTE-VBOOUTDYSA-N 597.606 5.299 50 1 KKGF N#CC1=COc2ccc(Cl)cc2[C@@]12c1ncccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962406280 RLQMPIUMLSAADG-LHXZUMEBSA-N 576.008 6.039 50 1 KKGF N#CC1=C(N)OC2=C([C@H]1c1ccc(OC(F)(F)F)cc1)[C@@]1(CCC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963333 VSBGTGNDDOBSJD-CUBQBAPOSA-N 591.552 6.397 50 1 KKGF COc1ccc([C@@]2([C@@H](C)Br)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1Cl 963061600 FEENALAFIXVBHQ-YQHOWDAUSA-N 607.929 5.854 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc23)cc1 1857560602 YAMXVBYLBILXTL-UHFFFAOYSA-N 822.838 5.201 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@@H](c3c(C)nn(-c4ccccc4)c3Oc3cccc(F)c3)C3=C2CC(C)(C)CC3=O)cc1 1911575143 YNWVANZPKFYHMT-HKBQPEDESA-N 604.686 6.884 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56CCC[C@]5(CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4)C[C@@](O)(CO)CC6 2356293033 ZOHBLYNUTJGDPT-FXMQOAEISA-N 996.305 8.608 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@@H](O)C2CCC(O)CC2)CC[C@@H]1CCN 2356314486 ONEXWUZTIISBCH-XDIOMOHCSA-N 744.073 6.144 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356352415 SQNKOVTXJGTJLZ-DZULSLDASA-N 901.333 9.572 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356364664 WDWPJIMDFLUPHW-BGGFLRSISA-N 855.170 5.659 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356367849 JDUIXENUSQASED-XOUPMVAPSA-N 987.376 9.017 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356388929 YIGZEBATTSRTAO-BDDSITQZSA-N 962.278 5.598 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2C[C@@H]([C@H](C)[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSS[C@@H]2CCCO)[C@]1(C)C[C@@H]3CNC(=N)N[C@H](C)O 2356434633 YYCUXNYHKFNUNE-CHDIIFCKSA-N 983.440 6.749 50 1 KKGF CC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356440085 MXAWBPGQJSLERK-ITHRCTNCSA-N 558.800 7.753 50 1 KKGF COC(=O)CCCCCCCC[C@@H](I)CCCCCCOC(=O)CCCCCCCC[C@@H](I)CCCCCCI 2356626237 PRINCSJYZDAODI-FIRIVFDPSA-N 902.559 11.887 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=CCCC2CCCCC2)CC[C@@H]1CCN 2356644331 BKMFVVWBAITYIA-MAIBLVMXSA-N 696.076 9.231 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCCO)CSSCO4)[C@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356670052 YHOVGEDRLIFPDK-YKLBWDMCSA-N 800.989 5.505 50 1 KKGF CC1=C[C@H](OC(=O)c2cccnc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@]2(C)[C@H](OC(=O)c2cccnc2)C[C@]2(C)O[C@H]2CC1 2356713480 JZUGYIGNDSBHOY-CIDYCEBSSA-N 696.797 6.963 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356737329 JZFDJBWAQDPEDG-OTNVGNMGSA-N 701.005 6.077 50 1 KKGF C=C(C=CC=C(CO[C@H](CO)CCCCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356774746 CLVNFWVWWUUJSE-APDXAPAKSA-N 871.257 7.937 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C3=C5C(=O)O6)N7)[C@H]42)CCCC1 2356813456 CHBSJNZVPZQNBT-UXRCCNJVSA-N 991.330 8.302 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@@H](O)[C@H]3C[C@@H](C=C[C@H]1C3)C2 2356845458 OFDGRCGXCJYOGD-DXGSGEIKSA-N 826.138 6.111 50 1 KKGF CC(=O)c1ccc(NC(=O)NNC(=O)c2ccc(CCN3CCC(c4nc(COCC(F)(F)F)c(-c5ccc(F)cc5)o4)CC3)cc2)cc1 48307308 BRODFOHRIRVBKD-UHFFFAOYSA-N 681.687 6.651 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)C[C@@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCC(C)CC1)OO5 82178726 ABAPNRUCCZDZNU-UQJTYSHNSA-N 675.904 7.184 50 1 KKGF O=C(NCCCCCSSCCCCCNC(=O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O)/C(Cc1c[nH]c2ccc(Br)cc12)=N/O 95574551 FQPYMBOFEAYQRS-NXRKLTDKSA-N 794.636 7.574 50 1 KKGF O=C(COc1c(Br)cc(Br)c2cccnc12)N/N=C/c1ccc(Br)cc1 96910084 XSFHBGVMBZZSIG-NUGSKGIGSA-N 542.025 5.051 50 1 KKGF COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@@]35OO4)cc1 169371757 PNDVIXRDIGWBLN-ARCBJKJGSA-N 500.510 5.130 50 1 KKGF COc1ccc2nc3c(c(C)nn3[C@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c(Cl)c2c1 170114631 GULGEVVCYKRKLR-SQJMNOBHSA-N 617.244 6.165 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@@H](Cl)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 195511725 MUQIOBLJHGULKS-JPRXVLTRSA-N 728.161 5.452 50 1 KKGF CN1CCN(C(=O)COc2ccc(/C=C3\C[C@H]4[C@@H]5CC=C6C[C@H](Cl)CC[C@]6(C)[C@H]5CC[C@]4(C)C3=O)cc2)CC1 199612974 AFPXSJKULFZBQM-MBWNQYRHSA-N 551.171 5.972 50 1 KKGF Cc1ccc([C@H]2CC=C(CBr)[C@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 261184740 XAQPUAJCGPRLQN-WDYNHAJCSA-N 552.578 7.799 50 1 KKGF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586878549 JNUJIFLEOQSFEI-UHFFFAOYSA-N 531.344 8.498 50 1 KKGF O=C1COc2cc(Br)ccc2N1CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587000693 SMVBQAYUBIZNKB-UHFFFAOYSA-N 577.167 6.713 50 1 KKGF CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2cc3nc([C@@H](Br)C(C)(C)F)[nH]c3cc21 587086595 DTPXJKTYPSGNGF-RUZDIDTESA-N 609.404 6.166 50 1 KKGF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1F 587151152 QJUHMWQYYBLFCX-IBGZPJMESA-N 541.286 8.429 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)[C@H]1c1ccc(F)cc1 587320224 FBHPINPGRGPADC-UKILVPOCSA-N 563.206 7.142 50 1 KKGF COc1cc(C)c(Cl)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321126 IKQPRLNVQXLHFW-VWNXMTODSA-N 505.767 6.151 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587324453 ZKBDNPJWQOFBTK-IAPPQJPRSA-N 531.381 7.596 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587542592 HOTBRQBTEXPMPP-RUMFTMGHSA-N 525.944 5.408 50 1 KKGF CCCSc1nnc(COc2ccccc2C2=NO[C@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653698641 SVWHJMJEPBBDDC-FQEVSTJZSA-N 554.887 5.841 50 1 KKGF CCCCCCCCCCCCCC[C@@]1(CBr)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962972295 QTQGDIXBJVZLCY-PHEVRVRASA-N 705.130 8.980 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963225630 ANXJXZGMOIVOAT-XTVHENIVSA-N 891.909 8.728 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356362216 CRDTWDVBXHKDJW-LOAOKMRLSA-N 927.321 8.239 50 1 KKGF CCC[C@@H]1[C@H]2CC[C@@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356363954 ROHRQEVSRZLHDH-JVJXTYKASA-N 872.166 8.957 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@@]2(C1=O)[C@H](CO)CCC[C@H]2CSS[C@@H]5O 2356365587 OIVWPVNFIYEIDI-SYTYCUNZSA-N 954.302 6.068 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@H](O)C2)Cc2cccc(c2)C1 2356514499 HLEZDKCXSQGEJG-PTPUPJDTSA-N 915.266 5.880 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SS[C@H]3C=Cc4c(ccnc4N3)C2)CCCC1 2356536874 SVVCLGAAKCQWQY-FRRYJTJRSA-N 727.993 7.988 50 1 KKGF COc1cc2c(cc1OC(=O)OC(C)(C)C)CCN[C@@]21CS[C@H]2c3c(OC(=O)CCCl)c(C)c4c(c3[C@@H](COC1=O)N1[C@H](C#N)[C@H]3Cc5cc(C)c(OC)c(O)c5[C@@H]([C@H]21)N3C)OCO4 2356590346 LDSCRYJYWATDQQ-GLPOHYDNSA-N 919.450 6.204 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@H](O)[C@@H](c1cc(OC3CCCC3)c(O)c(OC)c1O)O2)C4 2356732837 ZSRPJBMLRABGBR-WLRDVXTCSA-N 680.885 8.228 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@H]1C(=O)COC(=O)OC(C1CCCCC1)C1CCCCC1 2356754852 YHKWQBFYBUXNDL-ULERBPLJSA-N 633.697 8.987 50 1 KKGF CN[C@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 2356779171 NEEHQXFBTHMKGK-JADSYQMUSA-N 633.832 7.893 50 1 KKGF O=C[C@]12OCSSC[C@H](c3cc[nH]c3)[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)c(-c4ccc(O)cc4)coc3c1)O[C@@H](C(=O)O)[C@@H]2O 2356828532 IHUWGYMZEOWRBA-PMBYPOPOSA-N 893.049 6.520 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@H](c2cccc(O)c2)SSC1 2356863633 VHHUEMMKDJEWCT-MUMCFHHVSA-N 580.772 5.831 50 1 KKGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 84596441 FPNQNAVGFQWXQM-WCMJOSRZSA-N 662.298 6.642 50 1 KKGF C[C@@]1(O)CCC[C@H]2c3c(c4c5oc(cc(=O)c5c3OC3CCCC3)[C@H](O)C3(CCCC3)[C@H](N=C(N)N)CSSC4)O[C@@H]21 85594377 YOLPUAFBZPDSDY-UTPUDNBUSA-N 615.818 5.025 50 1 KKGF biogenic,in-vitro N#CC1=C(N)N(c2cc(F)ccc2F)C2=C(C(=O)CCC2)[C@@H]1c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96908493 UKUJKFPHJBSRJR-GDLZYMKVSA-N 545.549 6.482 50 1 KKGF CCC[C@@]1(C[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169361497 ZHVQBIHGGSQOSC-YXPDNBOYSA-N 590.710 5.324 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 169363556 ZYNDZWJYJYLFBP-WUYLSJFFSA-N 540.716 7.099 50 1 KKGF O=S(=O)(NCc1ccco1)c1ccsc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586945391 DXGGMGYFKLNBGO-UHFFFAOYSA-N 564.377 6.783 50 1 KKGF COC(=O)c1cc(Br)c2[nH]c(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2c1 587057562 VKWKKXSSBDCZIS-LZYBPNLTSA-N 544.236 6.891 50 1 KKGF CC(C)(C)c1cc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc(C(C)(C)C)c1O 587323578 RWLRLNMBCZIISD-SETSBSEESA-N 555.484 7.481 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324946 VUNGRTUPXUMYII-BTIIJPOSSA-N 545.950 5.761 50 1 KKGF C[C@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)CC(=O)c3ccc4c(c3O2)CCCC4)C1 587536562 WOBRKTSAGMRYDS-GEMQDWRSSA-N 576.202 8.136 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1F 587559834 ZKAQBEBZCFEWFE-RXVVDRJESA-N 508.137 5.546 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OCc3ccccc3)c2)N1 587673931 RRNBJKQVPGYEMH-UPCLLVRISA-N 519.252 6.340 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 587710458 GLMGFYXUUPURKY-RBHXEPJQSA-N 550.015 7.087 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)([C@H](NNC(=O)c2ccccc2)c2ccccc2)N1 587746733 HUKFZCQJWORVEP-QTLOAYRYSA-N 544.468 6.042 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)N[C@H](C)Cc4ccc(F)c(Br)c43)sc2n1 587854128 BNJGTZHSGAAPSR-VERVWZFWSA-N 510.860 5.790 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccsc1-c1ccc(C(=O)CBr)cc1 587895432 DZLHGONTISYBTI-UHFFFAOYSA-N 521.263 6.010 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(CCCCC[C@]2(CBr)C(=O)OC)N1 963157940 BIPJOZWYESQTKR-AQSWXANUSA-N 682.659 6.681 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1C[C@@H]1CCCO1 963175816 MQWPNDWAEPEKLC-REDKUUPNSA-N 505.364 5.037 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCCCCCl)(c2ccc([N+](=O)[O-])cc2)N1 963177569 DBXMMFHWERGPMS-DYESRHJHSA-N 505.320 5.909 50 1 KKGF CCc1ccc([C@]2([C@H](C)Cl)c3ccccc3C[C@@H](C(=O)NC)N2C(=O)[C@H](CC(C)C)[C@H](CSc2cccs2)C(=O)NO)cc1 963937651 HEJFHUMZAGSSMQ-XWSNIQLHSA-N 656.314 6.257 50 1 KKGF C=C1/C=C/C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1 1772585983 JZTIHGYKMIPWKD-PLEQCSMWSA-N 718.024 5.544 50 1 KKGF COc1ccc2c(c1)c(/C=N/NC(=O)C(=O)c1c[nH]c3ccc(Br)cc13)cn2Cc1ccc(Cl)cc1 1857744655 UGYXLTBICUHUGV-KLPHOBTLSA-N 563.839 5.928 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356350324 ZUZGPHNUFQLOEK-KFBNJJJQSA-N 815.067 8.352 50 1 KKGF CCC[C@@H]1[C@H]2CC[C@H]3C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356358500 PZJRDUHNJQSFCY-YLJYTTBISA-N 856.167 9.842 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356365113 FULNLRDXYJQSJM-SSNFOSRDSA-N 819.181 7.217 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@]34C)[C@@H](O)CC1=C1CCCCC1 2356426492 BPXQNQJDWXKFHW-KMBXHVAPSA-N 739.101 7.704 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 2356443361 JGLSJPDQQYTORX-NJHZRGNWSA-N 669.771 6.145 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@@H]1C=CC[C@H](C)C1 2356482574 QRLRTTIDFWWHKD-ABPNWCGPSA-N 806.097 6.157 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](O)[C@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H]1O 2356499840 LHICTIBASFRESH-IYIVVUQRSA-N 688.173 10.233 50 1 KKGF CC(C=CC=C(C)C=CC=C(C)C=CC=O)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C 2356602497 BHSZYKGHISLXHM-UHFFFAOYSA-N 508.790 10.781 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSS[C@H]3C=CC4=C(NCC=C4[C@@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356828594 IIMNPDLDBDWFDJ-FQEVCORHSA-N 765.998 7.057 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356846835 OQVOWBVIJIZBAB-YSZCQDCESA-N 967.176 6.753 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CC)CCC[C@@H](CC4)[C@@H]3O)C=C12 2356857190 SHEBRRVVTNFFDL-AHIVQFSOSA-N 830.170 6.725 50 1 KKGF BrCCCCCCOC1=C[C]2Nc3cc(OCCCCCCBr)ccc3C=C2C=C1 2356857257 CXKLWGQIXBAZSN-UHFFFAOYSA-N 538.344 7.787 50 1 KKGF O=C(Cc1c(SSc2[nH]c3ccccc3c2CC(=O)NCc2ccccc2)[nH]c2ccccc12)NCc1ccccc1 14944309 ATSKCEZXZQLMAV-UHFFFAOYSA-N 590.774 7.166 50 1 KKGF CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@@H](CC[C@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]32C)C1=O 28526732 UYLUNZVIASNMRS-QHOPTXNBSA-N 539.109 5.409 50 1 KKGF O=C(c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)C(Br)Br 49784653 YMFAPICYRIGBPP-LIKPIUCQSA-N 551.234 5.382 50 1 KKGF COc1ccc([C@@H]2N(c3ccc(C)c(N=C=O)c3)C(=O)N3[C@H](c4ccc(OC)cc4)N(c4ccc(C)c(N=C=O)c4)C(=O)N23)cc1 73388312 VOIIMXSUAHAOAY-ROJLCIKYSA-N 616.634 6.752 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 85595617 WVDOCPJINAFKLC-KKNRFJKOSA-N 796.058 5.352 50 1 KKGF biogenic,in-vitro CC(=O)N(c1ccc(C[P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1)c1ccc(C[P+](c2ccc(C)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95551724 SLVXUIUNHOPFBC-UHFFFAOYSA-N 846.048 12.210 50 1 KKGF NC(=O)c1[o+]c2cc(O[C@@H]3O[C@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](C6=C[CH+]N=C6)[C@@H]([C@@H]6CC#CCC[C@@H]7C=C/C(=C/C6)c6ccccc67)CNC[C@]35O)[C@@H]4O)ccc2c(=O)[c-]1-c1ccc(O)cc1 150343933 XXXOHUNYSJSMJQ-SAPUAHRJSA-O 983.110 6.087 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC3(C[C@@H]4O[C@H]5O[C@]6(C)CC[C@@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@@]57OO6)CO3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169289977 DDYNFKIYCLNEIZ-ZFWJEAGNSA-N 604.781 6.037 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169354572 RWPJHYYGAGYJMG-MQJMVVCHSA-N 846.465 6.345 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 169358124 ZMYCLKSPUUAQFN-KUNRAAKCSA-N 945.072 7.011 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169361611 YCOIJPSIDUQDNN-BETOQHPWSA-N 812.448 5.694 50 1 KKGF CCOC(=O)/C(=C/c1ccc(OC)c(O[Si](C)(C)C(C)(C)C)c1)C(=O)c1cc(OC)c(OC)c(OC)c1 195217271 NUYDUNFRWIRHSA-XSFVSMFZSA-N 530.690 5.934 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CCC3=C([C@@H](CCl)C[C@H]4[C@@]3(C)CC[C@@H]3[C@](C)(C(=O)O)[C@@H](O)[C@@H](O)C[C@@]34C)[C@@H]2C1 238780986 CWHJIJJSDGEHNS-ZKGRGWDWSA-N 537.137 5.488 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCC1 299823123 KDDAHMJSDNKWMA-GMEAVFFOSA-N 570.665 6.122 50 1 KKGF O=[N+]([O-])c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Sc1nc2ccccc2s1 587037202 FYIHTWNOTFRJKI-UHFFFAOYSA-N 609.421 9.319 50 1 KKGF Fc1ccc(Br)c(-c2nnc(CCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)o2)c1 587156887 AKQPPLOAKBHAIH-UHFFFAOYSA-N 513.261 6.957 50 1 KKGF O=C(Cc1ccc(CBr)cc1)OC[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321034 HVEXMKHBOMNJKC-VEEOACQBSA-N 575.430 6.467 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587323410 REBMRFNRCNDOAX-YTMVLYRLSA-N 578.390 6.668 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccc(F)cc1 587571690 OPMFEVLQHQDQCI-GHJCJULXSA-N 506.961 5.747 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C(Br)(Br)CBr)N1 587670014 HNXRLVODSSRRRN-UPONEAKYSA-N 508.849 5.045 50 1 KKGF COc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(Cl)c(C)c1[N+](=O)[O-] 587672492 GHTALJWMNVFLIP-UGZDLDLSSA-N 536.623 5.640 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587685690 AUDKJLASNPBHGY-JQRIVJTKSA-N 517.826 5.621 50 1 KKGF COc1cc([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587720381 SUBWWKRTCIPWQO-GIGQVBGESA-N 509.160 5.371 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2I)N1 587736362 AFIKHYZIADPTAV-XYZCENFISA-N 617.920 6.128 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 587843044 YAWMMDANBNBKEI-ORAYPTAESA-N 593.371 5.647 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 587940792 PNMFUPMWQPNOOK-SDEXRPAHSA-N 813.386 5.216 50 1 KKGF C=CCN/C(SCC(C)=O)=C(\C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)c2ccsc2CCN1Cc1ccco1 962703374 GWGZIUWJCDSBOH-CCNUCFJPSA-N 657.865 7.427 50 1 KKGF O=C(NNc1ccccc1)c1cc([C@@]2(c3ccc(Cl)cc3)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c[nH]1 963037930 LVFXNRNWTHXDMC-WGYIJZORSA-N 745.182 8.256 50 1 KKGF COc1ccc(C)cc1[C@]1(CBr)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045811 ZEKBATRSSNLFQK-XQJOSWFISA-N 648.500 7.181 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl)c1[nH]c2ccccc2c1C[C@@H]([C@@H](O)CC(=O)O)N5C(=O)OC(C)(C)C 963071996 YPERBYKKHBOMDD-PWISGKMASA-N 851.821 7.674 50 1 KKGF Cc1cc(C)c([C@]2(C)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1CCl 963098494 QNYXOBIHAMBZMG-VQIIKMDRSA-N 600.202 8.918 50 1 KKGF COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CCNC(=O)CCCC[C@@H]2CCSS2)CC1 1857572207 SXQPEUUQZGVUJD-LJQANCHMSA-N 528.184 5.436 50 1 KKGF COc1ccc(C(=O)/C=C/c2cc3c(c(C(C)(C)C)c2)OC(N)=C(C#N)[C@H]3c2c(C)[nH]c3ccc(Cl)cc23)cc1 1857633903 HKMUZCDMNNFJMU-VUKSNCGASA-N 552.074 7.550 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@]1(Cl)C[C@H](Cl)C(C)(C)O[C@@]1(C[C@@H]1C(C)(C)[C@H]3CC[C@@]1(C)O3)C2=O 2356336488 NLSPRIUKOHATQS-KEKFYEDASA-N 511.442 5.292 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(C)O)[C@H](O)CCCCC)CCC=C(C)C 2356359368 JKCXASONVGQKQO-PALAPRRJSA-N 580.850 6.941 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2)C[C@H](C)O 2356406803 HLPQTBYALSDBMP-YZQHZPBISA-N 918.279 10.763 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@@]4(CC=C(C)C=O)C5=O)C3=O)C=CC(C)(C)O2 2356608087 COQAPWLZSHQTKA-NOCKUFOYSA-N 544.644 5.627 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356806868 AIGXWSFXZCOXQJ-CRPNETQLSA-N 957.361 8.918 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNC6=CC(=CCN6)CC3=C4C(=O)O5)[C@H]21 2356812301 BTGXWGDPMCUEKP-YFWPOMIYSA-N 651.895 5.723 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)C2(CCCC2)SSC1 2356848029 PBWITEXPFLETLN-GDJIYFAZSA-N 542.767 5.697 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@H]1CCSS1)O2 27436357 ZFWOHCPEQUNEBA-MMTVBGGISA-N 528.740 6.692 50 1 KKGF C=C(CC[C@@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 28257757 ZAFALSYXVNIPJK-XHUBHDEASA-N 587.636 5.989 50 1 KKGF O=C(c1ccccc1SSc1ccccc1C(=O)N1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O 29468660 CHXQEUVXVNJZFQ-UHFFFAOYSA-N 564.600 5.359 50 1 KKGF Cc1cc(OCc2c(-c3ccn(C)c(=O)c3Cl)noc2[C@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622154 IUZNHDFGXNJAHF-INIZCTEOSA-N 566.441 6.738 50 1 KKGF CN(C)CCNc1cc(-c2ccccc2)c2c(N)c(C(=O)N/N=C/c3cccc4ccccc34)sc2n1 71315757 JTYFDZAVEBVRAW-KCSSXMTESA-N 508.651 5.436 50 1 KKGF C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cccc23)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 95606834 MVUVLVTUOPWASS-SDPKUKDRSA-N 780.958 11.450 50 1 KKGF N#Cc1c(-c2ccc(Cl)cc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 96933462 XSLUWYIHOGVUOP-JWQCQUIFSA-N 526.383 6.218 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccc(OC)cc2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293428 YHZRXOKZWFROTJ-UHFFFAOYSA-N 506.668 6.815 50 1 KKGF CCO[C@@H]1[C@@H]2C[C@@H]3C(C)(C)O[C@@](C/C=C(/C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 103841266 IKFKEJSONUWRCD-DOEPIXHWSA-N 590.713 5.722 50 1 KKGF in-man COc1cc2c(cc1OC)/C(=C(\C=O)c1cc3c(cc1Cc1ccc(C[C@@H]4c5cc(OC)c(OC)c(OC)c5CCN4C)c(OC)c1OC)OCO3)NCC2 150355067 YFNGFDLAUMVQDZ-UFNZXGSSSA-N 752.861 6.051 50 1 KKGF biogenic,in-vitro C=CC[C@@H]1[C@H]2C/C(=N\NS(=O)(=O)c3ccc(C)cc3)[C@H](C)[C@H]2C[C@H]1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 207102306 AROFSCJBAALFKX-NFJNVBBBSA-N 600.901 6.443 50 1 KKGF COc1ccc(Nc2nc(NCCN(CCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nc(N3CCCCC3)n2)cc1 299847055 FUUCCTCGQBEXRX-SJSAYWBOSA-N 964.215 7.777 50 1 KKGF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586958388 JIJRIBBUROLINI-HNNXBMFYSA-N 522.315 5.452 50 1 KKGF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H](C)O1 586968797 QOYILQRJRMAXHZ-STQMWFEESA-N 610.472 7.832 50 1 KKGF Cc1cnc(Cl)c2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 587189391 BQHNGURXPSZOPH-URAOVWIZSA-N 611.227 6.952 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(Br)ccc(Cl)c2F)[C@@H]1c1ccc(F)cc1 587336014 SDOPHNJHRFVMQU-GCJKJVERSA-N 558.600 6.736 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CCl)O2 587371970 IVCDDFGBTGIGRK-XMMPIXPASA-N 500.338 5.225 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587496976 HAGBPOIAXJQZJD-MHTXLSKPSA-N 520.412 6.238 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587670039 HRDQHWCLDWYENZ-WIDSHULWSA-N 577.288 6.030 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685842 BLCJVGVWAVCGAE-DXPJPUQTSA-N 519.886 6.274 50 1 KKGF CCCCCCCCOc1cc(CBr)c(OC)cc1CC#Cc1cc(Cl)ccc1OC 587898828 RRASIJPJMQZXTR-UHFFFAOYSA-N 507.896 7.586 50 1 KKGF Cc1c(F)ccc2c1[C@@]1(CC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]1F)NCC2 962304021 YWATXOXBSJNPIC-UTVTVZQCSA-N 505.725 5.942 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc(CCNC(C)=O)cc1)([C@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962672965 FLLRVZVJWAXGSU-ADSBAMQRSA-N 589.054 5.971 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@@H](C)C3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680145 RYWPLMVDDZUSTD-CPVMILDDSA-N 739.300 9.374 50 1 KKGF N#CC1=C(N)OC2=C(OC(CO)=C[C@@]23c2ccsc2CCN3Cc2ccco2)[C@H]1c1cccc(C(F)(F)F)c1 962704443 GXJQZWLVDWWNKH-WNCULLNHSA-N 553.562 5.239 50 1 KKGF COC(C)(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](OC(=O)CBr)C(C)(C)[C@@H]3CC[C@]12C 1857773025 MKXJNPZVXKYFKW-DDSRACOCSA-N 613.718 7.295 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@H](CCc1ccccc1)CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@@H](C3)[C@@H](O)O4)CC[C@@H](O)CC(=O)CC2 2356371366 YHLDDUXULOWRDZ-JTAMVNQDSA-N 867.147 5.916 50 1 KKGF C[C@H](O)CCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356371718 OOKVELPPMMNHTL-VOZVRENKSA-N 890.181 8.317 50 1 KKGF CNC[C@@H]1SSC[C@H]([C@@H]2C[C@@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@@]1(NC(=N)NC)C2 2356372081 XTAIHWXIGKTBQY-VVQKAHNOSA-N 796.025 5.618 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1[C@@H]1C=C(C)CC[C@H](Cl)[C@@]3(C)CC[C@@H](O3)[C@](C)(O)C[C@H](O)C1=C(C)C2 2356383865 BEJASAFEMXKLJK-VVSAZWHDSA-N 719.400 7.492 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356396926 ALBVIGFPGWYMFA-VTLCVSCXSA-N 808.214 7.747 50 1 KKGF CC(=O)O[C@H](CC=C(C)[C@@H](Cl)C(Br)Br)[C@@](C)(Br)CCl 2356453622 DTCZNJROCVEBBU-FOGDFJRCSA-N 503.884 5.370 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356508182 RUGXEKJDFWNRGN-PUQVAREJSA-N 671.016 10.874 50 1 KKGF CC(=O)OC[C@@]1(C)[C@H]2CC[C@]3(C)[C@H]([C@H](OO)C=C4[C@@H]5CC(C)(C)CC[C@]5(C(=O)O)CC[C@@]43C)[C@]2(C)CC[C@H]1OC(C)=O 2356751146 UKENQNLKEMTBEX-RGXWUFTCSA-N 588.782 6.816 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CCC[C@H]2CN(CCCOC)CC[C@@H]21)C3 2356772567 BWGPDNSPIHWCMR-IBDWCABMSA-N 812.957 5.313 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c(O)c(OC)c1O 2356779144 MNHVTROLHFBJLR-BMSKAFQZSA-N 626.793 6.916 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@@]1(C)[C@H](Cc2cc(Br)cc(I)c2O)C(=CI)CC[C@H]1Br 2356803314 WXXULYIEJCRYJU-CMOHQRLCSA-N 980.965 11.099 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@H]43)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356832021 HZAKLJZSHCLBIK-NXGZWETDSA-N 836.133 8.697 50 1 KKGF CC(=O)Nc1ccc2[nH]c(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 3974531 BIIZHPQOVMNVIQ-HXUWFJFHSA-N 592.055 6.702 50 1 KKGF CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)cc(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)c1 28863607 VIYONFXJRFZLAO-UHFFFAOYSA-P 719.028 7.058 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCCCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44281148 NPHQTUSQVPWZBE-XFDQOZDGSA-N 558.163 6.701 50 1 KKGF C=C1[C@@H](OCCCO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H](C2=C)[C@]53OO4)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@]42OO3 49899546 QCTJHKNYAHBKES-DGOUOQAESA-N 604.737 5.666 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)OC)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 58468830 HHGWPSNIYNYHFI-ULAGWNPCSA-N 604.825 7.679 50 1 KKGF COC(=O)[C@@H](NC1(c2ccccc2)c2ccccc2-c2ccccc21)[C@H](C(=O)OC)N(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 82185294 OYRSWVWOSZFOMX-MPQUPPDSSA-N 699.760 6.112 50 1 KKGF C[C@]12CCSSC[C@]3(CCCC4=C5[C@H]6CC[C@@H](C[C@H]61)[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 103525203 XNGSDPRAMXPNFI-UTTNIYDWSA-N 517.805 5.089 50 1 KKGF biogenic,in-vitro C/C(=C\[C@H](C[C@](C)(O)[C@H](O)CCC#C[Si](C)(C)C)S(=O)(=O)c1ccccc1)CC/C=C/CO[Si](C)(C)C(C)(C)C 195810788 WCUZPHRTMOZVOF-BSCQWELASA-N 607.018 7.296 50 1 KKGF C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3)C(=O)N(Cc3cccc4c(-c5ccc(C(=O)NNC(C)(C)C)cc5)cn(C)c34)C[C@@H]2N1C(=O)NCc1ccccc1 217571455 WUQQGTBJNNXQJA-YDAXCOIMSA-N 782.946 5.320 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C)[C@@H](OC(C)=O)C[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 261184041 WVNFKYOJEUPNMY-OLMWJSBESA-N 540.785 7.316 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299846761 UJIKLXMQKBWTMY-TYVZXKMCSA-N 561.645 8.150 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C=C/CBr)[nH]c3cc21 586974433 WLNOFTIURYZMAP-MDZDMXLPSA-N 601.545 7.231 50 1 KKGF Nc1c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)sc2cc(Br)ccc12 587031403 NNMSJHLNLDVRBJ-UHFFFAOYSA-N 549.182 8.209 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058401 YSLKPRIRETZRTM-OQLLNIDSSA-N 507.368 7.953 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc2c1 587061025 ZHRPMPHXZVLRHS-UHFFFAOYSA-N 560.773 9.518 50 1 KKGF O=c1c(-c2nc3cc(S(F)(F)(F)(F)F)ccc3[nH]2)cccn1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 587110758 JUWSUBBVSZSPHZ-UHFFFAOYSA-N 563.392 8.135 50 1 KKGF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587264867 UURUGSFULRKRSN-VIFPVBQESA-N 560.295 7.242 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587495948 AZGRIXXTZGPEJP-NDEPHWFRSA-N 506.385 5.850 50 1 KKGF O=C1C[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)Oc2c1ccc1c2CCCC1 587508229 UCCSYZFEQZUPBP-QFIPXVFZSA-N 503.286 6.024 50 1 KKGF O=C(NN[C@@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)c1ccccc1 587508873 FTACEGBNCHCFFQ-CQTOTRCISA-N 502.614 6.102 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(Br)cc3F)c(CCl)c2c1 587620200 RYCBAOVJZQUBMU-UHFFFAOYSA-N 568.808 6.193 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(F)cc1 587735458 PXZHRHANUGDGGE-MQNRADLISA-N 507.850 6.405 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2C(C)(C)[C@]12OC(C)=O 587813641 WINCTAXUEDMZIK-YJXSUEJESA-N 828.901 8.722 50 1 KKGF O=C(c1ccccc1Cl)[C@@H](Cl)[C@]1(c2ccccc2Cl)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962574525 UZXMOGXJEHKBIH-PQLFEHCQSA-N 698.002 8.383 50 1 KKGF Cc1ccc([C@]2(CBr)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)o1 963076085 GUQNJTBKSVNOKF-BYYXFNHRSA-N 758.558 8.183 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](C)(c2cccc(N3Cc4ccccc4C3=NC(=O)CCl)c2)N1 963174130 QJCAVUCUZNEKIF-FQDNZFBXSA-N 746.311 7.763 50 1 KKGF C[C@@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857575638 BFIVNAPYVHKKMR-MRXNPFEDSA-N 526.427 6.753 50 1 KKGF Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(F)cc3)S/C2=N\NC(=O)c2cc3ccccc3oc2=O)c1 1857619375 SAPWTKCQKHRZRO-ICEIDMMXSA-N 513.550 5.371 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NC1CCCCC1)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 2356384243 MKVYLPQCQMASCH-GAGDWTTLSA-N 789.073 9.175 50 1 KKGF CCCCCCCCC=CCCCCCCCCCCCCCCCC=C(C=O)CCCCCCCCCCCCCCC=CCCCCCCCC 2356528972 OGUCKGGYYGQARA-UHFFFAOYSA-N 739.355 19.038 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]([C@@H]2CSSCc3ccccc3CC[C@@H](c3cccc4cocc34)CNC(=N)N2)C[C@@H]1Cc1ccc(O)cc1 2356551042 YIQCQQIPQHJEIU-UYWHVKJHSA-N 986.442 12.890 50 1 KKGF C[C@@H]1C(=O)O[C@H]([C@](C)(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](C)[C@@H]1O[Si](C)(C)C(C)(C)C 2356702729 RBEUVCBWGYYPIB-LMBLOSGASA-N 574.834 7.334 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@@]23CC4(CCCC4)C[C@@H]2C=CC2=CNCN23)SSC1 2356806233 AFSKUKXMASAGAJ-KXIXRYRQSA-N 700.971 7.736 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356809746 ASSYQPXIDJTPOE-CARPHTCGSA-N 639.968 7.292 50 1 KKGF CCC1=C(C=O)c2cc3[nH]c(c(C)c4nc(c5c6[nH]c(cc1n2)c(CC)c6C(=O)C5)[C@H](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)[C@H]4C)c(C)c3[C@@H](C)O 2356812218 BIPZDMSBLSMZRQ-VKJNLCHUSA-N 799.069 11.436 50 1 KKGF CCCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@@H](C)[C@@H]1CCC(=O)OC 2356826851 HKUFOFCGDABZAJ-XJABCFGWSA-N 620.750 5.992 50 1 KKGF COc1cc2c(cc1OC)CN(CCCCCC[C@H](Sc1ccc(C)cc1)c1ccc(OC)c(OCCCl)c1)CC2 26259767 UCPKKHBZTKCRSR-UMSFTDKQSA-N 598.249 8.481 50 1 KKGF CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCBr)C/C(=C/CCCC(=O)O)C[C@H]12 27517296 JBOMKSHMNRADSH-YYFGBYQCSA-N 505.493 5.090 50 1 KKGF CCCC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 29320434 RKHWUAXLXKKFRJ-NRFANRHFSA-N 621.093 7.747 50 1 KKGF O=[N+]([O-])c1cccc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccc([N+](=O)[O-])c2)c1 29395537 RKVHTSIJMWGSJL-UHFFFAOYSA-N 620.886 6.064 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1 36176381 QMMNPJKVOZYGDW-COWFKMKXSA-N 634.777 6.162 50 1 KKGF CCCCCN(C(=O)CCCCBr)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 36188468 HMRMTWUTVVIJSI-VFRKKVTHSA-N 537.627 6.802 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(NCCNCC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c2c1 42809020 IXRKFDKYYJYAKZ-IVAXVBPKSA-N 596.168 6.692 50 1 KKGF CCCCCCCC[C@@H](Br)[C@@H](Br)CCCCCCCCO[P@@](=O)(O)OCC[N+](C)(C)C 43022041 RUUABZPZVNLUHZ-PKTZIBPZSA-O 594.430 7.835 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@H]3CCN3C(=O)Cc3cnc(N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CCCO)c(=O)oc3cc1O2 85594586 IUFWCOHHMYFIKU-SADLGVKWSA-N 761.963 5.288 50 1 KKGF biogenic,in-vitro O=C1c2ccccc2C(=O)c2c(NCCN[P@@]34=NP(NCCCl)(NCCCl)=N[P@](NCCCl)(=N3)OCCOCCOCCOCCO4)cccc21 150599114 YFWLZJMSNJAZQQ-IKLFXBHTSA-N 828.012 5.898 50 1 KKGF O=S(=O)(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586948911 MULKHMRMXWTGFV-UHFFFAOYSA-N 646.457 9.243 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)cc2)([C@@H](Br)CC(=O)O)N1 587669224 BRXQYXBTKKXCLC-ABCOOTEDSA-N 505.609 5.258 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl)N[C@H](C)Cc1cc(Br)c(F)cc15 587722412 YKCFFGMSCYLCCG-MDBQMVGQSA-N 624.994 5.904 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21)c1ccc(F)cc1 587730384 FRINOEZLERQXHL-LFISDPJVSA-N 508.838 5.972 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)C1 587737879 HYCDJDLODKQLMX-KYSOOBOKSA-N 670.445 7.627 50 1 KKGF CCCCCCCCOc1cc(CC#Cc2cc(Cl)ccc2OC)c(OC)cc1CBr 587898479 KVJLGSZZBOVRDY-UHFFFAOYSA-N 507.896 7.586 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F 961751568 RYOPNPXDLBMFSQ-DEOSSOPVSA-N 561.389 6.773 50 1 KKGF CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H]([C@@H]2C1)[C@]1(C=C2[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)NCCc2cc(-c3ccccc3)ccc21 962674618 YFENIKCTUWZADX-PJIZQISISA-N 670.938 9.430 50 1 KKGF C[C@]1(c2cc(F)cc(S(F)(F)(F)(F)F)c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961886 XBITUZDCOPPULV-LJQANCHMSA-N 505.446 7.417 50 1 KKGF Nc1ncnc2c1nc(Sc1cc3c(cc1I)OCO3)n2CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1911570751 UCQXQAVJFJOMRN-UHFFFAOYSA-N 814.754 9.008 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1[C@@H]1C(C#N)=C(N)N(Nc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1911578577 OUJZFIUHWFYSQV-PMERELPUSA-N 592.650 7.015 50 1 KKGF C=C(CO)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H]1OC(=O)C(=CCCC(=CCCC(C)=COC(C)=O)COC(C)=O)CCC(=C)C(C)C 2356316078 BPCGMFPONKVIER-GBFSBFEXSA-N 764.909 6.757 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)c(O)c(OC)c1O 2356350247 YHKHYVBCLUKDQR-UWMGHLLSSA-N 686.845 5.811 50 1 KKGF 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C[C@@H]1CC[C@H]2[C@](C)(Br)[C@@H](Nc3ccc(O)c(CN4CCN(c5ccccn5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 103292666 RNUUIDACTZIFHW-IZQMHHLGSA-N 629.596 5.247 50 1 KKGF CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2CC[C@@](C)([C@H]3CC[C@H]4O[C@@H]([C@@]5(C)OC(C)(C)[C@H](Br)C[C@@H]5O)CC[C@]4(C)O3)O2)O1 137871268 HYDWCEOUTOROAM-PTXUCYLASA-N 603.635 5.200 50 1 KKGF Cc1ccc(C(=O)Nc2ccc(NC(=O)CCl)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1 141558936 ZKFZKBXDZAXEBR-UHFFFAOYSA-N 540.933 6.039 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)C[C@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@@H]2O)C3 150349122 HRECICNYSFMACR-TYQAAMNOSA-N 993.325 9.962 50 1 KKGF biogenic,in-vitro CCC[C@H](C)C[C@@H](/C=C/[C@@H]1[C@@H](Cc2cccc(O[Si](C)(C)C(C)(C)C)c2)[C@@H](COS(C)(=O)=O)C[C@H]1O[C@H]1CCCCO1)O[C@@H]1CCCCO1 205905572 WXQXQKMIIRXKKK-RFPANBRSSA-N 723.102 9.048 50 1 KKGF 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O=C(O)[C@H]1Cc2cccnc2[C@@](CCCBr)(c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962476126 RPRCQKURRBLQRW-CYTLCNBWSA-N 615.499 6.900 50 1 KKGF CC(C)(C)c1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962568856 IRNWKGNRAFWWDT-CAZXVXRPSA-N 760.356 9.049 50 1 KKGF COc1cc2c(cc1OC)[C@](C)([C@@H](Br)Cc1cccc(Cl)c1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683385 XXVWLUOWECODAE-RPLLCQBOSA-N 614.861 7.435 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CCCCCl)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962708586 IIEMEHGAOXJJQP-HCJVMEMPSA-N 692.634 8.109 50 1 KKGF CC(C)(C)c1nn(C(=O)CCCCl)c2c1[C@]1(c3ccccc3-2)c2cccc(F)c2CCN1[C@H]1CCSC1 962712848 NDCYRNURXLGDHH-WWOZWPLTSA-N 538.132 6.615 50 1 KKGF O=C1CCc2cc([C@@]3(CBr)c4ccccc4C[C@@H](C(=O)O)N3C(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)ccc2N1 962720805 VLQXGJDWURHFOM-BAOFOTJISA-N 729.622 6.327 50 1 KKGF C[C@]1([C@H](Br)Cc2cccc(Cl)c2F)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963030666 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CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@@](CNC)(C[C@H]2C[C@@H](O)OC)O3)C12CCCC2 2356357989 WHVXIKJOUVILHP-SGYRENOASA-N 945.302 9.180 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C[C@@H](C6CCCCC6)C[C@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356401228 XQPPHSJZWNGHCO-AAUNUGNESA-N 953.240 8.614 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@@H]2O)cc(OC)c1O 2356516406 WTTMGKRANVEFIH-MDEDVOCXSA-N 696.884 6.638 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356729531 PIMDWNBQQILOOE-ZKYPZDKSSA-N 861.221 7.973 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)CCCC(C)C 2356767874 IAQZLKZEXSJXOE-DQZGUEDHSA-N 623.919 6.388 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OCCC(C)C)c1O 2356768228 LAHZAMUNMXIZPN-KEALHMQISA-N 666.902 8.626 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](O)C[C@@]4(C#C[C@@H]3C=C12)C[C@H](c1ccccc1)CC[C@H]4CO 2356816723 DEFLZRDLYHDVAS-WKFWBNLBSA-N 966.320 6.842 50 1 KKGF NC(=O)[C@@H]1Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@]34O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1 2356824088 GRWRLLPNZUSQIP-FBHODBHUSA-N 933.094 5.410 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@H](O)C2CCCCC2)C1 2356846357 ONCVDSAPDQJCQN-KZNPSVTISA-N 891.254 5.892 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356856031 RVUXUFINZLOLON-ULOFCVEISA-N 931.323 8.699 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CCC7(CCCC7)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(C)=C2OC)[C@@H]4C)c1 2356861277 UHIADCSWPPTJSQ-HNZFJSFHSA-N 748.108 9.771 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53226772 HOSSTDYQJSAZTA-YADHBBJMSA-N 523.843 6.152 50 1 KKGF Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(Cl)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84706592 CJLCUXLBKPQFIV-XMMPIXPASA-N 518.448 6.613 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2Cl)c1 103195481 DDJSGYAGMYMQTJ-GOTSBHOMSA-N 587.257 6.299 50 1 KKGF Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ccc(Cl)cc2n1 103201753 YHYBCADSIZOHGY-YTJKISDPSA-N 578.109 7.229 50 1 KKGF Cc1c(-c2ccc(OC(F)(F)[C@H](F)Cl)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C 103206912 NBQXQVVQXUJELM-NRFANRHFSA-N 516.347 7.485 50 1 KKGF COC(=O)C[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2)C(=O)OC 103231909 MBMFWBARIKMGKJ-KQKLTYJDSA-N 634.814 5.427 50 1 KKGF CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 149842438 NDLULCUHFGKSRR-ZWUNQBBJSA-N 539.615 5.494 50 1 KKGF C[C@]12CCSSC[C@@]34N=C(N)NC[C@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 150342286 VWTHUPHZZBEJGK-MEEHEHDHSA-N 744.127 6.315 50 1 KKGF biogenic,in-vitro CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 169299307 INDBPULSIXDSCZ-LVXNQROUSA-N 523.998 6.744 50 1 KKGF CCCCC[C@@H]1CCC[C@H]2N[C@@H](CCCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@@H]12 195759924 PBOVJYYHOUXFBG-FIYDMCFWSA-N 533.917 8.241 50 1 KKGF CCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928848 KDEBQRHOJZQXGT-FADBTOOJSA-N 737.460 8.859 50 1 KKGF CNC(=O)O[C@@H](CC(C)C)c1nc([C@H]2OC(=O)/C(C)=C/C/C(C)=C/[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)/C=C(C)\C=C(C)/C=C/[C@@H](O)[C@H](C)[C@H](OC)/C(C)=C/C=C/[C@@H]2C)cs1 299821178 YTBWOCCYQFKYFH-YOGAUUCDSA-N 853.296 12.093 50 1 KKGF COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc(OC)c1OC 299839672 SZMBRKFJXGKLPZ-MHZLTWQESA-N 570.642 6.060 50 1 KKGF CC(C)c1ccc(N(CC(=O)NN=Cc2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 299854663 ATKDWDSVYATQGY-UHFFFAOYSA-N 571.543 6.193 50 1 KKGF COc1cc(Br)c([C@H](N)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC 586976095 SZVCYIIETQGEHV-AWEZNQCLSA-N 567.172 6.811 50 1 KKGF COC(=O)c1ccc(Oc2ccc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)cc1 587054365 FKLSOFABGOMWSH-STZFKDTASA-N 557.437 7.920 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(/C(C#N)=C/c3ccc(C)cc3)[nH]c21 587188758 WFQUGIHUBBDLMO-LHLOQNFPSA-N 623.757 8.196 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)ccc1Cl 587544638 FMWGYJAIJWIZPM-GHTZIAJQSA-N 513.693 6.316 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)(F)F)cc1 587559190 ZLYQGAMVCTVFJM-SQHAQQRYSA-N 543.925 6.794 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(OCc3ccccc3)cc2)([C@@H](C)Br)N1 587671580 UPOQGMXSTNUANR-RYUVBPIJSA-N 533.279 6.728 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CC[C@@H](C)C3)N1 587854604 DDWJHVQKHGNSRE-PVQQOCSKSA-N 618.056 8.075 50 1 KKGF CCOC(=O)c1c(C)[nH]c([C@]2(CCl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)c1C 962680208 SGRLFTYMHNSSDR-NDEPHWFRSA-N 579.015 6.025 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(c1ccccc1)[C@H](Cl)C(=O)Nc1ccc(Cl)cc1 963069187 SFNOSGMBOYTBMK-QJHOQPRMSA-N 638.548 6.308 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CCCCCCCl)(c2ccc(I)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963223733 LZCYCAVGDPBBMX-WOGQQFDQSA-N 826.040 8.507 50 1 KKGF COc1cc2c(cc1OC)[C@@H](c1ccc(Br)c(CBr)c1F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963796136 MPEAMIQZCWAKPW-AREMUKBSSA-N 630.308 6.339 50 1 KKGF C[C@@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857572027 WETIBOAWVAXBJA-MRXNPFEDSA-N 510.359 6.040 50 1 KKGF C[C@@H]1CC[C@]2(C(=O)OCC(=O)N/N=C/c3ccc(Cl)cc3)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@]1(C)O 1857764199 NIOUATCNFWKNTJ-DMNHFRCMSA-N 697.313 5.618 50 1 KKGF O=C(NNC(=S)Nc1cccc(F)c1)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 1911576438 SXPGVKMJSUDPHH-UHFFFAOYSA-N 533.632 6.600 50 1 KKGF C[C@H](O)NC(=N)NC[C@H]1[C@@H]2CCC[C@H]3[C@@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@@H](n4ccnc4)CSSC[C@H]4C[C@@H]3[C@@]2(C)[C@]4(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356372302 BIEAIYVRUSCGOT-QWZDREEKSA-N 908.329 7.553 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@H](O)C3CCCCC3)C2)[C@H]1CC(=O)O 2356447042 JWTUSGUHHGLFRQ-MMVCUTCWSA-N 708.043 7.588 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2C1 2356664074 GZXFTIBVEUGZSC-RQXAMAIMSA-N 601.077 10.386 50 1 KKGF CN[C@@H]1CSSC[C@H]2c3cc(O)ccc3[C@@]34[C@H](CC[C@@]35[C@H](O)[C@H]1C[C@@H]1[C@@H]3CC[C@H](O)[C@]6(O)O[C@H](C(=O)Oc7c(CO)[nH]c8ccc9cc%10ccccc%10cc9c78)[C@H](O[C@H]15)[C@]36O)C[C@@H]1CC[C@H]2[C@@H]14 2356747379 ORYJQCRFEHWISW-RUNHJYRPSA-N 947.185 6.392 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@@H]2CSSC[C@@]3(CO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356777439 VVIBUPALDZALMU-JZHTWTEGSA-N 711.899 6.526 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](CO)([C@@H]3CC[C@@H]4O[C@H]([C@]5(C)CC[C@H](Br)C(C)(C)O5)CC[C@@]4(C)O3)O2)O1 2356797765 OKXDJPPMYREZLD-OUIFEIAASA-N 603.635 5.202 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@]4(C=O)OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CN[C@H](O)[C@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356823264 GKMARRBSAMQWQD-UCYIBWOISA-N 976.095 5.418 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356869279 XKJIHESQQBIMNO-JBFFVFBNSA-N 571.849 5.589 50 1 KKGF N[C@H](Cc1c(SSc2[nH]c3ccccc3c2C[C@@H](N)C(=O)NCc2ccccc2)[nH]c2ccccc12)C(=O)NCc1ccccc1 27429607 MCNYLFAPBYIPPD-LOYHVIPDSA-N 648.858 5.821 50 1 KKGF O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1SSc1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1 29467199 WHSBVRBPSIYEHO-UHFFFAOYSA-N 592.586 9.028 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccc(Cl)cc3)cc1)C2 64560545 RUXZCCACMMAGFR-KVAAJVFYSA-N 577.512 6.450 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3ccc(Cl)c(Cl)c3)c2c1 72173450 NYFFLHZUQFBYAL-UHFFFAOYSA-N 564.304 7.608 50 1 KKGF CC1(C)O[C@@H](CP(c2cccc3ccccc23)c2cccc3ccccc23)[C@H](CP(c2cccc3ccccc23)c2cccc3ccccc23)O1 78095203 RVUUGKUBKDAGSX-COCZKOEFSA-N 698.783 10.385 50 1 KKGF O=C1c2ccccc2C(=O)c2nn(N=P(CP(=Nn3nc4c(n3)C(=O)c3ccccc3C4=O)(c3ccccc3)c3ccccc3)(c3ccccc3)c3ccccc3)nc21 95551057 NLVAVVSZOHSAIO-UHFFFAOYSA-N 808.735 6.309 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cccc(CN4CCN(c5ccccc5)CC4)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105241 UONQFQWHDZWHMA-CCIQQOPWSA-N 548.724 5.733 50 1 KKGF O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)[C@@]4(CCC5(CCCC5)C4)[C@H]4CC[C@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 150344710 ZSJOCJIALNRXBA-KHJCJKSOSA-N 869.071 5.956 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2c(OC)ccc(OC)c12 150555819 FZOLLLQUPALWRK-QWNHMFSISA-N 989.706 9.606 50 1 KKGF CC[C@H](C)c1cc([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 299818779 AMNZUXUQHWWDLT-YMGMXPECSA-N 554.643 6.442 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H]5CC[C@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@]21C 299847156 XRRHDGKBIMJRKD-MPQBAYRRSA-N 546.384 6.503 50 1 KKGF C[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174140 NDXVGBCISISNDS-QGZVFWFLSA-N 501.246 6.750 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(N3CCCC3=O)c2)[C@@H]1c1ccc(F)cc1 587319849 DDNZXUJVHFGNNR-AOYPEHQESA-N 510.359 5.307 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587322243 LTLQPALXZKTNKV-PDDLMNHVSA-N 537.469 7.530 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 587328807 VTUOIPMCXKDNPF-IXCJQBJRSA-N 510.392 7.085 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587369653 MUIDBZRAYSPOHQ-IXCJQBJRSA-N 588.495 5.745 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)O2 587376358 XAEPQQUTISHTBZ-DEOSSOPVSA-N 544.789 5.381 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)CC2=O 587466379 NKJHQCHUXGBRTP-CRYYWNKWSA-N 503.973 6.842 50 1 KKGF C[C@H](Br)[C@]1(c2ccccc2Br)N[C@H](C)Cc2ccc(F)c(Br)c21 587671304 QKVSAZZSGVHCPG-LIBAHTEVSA-N 506.051 5.912 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 587674203 UPRPMWBSPBARSM-JCQPUDPBSA-N 558.116 7.616 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 587687003 YKLOQAXUXKOKDX-PQRODAJWSA-N 528.293 6.138 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587698079 YDVOUBRQSRPXGS-WYSPDDEISA-N 669.459 6.499 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 587720334 SJTFRZUFLBEZCM-RZFZLAGVSA-N 527.812 6.614 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(SC(F)(F)F)c2)N1 587721414 PZRWKKWUKIRDLM-BTDLBPIBSA-N 513.192 6.373 50 1 KKGF CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCCP(c4ccccc4)c4ccccc4)cc3)c3ccccc3c2=O)cc1 653850205 WQDGZVMPASVZGA-UHFFFAOYSA-N 625.753 8.191 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(F)c(OC(F)(F)F)c2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962701704 ARAVYDCCVWRQIT-QGRQJHSQSA-N 762.545 7.480 50 1 KKGF CNC(=O)c1cc([C@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cn1C 963042145 QLEDDMYGFICJPF-CYTLCNBWSA-N 620.052 5.406 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)N1 963162700 YOIFLLKAANMXFO-HPJJWIKHSA-N 695.219 8.024 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(Cl)cc(S(F)(F)(F)(F)F)c2)N1 963181349 NBTFXKAJENMYCJ-IUODEOHRSA-N 516.237 7.358 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@@]2(c3ccc(OC)cc3)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc1 963862753 GIWWKNUVEMWARZ-ZUTWQEBPSA-N 638.555 6.539 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CO 1857533765 PIWPKWRRHRILPF-NIHOMJOISA-N 537.505 5.338 50 1 KKGF COc1ccc2c(c1)[C@]1(C(=O)N2Cc2ccccc2)C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857535856 HUAADGARXCMTME-UMSFTDKQSA-N 569.573 5.093 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccccc3F)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857612262 GPBYBSSNSBNZBC-HNILCWOBSA-N 600.459 5.541 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356293961 NAUAOGFHRBTSGZ-DAECZMBMSA-N 757.975 6.389 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@H](CCNC)Cc2cccc(c2)C1 2356349782 NZLFICIELOCPBF-GMNXFSDJSA-N 742.058 5.154 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](C4)C[C@H]1CC[C@@H](SSCC[C@@H]1C)[C@@H]3[C@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2 2356357050 OMKAVNALZQESRL-VQAOBGCSSA-N 708.939 8.720 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NCCCCO)c1ccc(NC[C@@H](C)O)c(CO)c1)CC(=O)CC2 2356461808 VHABTLWTFGCFGT-CLCUOHKKSA-N 779.034 7.615 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356585758 BAFWHSPNZQRTJO-MRJGYBSQSA-N 771.143 7.455 50 1 KKGF C=C[C@]1(C)C=C2C(=O)C[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)OO[C@@H]3C[C@@H]4C(C)(C)CCC[C@]4(C)c4cc(O)c(C(C)C)cc43)[C@@H]2CC1 2356672299 DWLHCWUIQVURCE-LSYKHQFRSA-N 616.883 9.833 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)[C@H]4CCC[C@](CC)(C#C[C@@H]3C=C12)CC4 2356810605 AZFFXGQZTOGGMI-GANHGHTESA-N 874.223 6.742 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356876077 ZUXXBSHODFMEBI-RLBBHREZSA-N 908.196 7.934 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCNCC/N=C(/N)NCCCc4ccc(N(CCCl)CCCl)cc4)[C@H]3[C@@H]1CC[C@@H]2O 27302918 BRZPYXKBZKDLLJ-CXEKUSOYSA-N 714.867 7.197 50 1 KKGF O=C(SC[C@H](CN1CCCCC1)SS[C@@H](CSC(=O)N1CCCCC1)CN1CCCCC1)N1CCCCC1 28873066 VNGXRBMBGVPKDL-WMPKNSHKSA-N 603.002 6.755 50 1 KKGF COC(=O)[C@@H](CSSC[C@H](NCCC(=O)c1ccc2ccccc2c1)C(=O)OC)NCCC(=O)c1ccc2ccccc2c1 66252369 LNVLPUURHLBYCH-RNPORBBMSA-N 632.804 5.483 50 1 KKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(C[S@@](=O)c2ccccc2)=N1 82011992 QKPQQPSQHYVMAX-ITAKSPRSSA-N 557.638 6.121 50 1 KKGF CC1(C)Oc2cc(C34CC5CC(CC(C5)C3)C4)cc(O)c2[C@@H]2C[C@H](CI)CC[C@H]21 95603535 NKSISNWZZOCDKQ-MMSALSPUSA-N 506.468 6.966 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](CI)C4=C(CC[C@@H](O)C4)[C@H]3CC[C@@]21C 96341691 QJHZPCLORSPENH-ZAAKAUFWSA-N 512.560 7.804 50 1 KKGF CCCNCC[C@H]1C=C/C(=C\C[C@H](C)[C@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@@H]3OCSSC[C@H]2C2=C[CH+]N=C2)c2ccccc21 150343953 XMJXRSMOYDEDNM-UOCKVMSGSA-O 966.168 6.430 50 1 KKGF biogenic,in-vitro Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(NS(=O)(=O)C(c4ccccc4)=C3N)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(C(=O)OC(C)(C)C)c1=O 195248547 YSWZGMWIRZUEIA-JGUJXRFCSA-N 765.091 5.411 50 1 KKGF CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2ccc(C(=O)NN)cc2[nH]1 587219951 BPKUIXMXQXCECW-SANMLTNESA-N 511.626 5.573 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335240 JMIOCUKCLJBLMN-XRKRLSELSA-N 627.837 6.861 50 1 KKGF O=C1c2ccccc2[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CBr)ccc21 587538080 MZOBWPFMCQMTIK-UFHPHHKVSA-N 513.343 5.737 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587542528 HJBNWNCISRXUAH-RUMFTMGHSA-N 525.944 5.408 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 587709034 HKBNCRZJRDMHJS-QKVFXAPYSA-N 519.764 5.052 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 587737869 HXMSHRZEHCGHNO-JBEBIEQOSA-N 613.696 6.441 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587848364 IFLLDXAFWCWCJE-HEIROHQZSA-N 560.491 7.204 50 1 KKGF COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@H]1CCC[C@@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621476056 ACBVOAQDAHYRRA-WTZBKEBPSA-N 662.740 6.287 50 1 KKGF COc1ccc2c(c1OC)[C@]1([C@H]3C[C@H]4[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]5(Cl)[C@@H]3[C@@H]4[C@]1(Cl)C5(Cl)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674812 IRLXXWULYDLBHX-NKMYFKGSSA-N 716.238 7.870 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 962699465 OLVRBYHCRCRWQE-UZLBHIALSA-N 515.326 5.205 50 1 KKGF CC(C)(C)[Si](C)(C)OCC1=C[C@@]2(C(OCc3ccccc3)=C(C(=O)O)O1)c1[nH]c3ccccc3c1C[C@@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 963007130 CAYBRVKQHAHBLU-BFXRBFBZSA-N 715.275 7.617 50 1 KKGF COc1ccc2c(c1OC)[C@]1(CC(C)(C)CC3=C1[C@@H](c1cccc4ccccc14)C(C#N)=C(C)N3)N(C(=O)c1ccccc1N)CC2 963158142 MXOISYNJKMGQIJ-OMGNGIFRSA-N 624.785 7.592 50 1 KKGF CC(C)(C)OC(=O)N1CCC([C@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)CC1 963181279 OAWXDPFTOPVAKR-UTKZUKDTSA-N 555.819 5.195 50 1 KKGF Cc1c([C@@]2(CCl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2ccccn2c1C(=O)c1ccc(F)cc1 963240907 ZVSCTXAGIFVZDU-NGQVCNFZSA-N 527.983 5.247 50 1 KKGF CC(=O)N1CCc2cc([C@@]3(CCl)c4cccnc4CCN3C(=O)c3cc(C(=O)c4cccc(C(F)(F)F)c4)c[nH]3)ccc21 963587678 XEVYJHOSRGFYMX-HKBQPEDESA-N 607.032 5.749 50 1 KKGF CCCCCCCC/C=C\CCCC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(C=O)C[C@]4(O)C(=O)C(C)=C[C@H]43)[C@@H]1C2(C)C 1857548129 LMEPSOIGBOVEBF-RNROKUTRSA-N 554.768 6.194 50 1 KKGF COC(=O)c1coc([C@H](Cc2ccccc2)n2cc(C[C@@H]3C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](C(C)C)C3)nn2)n1 1857574891 SMFPZJVMLPYVPW-JGQLVRIKSA-N 566.819 6.890 50 1 KKGF N=c1[nH]ccc2c1CSSC[C@H](CO)[C@H](O)[C@H](Oc1cc([C@@H]3C=C[C@@H]4C#C[C@H](CCO)CCCC[C@H](O)[C@@H]4[C@@H](O)C3)ccc1O)C[C@H]2Cc1ccc[nH]1 2356291989 BXMLARMRNAABKI-VCVVHLTDSA-N 764.023 5.130 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@@H]2[C@@H]3C=C[C@H](C[C@@H]3[C@@H](CCCCc3oc(CCc4ccc(O)c(OC[C@H](O)c5cc6c([nH]5)[C@H]5C=C[C@@]7(CCC[C@@H]7C5)[C@@H]6CNC[C@@H](C)O)c4)cc3CO)C[C@H]2N)[C@@H]1C 2356354700 OXCRNVLSMMSYQC-YTZCWFDYSA-N 971.388 8.229 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(c5cc[nH]c5)C6)[C@H]4[C@@H]2O)O3)c1O 2356359231 GOIOYSPHJZPEHE-CLKUZNPNSA-N 948.260 9.628 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(CSSC[C@@H]7CCC[C@H](CO)[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@]7(O)C3=CC6=O)[C@]54C 2356372907 OOUPMYNYCUSDLH-YFWOJWBASA-N 904.245 6.773 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCCC4)C3)c2)N1 2356497464 OOMSMBZLGLKHGA-MSVZTDMFSA-N 865.216 8.998 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@@H](Cc1ccccc1)[C@@H](CC=CCCC1CCCCC1)C2 2356644319 BCONRCCLNCPPJW-IBXKWLDYSA-N 690.072 9.761 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)[C@](C)(C=O)[C@@H]5CC[C@@]43C)[C@H]2C1 2356650778 QTTFBBGYMYEHFO-PXNQHNNLSA-N 615.060 9.565 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356705457 OTNOHAQWJNAIKA-GQHUODMMSA-N 894.206 5.701 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@H]41 2356725389 NICUEXOVGURABD-WITBDQDBSA-N 944.318 6.251 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C6CCCC6)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356822061 FRTOYPMUODMWEO-YLYHPLRISA-N 810.135 8.930 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSS[C@H]7C=CC8=C(NCC=C8[C@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356828597 IIMNPDLDBDWFDJ-WDULXCJTSA-N 765.998 7.057 50 1 KKGF COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 6009714 CXIMSPYJZINYEJ-HDCDMHDLSA-N 581.075 5.182 50 1 KKGF COc1cccc([C@@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2cccc(OC)c2)c1 43409263 OXKQKYITRRTXSI-HEVIKAOCSA-N 650.996 5.331 50 1 KKGF COc1ccc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc1 101768388 NPJZZLQFTKWIEU-QGALSRQGSA-N 564.675 6.195 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 195292883 LTLNAIFGVAUBEJ-CODKLSGZSA-N 826.475 6.085 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CCCCCC[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 253660994 WGVWKOGGAZAROY-GJYKSJDCSA-N 618.764 6.104 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 253666772 QHBVSZZSIUMZBD-GDAQGNJDSA-N 536.753 7.268 50 1 KKGF COC(C)(C)[C@H](Br)c1nc2cc3c(cc2[nH]1)C1(OC3=O)c2ccc(OC(C)=O)cc2Oc2cc(OC(C)=O)ccc21 586971143 MVTASSRZPCRPSJ-AREMUKBSSA-N 621.440 5.843 50 1 KKGF FC(F)(F)c1cc2nc(-c3ccccc3)cc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)n2n1 587120134 SYGGSHHBNBNNLI-UHFFFAOYSA-N 584.290 8.378 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 587333396 VONFWWHHRAAISU-KNQAVFIVSA-N 529.255 6.218 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 587750802 JPFCXRMKEDLOEP-AANLHNBNSA-N 538.417 7.139 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 587846734 REMSRLHHTLCBEB-OZAJXLCCSA-N 546.849 5.577 50 1 KKGF CCCCCCCSC(=S)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCCCCCC)CC2)CC1 653714281 PYYYNPJMYUTCMQ-UHFFFAOYSA-N 671.218 8.150 50 1 KKGF CC(C)(C)c1nn(C(=O)CCCCl)c2c1[C@@]1(c3ccccc3-2)c2cccc(F)c2CCN1[C@H]1CCSC1 962711799 NDCYRNURXLGDHH-ADSBAMQRSA-N 538.132 6.615 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 963169289 FPHCIHQKEPBMSG-HYBUGGRVSA-N 599.787 6.083 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c2C)cc1OC 963200062 XNSWOVMQJQFVAZ-IDISGSTGSA-N 585.450 6.118 50 1 KKGF BrC[C@@]1(c2ccc(Br)cn2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832300 NQWREPRKRJONAK-DEOSSOPVSA-N 527.260 5.689 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OC/C=C/COC(=O)/C=C(\C#N)c5ccccc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857616072 PKHQSSIXTPIEGR-SAJLONKOSA-N 675.866 8.863 50 1 KKGF FC(F)(F)c1ccc([C@@H]2C[C@H](c3ccccc3)c3cccc(P(c4ccccc4)c4ccccc4)c3N2)cc1 1857647889 MAHVLOPXBCQRHO-JSOSNVBQSA-N 537.565 8.152 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)Nc3ccc4ncnc(Nc5ccc(Cl)c(Cl)c5)c4c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911579828 CVNGZIOHROYNEZ-QOAPALSFSA-N 671.578 7.150 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1[C@H]1C(C#N)=C(N)N(Nc2ccccc2)C2=C1C(=O)CC(C)(C)C2 1911584578 GKSYFHCKVLOQOE-SSEXGKCCSA-N 574.660 6.876 50 1 KKGF CCCCC1=C(Br)[C@]2(OC1=O)[C@H](Br)[C@@H](Br)[C@]21OC(=O)C(CCCC)=C1Br 2356754078 DFESJTKMRBQMAZ-KNCCTNLNSA-N 619.970 5.797 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@@]3(C=CC[C@H](C)C3)C2)CC12CCCC2 2356773141 RVXSNDIXXZOGLL-LZTPVDDRSA-N 713.154 10.600 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](O)C(C)(C)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356793001 KECQQVSCCHRDPW-MMPQOAINSA-N 587.636 5.989 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNC2=CC(=CCN2)[C@H]1CCCO 2356864812 VZSNTBVKXTURSO-QUKBYREGSA-N 636.880 6.425 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(CC)CC1)OO2 58492225 XFDCBCFZIFCDGE-GTPMPJAXSA-N 689.931 7.574 50 1 KKGF CNCc1cc(O)cc([C@@H](NC2CCCCC2)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 85597368 XMROVBDHQAOBCX-DFABAFTESA-N 745.020 9.315 50 1 KKGF biogenic,in-vitro Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CCC4)cc2c1 96907850 VMNAGVAWIJVVAO-SSEXGKCCSA-N 591.593 7.531 50 1 KKGF CC(=O)Oc1ccc2cc1CC1=C(C)CC[C@H](Br)[C@@]1(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](C(C)(C)Br)OC2=O 96938717 WQWJAZVSYRZZLF-DQFOBABISA-N 707.338 7.822 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CO 118932848 PIWPKWRRHRILPF-NSXGOKPNSA-N 537.505 5.338 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCCCCCN=C=S)CC[C@]4(C)[C@@H]3CC[C@@]12C 253704833 QGWGVBRWMAFYLJ-GVHSYKSMSA-N 527.903 10.076 50 1 KKGF C[C@H]1[C@H](OC(=O)CCC(=O)NCC(C)(C)CNc2c3c4ccccc4nc-3n(C)c3ccc(Cl)cc23)O[C@@H]2O[C@@]3(C)CC[C@H]4CCC[C@@H]1[C@]42OO3 473121858 HUFSUXZURNPISC-FKGNGRNUSA-N 719.279 7.324 50 1 KKGF N[C@@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587045423 IDXCFDGPPUPIMQ-VERUCKTNSA-N 649.550 5.995 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)c(Cl)c2)no1 587537072 AGDUGOUVRNWLAA-QPPBQGQZSA-N 547.188 6.606 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 587688770 OAIKRTZEOFNVEL-WHEFHEQHSA-N 501.827 5.980 50 1 KKGF CCOc1ccccc1-c1cccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587780718 ZORHPKRWYHGPNT-UHFFFAOYSA-N 519.333 8.716 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2scc(Br)c2Br)N1 587845647 RJCIUXGZUWMINQ-NZFNHWASSA-N 576.949 6.347 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl 587851057 URMQQFFVFHPHDN-DGIBIBHMSA-N 574.137 5.861 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(NC(=O)CCl)cn2)cc1 587886146 JJFOJWOWOBUWND-UHFFFAOYSA-N 502.785 5.068 50 1 KKGF COc1ccccc1/C=C/C(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)[C@H](OC(=O)/C=C/c5ccccc5OC)C[C@@H]([C@H]1C)[C@]42OO3 653771417 VCBZLQGGFWBJLJ-UOOYHOSOSA-N 620.695 5.703 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CCl)(Cc2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962571740 OITJAGPQZQFIIF-AKGWNBJDSA-N 539.031 6.019 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CCl)C(C#N)=C3N(C)c4ccccc4N3C)c(O)c2C(=O)O1 962972439 RJEYNDYFLKJAGC-YWJFQWNKSA-N 647.515 5.054 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCBr)(c1ccc(Cl)cc1)N(C(=O)c1ccccc1N)CC2 963161828 WEBSPBBEAIWCKT-MHZLTWQESA-N 543.889 6.057 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cc(Cl)cc(Cl)c2)N1 963192229 ZYGJXYSNNFTVPX-SUMWQHHRSA-N 517.556 5.903 50 1 KKGF O=C(N/N=C/c1ccc(O)cc1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 1772588812 NAGVBGIELGZTQM-MAXPZWNWSA-N 536.951 5.195 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccccc3C(F)(F)F)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857555301 XBXIMVMVHMFPTK-HUTKYGJPSA-N 650.466 6.421 50 1 KKGF CCCCCCCCCCCC1=C(O)C(=O)C2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Br)cc2)C1=O 1857771142 IUNBEIVSBUIBKW-NRFANRHFSA-N 527.459 6.396 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)N[C@@H](Cc3ccccc3)C(=O)OC)[C@H]12 2356339664 SHEQTFKRFVRGDB-IWYQJCPRSA-N 643.865 6.939 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@](C)(O)[C@H]2CCN(CCCOC)[C@H](CC)C2)O3)O1 2356363438 JVDINYXAHPHUIU-FCVFQXLESA-N 885.064 5.841 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C1(CC=C(C)CN[C@@H](C)CCOC)CCCC1 2356370982 VJTCLUVVYOVFJI-MJARXWPXSA-N 685.003 5.725 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356508181 RUGXEKJDFWNRGN-IASBXJNJSA-N 671.016 10.874 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356508183 RUGXEKJDFWNRGN-SLHNOPDMSA-N 671.016 10.874 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5[C@H](C[C@@]67CCC[C@@H]6[C@@H]5CC[C@@H]7[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356600235 FLXDJURQBXYETA-INAOEXSFSA-N 998.321 8.562 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H]1CCC[C@@H](C1)SSC[C@@H]3[C@@H](O)[C@@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 2356769468 GIEXSFCVSLNRPI-IOGXIIDSSA-N 708.939 8.864 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@@H](C)[C@H]1CCC(=O)O 2356811102 BEEZEVJKKMWNLU-UQASEVPWSA-N 592.696 5.514 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356866503 VNRNFOCGCYBIDR-FIWNVLFSSA-N 884.174 7.626 50 1 KKGF COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 6009711 CXIMSPYJZINYEJ-WWIPCURUSA-N 581.075 5.182 50 1 KKGF COc1cc2c(c(OC)c1OC)-c1c(cc(OC)c(OC)c1OC)CC(C)([C@@H](C)I)C2 49802239 JAHZIXROXGDIMP-CYBMUJFWSA-N 542.410 5.334 50 1 KKGF CNC[C@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@@H](C[C@H](O)OC2CCCCC2)C1 85596918 CGUMHYAOPAUYAJ-BBSJZZBLSA-N 811.124 7.728 50 1 KKGF biogenic,in-vitro C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(I)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cccn1 96933846 KUWCEJUHTGLKPL-HURDLCFYSA-N 596.509 6.696 50 1 KKGF Cc1ccc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 98082879 WEDPTZDXXBFBGU-UVJHPLBKSA-N 517.605 5.436 50 1 KKGF C=C(C)[C@@H](CC[C@]1(C)O[C@@H]([C@](C)(O)[C@@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)C[C@H]1O)OC 139883629 QDLARPIFFMRRKI-VKHGRQBQSA-N 617.662 5.614 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(c5cnc[cH-]5)C6)[C@H]4[C@H]2O)O3)c1O 150342818 JPYOLGSTMRUOBC-RRQZKIOSSA-N 947.252 9.414 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)NCSSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O 150348712 KXBWTEDIJHYBBQ-SFLPKVKZSA-N 797.101 6.255 50 1 KKGF biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](OC)[C@@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@@H]1[C@@H]2O 195488641 JALYFSGCWRLNPP-GVMAOZIGSA-N 617.592 5.988 50 1 KKGF N#C/C(=C\c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3nsnc23)s1)C(N)=O 299829099 YSRLKBVMWFLNCU-ZBJSNUHESA-N 555.688 7.949 50 1 KKGF CCCCCCCCCCCCOC[C@H]1O[C@H](OO)C[C@@H](OCCCCCCCCCCCC)[C@H]1OCCCCCCCCCCCC 473128422 ZNVLEAOSKUBSDH-BMGLKWEPSA-N 685.128 13.141 50 1 KKGF Fc1cccc(Cn2nnc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2Cl)c1 587162137 TWVUYTXKKBLOEZ-UHFFFAOYSA-N 532.695 7.082 50 1 KKGF C[C@]12CC[C@H]3[C@@H](C[C@@H](Br)C4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322114 LLBXOIZKCMEJKZ-NEZNFVCCSA-N 593.533 7.534 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1OC 587327306 OXBCWWAIQQITJR-BHYZAODMSA-N 564.053 6.703 50 1 KKGF O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587496361 CMXLRNGDUQAZPB-HHHXNRCGSA-N 525.388 6.213 50 1 KKGF Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc2ccc(Cl)cc12 587619730 UQXZPJQKCDMUQT-YKSBVNFPSA-N 515.812 6.821 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587672128 YDPSAYJOQDBSFK-KHWNGSORSA-N 573.344 7.246 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N1 587683354 GOYRABUILYMPBR-SXRVJJPDSA-N 545.880 6.094 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587844783 PASPNJIZHDIXRK-CWKPULSASA-N 517.848 5.110 50 1 KKGF O=c1c2ccccc2c(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1-c1cccs1 653851558 OCMKUGRJEPXHQQ-UHFFFAOYSA-N 637.765 8.267 50 1 KKGF CCOC(=O)[C@@]1(CCBr)CCC[C@@]12c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961774571 HKZVWICCHZUNQB-IZZNHLLZSA-N 521.496 5.552 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](CBr)([C@@H]1Cc3ccccc31)N2C(=O)OC(C)(C)C 962707974 LSVBMBZTVZDZTJ-SACAOSOOSA-N 530.434 5.407 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2cccc3c2OC(F)(F)C(F)(F)O3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963083261 OJBKXALAGPDFJG-BYHBGFKFSA-N 884.566 9.238 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCC[P+](c6ccccc6)(c6ccccc6)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1772589370 JOGJKFNJWJYJGV-GWKURZOLSA-O 802.113 11.805 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)[C@@H](O[C@@H]5CO[C@@H]6[C@H](O[N+](=O)[O-])CO[C@@H]65)C(C#N)=C(OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 1772623574 HJQJCFBPIJRXED-NODUDCAZSA-N 738.875 5.829 50 1 KKGF N#CC1=C(c2ccc(Cl)c(F)c2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772630931 GTGDWYSRRRBIHP-OAQYLSRUSA-N 520.832 6.455 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSSC3(CCCCC3)c3cc(O)c(OC4CCCCC4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356351180 RURIAEKJFBPVMU-IOJYBJDGSA-N 692.937 6.619 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356352416 SQNKOVTXJGTJLZ-FHCKBVSYSA-N 901.333 9.572 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC)c1O 2356353796 SSHFTLHZEMDSCW-WJOYDCGUSA-N 640.820 6.572 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356354873 BOCIZHFEPIOJPU-OUYCKWISSA-N 777.100 5.966 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@H]4C1=C1C[C@@H](CC#CO[C@H]43)CC[C@@H]51)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356407637 GUXVZIQVJOIJHX-OYWWHCQASA-N 896.277 7.584 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 2356430627 XIVXPMQGWQOMTQ-UBIKSBBCSA-N 964.260 8.021 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](C6(c7ccccc7)CCCCC6)CC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356618515 WWRBRFBOLPCQMI-XKJQPSTESA-N 991.454 12.390 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H](CO)CCCO)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 2356621061 NZSVPOHVCYIHDN-CPBHLAHYSA-N 735.965 7.737 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNC3=CC(=CCN3)C23CCCC3)CCCC1 2356819662 FDUMTQXSFXQREJ-DPKFDFQZSA-N 760.079 8.064 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4C=CN=C4C3)[nH]c(=N)c1CSS2 2356849109 PSWGZFQYXTULML-DUBUWKDKSA-N 804.951 5.916 50 1 KKGF CC[C@H](/C=C/[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@@H](O[C@H]4OC[C@@H](O)[C@H](O)[C@@H]4O)C[C@]34C=C[C@]12OO4)C(C)C 263591273 SKTNUBYPBAJOEK-VJIPHNETSA-N 574.799 5.327 50 3 KKGF COC(=O)c1[nH]c2c(O)cc3c(c2c1C(=O)OC)[C@@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 27863524 JNBKSQNMNCVASK-KRWDZBQOSA-N 640.052 5.644 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 44202139 VRSZIHWXQSNBDS-FBNDGMMSSA-N 524.948 5.975 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CCl)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)Cc1ccccc1 49942762 CFIWXWCTOFLERT-IWVUWWQKSA-N 742.479 7.101 50 1 KKGF C[C@@H]1CC[C@@H]2CC3=C4CCC[C@]5(CSSCC[C@]2(C)[C@]31CC4=O)N=C(N)NC[C@H]5Cc1ccccc1 85549515 HVRDEZJPIPGAFR-NYIIHOSVSA-N 523.812 6.169 50 1 KKGF biogenic,in-vitro CNC[C@@H]1CC[C@@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@H]1[C@H]1C=CC[C@H](C)C1 85595572 UIXMXZGIILVLCY-NHJKPYIUSA-N 822.096 5.477 50 1 KKGF biogenic,in-vitro O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(S(=O)(=O)C(F)(F)[C@@H](F)Cl)cc1Cl 103187870 RWGCABWJLPFKPY-CQSZACIVSA-N 525.666 5.134 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(C[C@@H]3O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169615535 CRSJHIRCVZDTHB-QNZUGMRXSA-N 832.066 7.556 50 1 KKGF COC(=O)[C@H]1[C@@H]2[C@](C)(C(=O)OC)[C@@H](O[Si](C)(C)C)CC[C@@]2(C(=O)OC)[C@@H]2CC[C@@H]3C[C@]12C[C@@]3(C)O[Si](C)(C)C 238742244 WKDQMFWJXLOQRE-ZWNKSYSXSA-N 582.883 5.175 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H](NC(=O)N(CCCl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c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 586923639 WUODMUPUKQFCRQ-MUUNZHRXSA-N 774.499 9.896 50 1 KKGF Cc1ccc(/C=C\S(=O)(=O)NCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586940818 GZBNDAGDLRBWCN-SREVYHEPSA-N 532.354 6.382 50 1 KKGF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586945029 BONZWGAJZUPCAE-GFCCVEGCSA-N 576.407 6.416 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)[C@H]1c1ccc(F)cc1 587323742 STQFDBQVLJNJNZ-XTEPFMGCSA-N 572.257 8.036 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(Br)ccc(Cl)c2F)[C@@H]1c1ccc(F)cc1 587336019 SDOPHNJHRFVMQU-XMSQKQJNSA-N 558.600 6.736 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 587376294 WMOFSFCVWSLCAK-DHIFEGFHSA-N 562.062 6.952 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587495931 AZGRIXXTZGPEJP-MUUNZHRXSA-N 506.385 5.850 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)cc1 587538065 MXQSKKMOPMWYGY-LEAFIULHSA-N 517.375 6.223 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)cc1 587555930 MRXWXYXQESSSOC-HIYHBLTISA-N 539.962 6.886 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566988 DBOPOGGHOFMORN-LBNVMWSVSA-N 538.358 6.267 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(CBr)cc2)N1 587674132 TUEWYUFIDOPYNQ-ZMZPIMSZSA-N 506.051 5.656 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 587683455 HEMGHUVGWKPTEU-VDBVYFBLSA-N 548.239 5.789 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1CCc1ccc(Cl)cc1 587685638 AHGKFOAQVKYXEO-MQNRADLISA-N 524.305 6.919 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)c1 587689525 TZKLNPQWZGZNJE-PWFNWSNSSA-N 577.878 5.586 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)N[C@H](C)Cc3ccc(F)c(Br)c31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587830297 DPPYXMKHCXBFEA-AWXXZPKHSA-N 981.047 7.548 50 1 KKGF Cc1c(C(=O)N/N=C/C=C/c2ccccc2)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1 653744924 DIFQZKNPKDXLMC-GTJGNHKFSA-N 509.824 7.237 50 1 KKGF Cc1cc([C@@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1cccc(Cl)c1 962948751 BCZAWOJKDWVSSN-SANMLTNESA-N 523.426 6.900 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1/C(=O)c2ccccc2[C@]12NCC1(CCOCC1)c1cc(C(F)(F)F)ccc12 962953482 IVPWKLCKCRRGIO-FVQUOCSTSA-N 547.577 5.005 50 1 KKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)c4c(ccc(F)c4F)C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c2C)cc1 963044372 VWGNTXTXUKHFRI-BYHBGFKFSA-N 683.151 8.124 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](c2ccc(OC)cc2)([C@H](C)Cl)N1C(C)=O 963300857 IJWACPSXDGUYGW-DPZGIRQNSA-N 752.242 5.369 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCCCl)(c1ccc(Br)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963804826 AYRDLZMWUXEFJP-HKBQPEDESA-N 609.948 6.868 50 1 KKGF Cc1cccc2c1[C@]1(C=C(C(C)(C)C)C(=O)[C@@H](Cl)[C@@]1(Cl)C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963832435 QDAMIRDBQSZUHD-NSLVKGEOSA-N 566.566 7.013 50 1 KKGF O=C(CBr)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21 1772633619 HXJTXNQQLJWMEZ-UHFFFAOYSA-N 601.816 5.591 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 1911570981 BEUCBDAONCDBLZ-NBVRZTHBSA-N 582.019 5.004 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC2CCCC2)c1O 2356358753 WFRHKYHNVOJSRI-INBTWYCUSA-N 664.886 8.523 50 1 KKGF CC[C@@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@@H](CSSC1)C[C@H]([C@@]1(C)C=CC[C@@H](C)C1)C2 2356376725 WFDNBKYCWFAFGP-KJFUEYMISA-N 548.902 9.904 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 2356378878 XZVMPRPAUUDNLD-NOIPBDAKSA-N 619.283 9.449 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@@H]21 2356572830 PSYSMHVCBGMCIW-NLZPVURSSA-N 566.374 7.920 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@@H]([C@](C)(O)C1CCCC1)C4 2356767848 HPWOCVSXSRYEIG-KGJGFYQPSA-N 725.835 5.537 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356812169 BSKKPMBRSLZZLZ-BVRSVSHASA-N 940.062 5.271 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](CN2C=CNC2)(SSC1)[C@@H](CCc1ccccc1)CN3 2356841741 MHEPGYSUBBQLPF-LZLVUQCASA-N 698.955 7.333 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1C1=CCN=C1 2356872904 ZBVUOAQFYWBGPG-WZNIIZDESA-N 873.083 5.517 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356874910 ZWOBEMJRBXEXFL-WNIGELOFSA-N 928.139 6.742 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc([N+](=O)[O-])cc1)SS/C(=N/c1ccc([N+](=O)[O-])cc1)OCCN1C(=O)c2ccccc2C1=O 95543282 KMPKVPDNRBOITL-LBYUQGKWSA-N 740.732 6.185 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@@H]3CCl 95550821 DEQTWOWKTWQYEE-GOTSBHOMSA-N 749.692 8.308 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(C(F)(F)F)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 96933834 SDYOOZBHKYUABL-UMALJDHNSA-N 539.598 6.505 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 150348747 MCBWGFMLOPXYQO-MDZVADFISA-N 664.935 5.275 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169356756 ORSKCTIDJPPMJJ-CLXFLBLASA-N 898.538 6.320 50 1 KKGF C=C(C)C[C@H](OC(=O)C(C)(C)CC)[C@H]1[C@@H](CC[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O2)[C@@H](C)CC[C@H]1O 169962063 AMEKTZOFUFOJDQ-PJBRJBDISA-N 552.869 7.200 50 1 KKGF CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)C(C)C)C(N)=O 195265108 YOISDXAVGVRXOR-LIGIHHMDSA-N 731.181 6.864 50 1 KKGF CCCCN(CCCC)CC[C@H](OC(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 215284812 SVFWASOJINENNQ-QDGBLBBPSA-N 806.790 12.575 50 1 KKGF C[Si](C)(C)O[C@@H]1[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 238761239 GTYAYTGQTNZBGS-WFSCRAEGSA-N 698.243 7.736 50 1 KKGF O=C(O)[C@H]1[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 587012760 YYPSOODNZCQNRR-ZIIBWEGUSA-N 587.008 7.850 50 1 KKGF COc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C 587046600 XQVJFRSKWXQEAF-UHFFFAOYSA-N 535.760 8.347 50 1 KKGF CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587055498 HXAWUSYDVNMUOG-ZBEGNZNMSA-N 653.295 9.419 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCc1ccccc1 587220978 HHUUGVKSCNFXAU-WDYNHAJCSA-N 780.614 7.864 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 587549746 RJMRNZRQVVYTJP-RXVVDRJESA-N 547.245 6.682 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587670040 HRDQHWCLDWYENZ-ZQNCRGTDSA-N 577.288 6.030 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 587672465 FYUBXVSIFKBNIX-SFNLVJQVSA-N 524.110 5.914 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587683290 GHOVUSSFHRXEMJ-VBMFUSLSSA-N 716.092 5.741 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 587687515 HBJMRCQXHUMEEY-SXBQZSJRSA-N 519.842 5.784 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587688669 MZBRZJNPEWXCCX-CQEOPILBSA-N 500.839 6.473 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 962397667 KYULQKRVQDLFKL-SSEXGKCCSA-N 574.544 6.616 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2ccccc2OC)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 963164006 SODCDYPMFXCWAF-YJBJDYJBSA-N 783.394 8.385 50 1 KKGF NS(=O)(=O)c1sc(Cl)cc1[C@]1(CBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963222213 YOMVQKSYYLOXGS-SMSORMJASA-N 794.014 5.470 50 1 KKGF COc1ccc2c(c1OC)[C@@H](c1cccc(CBr)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963779740 WVIUJUGTHDUKGZ-RUZDIDTESA-N 533.422 5.437 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356291882 BUHBBWIQTCVKFX-QBOFVGCGSA-N 673.857 5.831 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356292752 XAAJSOHTYDHHLY-RSTGRMBJSA-N 929.307 9.029 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 2356360200 ZYMGTIJCAMODMS-GOGXJVPQSA-N 682.901 8.332 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356590715 YWBSOVXZZCBOKO-NXHWUGKKSA-N 743.042 5.927 50 1 KKGF CCCCCCNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@H]3CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C3)[C@]1(C=CC[C@H](C)C1)C2 2356635145 SWBWOWATQRACIR-YIWJMDJXSA-N 729.197 11.380 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@H](C)N[C@@H](O)C2=C[C@H]1CCC2 2356637083 GQGZUQYWRNQNSJ-FFLFNBOQSA-N 717.004 5.251 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@H](CCCO)[C@@H](O)CC5CCCC5)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356728043 XHCJWFBHBSXXMI-OUYGKKDFSA-N 749.992 7.983 50 1 KKGF CCC=CCC=CCC=CCCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](OO)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCC=CCC=CCC=CCC 2356764406 FRMJXPCHGMQHNY-XXQTVGDWSA-N 791.076 8.934 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@@H](C)[C@@H]3CCC(=O)O)C(CC)=C1C 2356847192 OUQAYSAITXDWKM-JXFKEZNVSA-N 562.626 5.470 50 1 KKGF Fc1ccc(C(OC2C[C@@H]3CC[C@H](C2)N3CCCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 13470740 NDQHYTPBWHOLRM-BWMKXQIXSA-N 518.673 7.823 50 1 KKGF COc1cc2c(cc1OC)CN(CCCCCC[C@@H](Sc1ccc(C)cc1)c1ccc(OC)c(OCCCl)c1)CC2 26259761 UCPKKHBZTKCRSR-UUWRZZSWSA-N 598.249 8.481 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1)[C@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1 36176370 QMMNPJKVOZYGDW-DSOCELCXSA-N 634.777 6.162 50 1 KKGF c1ccc(CCO/C(=N\c2ccccc2)SS/C(=N/c2ccccc2)OCCc2ccccc2)cc1 40939869 RNZOYHCDTLPNHK-JWTBXLROSA-N 512.700 8.262 50 1 KKGF C=C(c1cccc(Oc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)c1)[C@H]1COC2(CCCC2)OO1 42852489 BMSMGNRTIVOHFL-WUFINQPMSA-N 506.595 6.740 50 1 KKGF COC1=Cc2c(nc3ccccc3c2N2N=C(CSc3nnc(-c4ccncc4)o3)CC2=O)[C@@H](Cl)C1 49110586 QTNTUWIRCXNRNB-IBGZPJMESA-N 518.986 5.236 50 1 KKGF CC(=O)[C@@]1(C(=O)Nc2ccccc2)[C@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] 49933020 MUEYPBLEVLUFOA-CLOONOSVSA-N 652.755 5.636 50 1 KKGF COc1cccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@@H]3c3ccccc3)c2C#N)c1 96933514 FVDRCAFBEBBQGF-UIOOFZCWSA-N 505.965 5.867 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 150348627 VQQFSRWWXVYPTN-VCJPMHKNSA-N 931.323 8.910 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COP(=O)(Oc1ccccc1)Oc1ccccc1 170069567 JNQKIRIFEQQRFM-ARNLJNQMSA-N 574.643 5.497 50 1 KKGF CCC[C@H]1OCc2c(C[P+](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)c(C[P+](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)nc(C)c2O1 210368466 JDKQZTJLALNUNG-XSMLMOGHSA-N 828.030 11.264 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 253636866 COEQIDDEZCASCC-GMCBIQCSSA-N 980.040 6.797 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2 299825477 COEQIDDEZCASCC-WPXJHGGLSA-N 980.040 6.797 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(c4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)CC[C@]3(C)CC[C@]21C 586898106 GMJPWZDCUGEUBK-OQKOFSSWSA-N 747.753 11.576 50 1 KKGF CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587199522 GOLQRMFTCNCSRK-DEOSSOPVSA-N 662.519 9.713 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(Oc3ccccc3)c2c1 587619757 UYZDVDWQVJJRMR-UHFFFAOYSA-N 532.372 5.573 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 587712998 RLPHCEKKKRXGNP-VVVCHXIZSA-N 549.122 6.799 50 1 KKGF COC(=O)c1ccc([C@@]2(C(Br)Br)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587845357 DVYYPLVNEQVCAC-RBHXEPJQSA-N 556.089 5.330 50 1 KKGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(Br)c(F)c2CBr)N1 962695993 FEERZEBPTNDMNO-GDBMZVCRSA-N 529.097 5.329 50 1 KKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]2(CCCCCCCl)c1ccc(C(F)(F)F)cc1 962720163 ZVBDKMOAVLOQSA-OFVILXPXSA-N 500.045 7.641 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962946807 JLFGMSIXRFMPJC-LPHJNLKZSA-N 841.181 6.675 50 1 KKGF COc1ccc(C)cc1[C@@]1(CBr)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045808 ZEKBATRSSNLFQK-MYVCOICNSA-N 648.500 7.181 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2ccccc2)([C@@H](Br)CC(=O)O)N1 963175020 RLMIDSVJUYWGMU-KIVZLOICSA-N 676.611 6.449 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CCCCCl)(c2ccccc2C(F)(F)F)N1 963192030 XVYKKSLOUSEKGM-AZUAARDMSA-N 514.293 6.629 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CBr)(c2ccccc2[N+](=O)[O-])N1C(=O)OCC1c2ccccc2-c2ccccc21 963237332 OECIZAQVCVPNSG-IEWVHIKDSA-N 719.457 6.016 50 1 KKGF CCN(CCn1cc(COCCOCCOCCOCCNC(=O)c2cccc([N+](=O)[O-])c2)nn1)c1ccc(/C=C/C2=CC(=C(C#N)C#N)c3ccccc3O2)cc1 1911572711 ICAXDBWDMJWNBP-NTCAYCPXSA-N 788.862 5.500 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OC)c1O 2356359396 JTGBKXDBDBFEJL-VBUSVUBUSA-N 670.846 6.106 50 1 KKGF CCCCCC[C@](C)(O)[C@H]1Cc2c(cc3c(c2OC)C(=C2CCC(=O)[C@@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356360207 AARMQUTXOOJJAW-HYLCKLAVSA-N 641.761 6.900 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356360804 OKVLXVQCRBBOQN-XPXNCGPJSA-N 997.330 9.686 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356374521 YMNSWZYNBSMAFF-QHWMNDEHSA-N 805.160 7.233 50 1 KKGF C=C(C)C(=O)CC[C@]1(C)[C@H](Br)CC[C@]2(C)C[C@](O)([C@@H]3Cc4cc(C(=O)O)ccc4O3)CC[C@@H]12 2356405665 AANFJCZWGKSABQ-MREPLPOYSA-N 519.476 5.715 50 1 KKGF C[C@H](O)[C@@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@H](CSSC1)C[C@@H]([C@@]1(C)C=CC[C@@H](C)C1)C2 2356439781 CLYXUWLNKQSFPB-CIQNESNCSA-N 564.901 8.875 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356450819 KDMQORFDIMCBAO-FKFKHHQRSA-N 842.130 6.305 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OCC=C(C)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)C(CC)=C1C 2356455680 DULFITMGTLVBII-VVPDCVCJSA-N 841.150 12.314 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@](CCO)(CC4(c5ccccc5)CCCC4)C[C@@H](O)CC[C@H]3O)C=C12 2356846901 ORRZMJKAQFCAPS-XVISTUFOSA-N 994.374 7.550 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@@H](O)[C@@H]3C[C@@H]1CC[C@H](C3)C2 2356853651 RIEAKGDHUILAGS-KUVUYRJASA-N 802.116 6.018 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356866579 WFXODNSJDFEBJV-BIJYVQJMSA-N 915.188 5.361 50 1 KKGF COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 6009713 CXIMSPYJZINYEJ-FOIRAZDFSA-N 581.075 5.182 50 1 KKGF CN(C)c1ccc([C@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873628 WXVOOACDWVNOJY-FTJBHMTQSA-N 670.420 6.187 50 1 KKGF O=C(N/N=C/c1ccc(-c2cccs2)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 29561496 YUZNBYZTUSBUSR-ANGWUCRQSA-N 535.673 5.500 50 1 KKGF CC(=O)O[C@@H]1C[C@@H]2CC3(CC[C@]2(C)[C@H]2CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(N)=O)[C@@H]21)OOC1(CCC(C)CC1)OO3 58574853 JLJNHXHICRUBQC-ASBTVNHBSA-N 575.787 6.601 50 1 KKGF CC(C)Cc1cccc([C@@H]2C=C[C@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC[C@]34N=C(N)NC[C@@H]24)c1 85549276 DUOQAXQZZWOCAC-XIKVKEEPSA-N 678.021 6.676 50 1 KKGF biogenic,in-vitro CNC[C@@H]1SSC[C@H]([C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@H]1C2 85597212 YZJNNQHPNBUBGJ-WDRUKICESA-N 724.942 6.751 50 1 KKGF biogenic,in-vitro CN(C)CCn1nc2c3c(c(NCCCCCCc4ccc(N(CCCl)CCCl)cc4)ccc31)C(=O)c1ccncc1-2 95586519 QLWPJZXQJDJPDE-UHFFFAOYSA-N 607.630 6.703 50 1 KKGF O=C(CC(=O)Nc1ccccc1Cl)NN[C@@H](c1cc(/N=N/c2ccc(Br)cc2)ccc1O)P(O)O 102939993 DPFMORBISMCQJC-PLFNIDSXSA-N 580.763 5.168 50 1 KKGF 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573.727 5.777 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)OC34CC5C[C@@H](C3)C3(OOC6(CCCCC6)O3)[C@@H](C5)C4)cccc12 102899281 CXGPKKVIHUAMBB-LDRODBFPSA-N 513.656 5.525 50 1 KKGF CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 149837402 BRHJRWOQJXUVRF-CIPTZOQDSA-N 521.625 5.527 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 150348698 XUGAPCZRFIWCDT-CHZJNASYSA-N 863.244 9.371 50 1 KKGF biogenic,in-vitro CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(C4(NC)CCCC4)c2)[C@H](O)C[C@H]1CSSC3 150349736 PHEGXNVMCZXTOC-YYNKYZRQSA-N 1010.350 10.947 50 1 KKGF biogenic,in-vitro COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(=O)[C@H](Br)[C@H](Br)c2ccc(O)c(OC)c2)ccc1O 150612543 NRTHYMDJJORAFX-GAIOMILFSA-N 677.302 5.542 50 1 KKGF 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560.389 6.061 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 587682813 DRXVLXZUFYQJFN-SHZVTRLKSA-N 513.794 5.136 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc([N+](=O)[O-])cc4)cc3F)ccnc2cc1OCCCN1CCCC1 653699223 IYXPPHBTVYMPAV-QXUDOOCXSA-N 602.623 6.103 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCCl)(c1ccc(Br)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682973 VZLJBYZPOFXZGQ-MHZLTWQESA-N 596.871 7.446 50 1 KKGF C[C@@H](Br)[C@]1(C2CCC2)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963038744 YBVUCESFDBTJAV-KZTPZZFBSA-N 596.468 7.004 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 963228741 IQAUFKRIFXXOAA-QCDSWUKFSA-N 570.443 5.305 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(C(C#N)=C1N(C)c3ccccc3N1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963804862 BEMNYBWAPVVLMK-XIFFEERXSA-N 596.087 5.208 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@H](c2c(CCl)c(C#N)c3[nH]c4ccccc4n3c2=O)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946108 BHADIQDOZQPDLE-HZYNHPAVSA-N 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CC1(CC[C@@]23C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]4CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc54)CSSC[C@@H](C2)[C@@H](O)C3)CCCC1 2356476577 LNOHMPWYOBERBA-GBBGRENJSA-N 874.182 9.347 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@@H](c2ccccc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c2c4cc(c5c2O[C@H](O)[C@@H](C5)[C@@H]2CSSC[C@H](C(C)C)NC(=N)N[C@H]2C#C[C@]32C=C[C@H]1C2)CC[C@H](O)CC(=O)CCc1ccc(O)c(OCO)c1C#CC4 2356778162 NQWBMLXLYHSYEJ-GGKKKMIFSA-N 969.280 6.002 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356804111 AAVIMOHDYBPHGP-ITVBMFGKSA-N 853.209 7.277 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1O[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 2356806246 AFSNOWARPBBBDX-LKMOQRQYSA-N 525.823 5.041 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356838783 MDDVZOZWZCKGBX-NELLASLGSA-N 888.030 5.221 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@](CCO)(CCc4ccccc4)CCCC[C@H]3O)C=C12 2356858247 SXVMOVAOPXFNDZ-SJFWNPKYSA-N 924.283 7.310 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356865536 MAYYKYZWGZLBPC-NAXCQTIJSA-N 822.131 6.282 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@@H](C)[C@H]1CCC(=O)OC 2356874642 YXOQQWLILYFIGT-XWFZLUIHSA-N 606.723 5.602 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H]1NCCC[C@@H]1SSC2 150343745 CVVMCWXOZAPTBD-MLKSTZLISA-N 934.236 11.061 50 1 KKGF biogenic,in-vitro CC(C)[C@H]1CSSC[C@H]2[C@@H](C#CC[C@@H](CCc3ccccc3)NCOc3c4cc(c5c3O[C@@H](O)[C@@H]2C5)CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCO)c2C#CC4)/N=C(\N)N1 150348352 OFKLVIGDELBADD-AKAOLBEISA-N 883.146 5.027 50 1 KKGF biogenic,in-vitro C[C@H](O)C[C@H](CCc1ccccc1)CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@H](O)C2 150349131 KJKQPTBXQJINLA-YRJQVTSPSA-N 967.287 9.572 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCNCCNc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 150523936 JUNNMHKVPTVMOI-TWKPWKJMSA-N 631.778 5.585 50 1 KKGF CNC(=O)NC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccc(Cl)cc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195433918 XMPGTVFEZMTIFB-VBHAUSMQSA-N 705.409 6.731 50 1 KKGF Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1O[C@H](C)OC2 206821564 NWHSMCPLOOMAKI-DIPNUNPCSA-N 715.814 8.633 50 1 KKGF CC[C@@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 210368520 PIKGTHQHRNGUND-QZNUWAOFSA-N 729.841 9.023 50 1 KKGF CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 253647139 PTYVCIVEJQEWFZ-XQXZCORRSA-N 879.828 5.734 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299833463 YCOIJPSIDUQDNN-JGIRWVCSSA-N 812.448 5.694 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCC(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299856188 CHVPAYZGZUZERV-NHKRGVRJSA-N 548.724 5.407 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453870 SJPAVBIXTZTDEQ-QZVPJMFISA-N 552.092 6.149 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 587619990 WONZFAADCHGLLV-PDDLMNHVSA-N 546.044 6.415 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 587677096 GLFCOSQAJWPHSH-ZAMGYDSWSA-N 570.684 5.625 50 1 KKGF CC(=O)O[C@]1([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587685432 QNTWNACIUDDQSA-XYKGGWKJSA-N 667.487 7.979 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587687729 HLSIYMDMHRAIFN-JYCPIGSLSA-N 527.821 5.525 50 1 KKGF CCOC(=O)/C(=C(/C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587689610 UWHNCMWYVZZLFS-ZHIQGJTKSA-N 539.873 5.904 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc(-c2csc(N(C(=O)CCl)c3cc(C)cc(C)c3)n2)cc1 587920935 PGVXCSIAWMQOJF-UHFFFAOYSA-N 521.469 7.392 50 1 KKGF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)N2C(=O)OC(C)(C)C 962707925 LMLKRRZCOBZNLO-FTJBHMTQSA-N 559.000 5.940 50 1 KKGF COc1cccc([C@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 963086599 BCZUOSAQOIDEQW-PUDHBBIYSA-N 618.571 7.637 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccon1 963187080 LGLAAANKHQCZBK-QPQHGXMVSA-N 598.055 6.418 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2[C@]2(CCC3)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963191257 STJIZPDJWKCEKF-KZUIRHCISA-N 655.707 6.690 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(c1cccs1)C(Br)Br 963200331 DEVVYSZJFHIJBA-UGKGYDQZSA-N 502.275 6.231 50 1 KKGF C=CCn1c(-c2ccc(Br)cc2)cs/c1=N/NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 1857557940 JABPNULSMXBYCK-UUDCSCGESA-N 586.515 6.272 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857611931 DFAMFPCYVZXRTB-MRXNPFEDSA-N 571.480 7.165 50 1 KKGF C[C@H]1CCCC=C[C@@H]2C[C@H](OC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)C[C@H]2[C@H](O)C=CC(=O)O1 1857641744 XXARTQHPXWRYFL-SITCREHQSA-N 566.566 5.820 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c1N[C@H](c1ccc(F)cc1)C[C@@H]2c1ccccc1 1857753771 ULZWHGMUZHXMGT-JSOSNVBQSA-N 503.557 7.154 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)[C@@H]3C=C[C@H](c4cccc5ccccc45)c4c3ccc(O)c4OC)CC[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356301250 RXFCAHWCRVDSRC-MKXFLEPKSA-N 942.213 9.065 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)c1cc(O)c([C@H](CCCC)CCCC[C@@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356328336 SOQDHIOFRVNKJC-RYAYFMMTSA-N 795.451 8.775 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356609557 FUOMRAZAFSYFRG-KRWHJCDASA-N 839.093 7.449 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H](C)CCSS2)cc(OC)c1O 2356677225 LAPDKKBULPKXNQ-RDRZBUDBSA-N 696.884 6.494 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](CC[C@@H]3[C@H](OC(C)=O)C[C@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@@H]13)SSC2 2356745834 ZZIQLVGNNFRAHC-QAWBZRCOSA-N 778.994 6.418 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H]7[C@H](CC[C@@H]8CCCC[C@@H]87)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356846088 OKAIWSTZLISKGE-SVARIJOTSA-N 834.117 9.711 50 1 KKGF CC(=O)Nc1ccc2oc(C(=O)Nc3ccc4[nH]c(C(=O)N5C[C@H](CCl)c6c5cc(O)c5ccccc65)cc4c3)cc2c1 29326455 SDZKFTGHHAHELU-FQEVSTJZSA-N 593.039 6.966 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCC(N4CCCCC4)CC3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145559 RRHYIINQXNVNQU-RTEAOJOVSA-N 641.941 7.683 50 1 KKGF COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 40616227 OXWDHTUXPNXTIF-YVJUSAHHSA-N 505.699 6.379 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)Nc4ccccc4)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC(C)(C)OO3 49889070 VKOUJWZHKUSCOW-QNPJKSDRSA-N 655.829 7.126 50 1 KKGF Cc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccc(Cl)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84706594 CJLCUXLBKPQFIV-DEOSSOPVSA-N 518.448 6.613 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCC2)c1O 85567803 NHWGUIGPJNQIPL-OVUOCUBBSA-N 694.912 7.885 50 1 KKGF biogenic,in-vitro CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CCCO)c4ccnc(c4)NCSSC[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 85571159 QUUPMTWVIGGSFU-CNYZNNDKSA-N 688.956 8.610 50 1 KKGF biogenic,in-vitro CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CCCO)c3ccnc(c3)NCSSC[C@H](C)C/C=C/4OC5=O)[C@@H]21 85571182 GXBUYGWJEJWZDV-RWWDYCCPSA-N 634.864 7.439 50 1 KKGF biogenic,in-vitro O=C(N/N=C\c1ccc(C(F)(F)F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(C(F)(F)F)cc2)n1 103177970 QFTHPUOHQZWTAW-PBEOLHQGSA-N 526.440 7.185 50 1 KKGF CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1(Cc2ccc(O)c3c2CCCO3)CCNCC1)[C@H]1CC[C@@H](O)[C@@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 150347266 DMDCPOYTNJXJTI-IPXRAZNISA-N 890.263 6.780 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](c2ccccc2)CC[C@H]3C/N=C(\N)N[C@]2(CCCC23CCCC3)SSCC2(CCCC[C@H](O)C1)CCCC2 150348604 PUSINBLSNZZADU-FTKHLWGDSA-N 993.434 11.756 50 1 KKGF biogenic,in-vitro C=C1C[C@H]([C@H]2C[C@@]34C=C[C@]2(OC)[C@@H]2Oc5c(O[Si](C)(C)C(C)(C)C)ccc6c5[C@@]23CCN(C)[C@@H]4C6)OC1=O 169965561 GKSKATUWAYLQMB-PNNRCKMPSA-N 535.757 5.163 50 1 KKGF CCCCCCCC/C=C\CCCCCC[C@@H]1C(=O)O[C@]2(C)O[C@@H]([C@@H]3C(C=O)=C[C@H](O)[C@H]4C(C)(C)CC[C@@H](OC(=O)/C=C/c5ccc(OC)cc5)[C@]34C)O[C@H]12 255231810 MCVAPTMLHAVOLH-SBRXTPPKSA-N 763.025 9.457 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4ccc(C)cc4)cc3O)sc2c1 299823328 FRXFSFBWRZSSLJ-MUFRIFMGSA-N 517.655 5.887 50 1 KKGF COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C)c3oc2=O)cc1OC 299833255 KIJXZDGKYBOUIS-RUZDIDTESA-N 512.562 5.237 50 1 KKGF CC(C)(C)OC(=O)NCc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C2CC2)n1 587230616 VHTKULWOYYWCIA-UHFFFAOYSA-N 569.394 7.947 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Br)C1 587321621 DSTRCZVFDVECJO-AQVRWDIJSA-N 520.395 5.470 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587323466 KJDTXXCVTWGBKL-FKLBDWCASA-N 541.962 5.944 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)sc2n1 587375829 VAFMRPLYNYJOTN-AMGIVPHBSA-N 525.001 6.209 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)ccc12 587681783 ARBAHOPTWUNIIA-ZJWNCGCPSA-N 513.794 5.136 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3CC[C@H]4[C@@H]5C[C@H]6OC(C)(C)O[C@@]6(C(=O)CCl)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 587715379 HONSAAPSFPPSQH-CZNQJDQKSA-N 669.047 6.652 50 1 KKGF COc1ccc([C@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587938633 XWXLWCURZLXZEK-IBGZPJMESA-N 519.333 8.172 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1cc(Cl)cc(I)c1 961750009 NNHVHHKRCPSPLV-DEOSSOPVSA-N 617.753 6.734 50 1 KKGF FC(F)(F)c1cnc(Cc2ccc([C@@]3(CCl)NCCc4cc(-c5ccccc5)ccc43)s2)c(Cl)c1 962662977 NDLKDGJJNDGGHJ-SANMLTNESA-N 533.446 7.701 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CCCCCCl)(c2ccc(Cl)cc2Cl)N1 962931753 XYXAAXPIRRUHSX-AHKZPQOWSA-N 534.867 7.133 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@]([C@@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963087789 BPMJJOGZVINDID-OHTDSXDOSA-N 658.091 8.377 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)c3scnc3C[C@H](C(=O)O)N5C(=O)OC(C)(C)C)[C@@H]2C1 963151592 XBXSLBGYMGZCKZ-YLPLWGNVSA-N 647.209 6.121 50 1 KKGF CC(C)(CCl)C(=O)Nc1ccc([C@@]2(C)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 963832339 OIAJUZUPVWXBEV-SSEXGKCCSA-N 502.058 6.360 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1/C(=O)c2ccccc2[C@@]12c1ccc(C)cc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963905133 WQGFARWEFXZSPA-LBGCTQKYSA-N 581.669 5.280 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5cccc(F)c5)CC[C@]4(C)[C@H]3CC[C@]12C 1772625209 CFZJTHVSYUYODG-SRCKYBTLSA-N 575.725 6.112 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(c6cc[nH]c6)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)C5)c1O 2356359842 UDCKWZOFJZUSBC-APZZFVQHSA-N 858.088 8.708 50 1 KKGF NCC[C@@H]1CC[C@H](CC=CCCC2CCCCC2)[C@@H](Cc2ccccc2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356360934 RMKOUIASISYAKQ-AMBHAMBVSA-N 621.997 10.132 50 1 KKGF C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[C@H]2[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](OC(=O)Cc3c[nH]c4ccccc34)[C@H](O[Si](C)(C)C)[C@@H]2O[Si](C)(C)C)OC[C@H]1O[Si](C)(C)C 2356597422 HBCHLHOVNYPIHS-REBGNEHLSA-N 974.724 9.918 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@H]1C)N43 2356598548 UCOQMHRCPBANSQ-DUCZIECNSA-N 533.756 5.399 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@@H]([C@]2(n3ccnc3)CCC3(CCCC3)C2)SSC1 2356811584 BPODPCJYUWYCOD-OEQAVKTMSA-N 676.949 7.089 50 1 KKGF C[C@H](CC=Cc1ccccc1CCCNC1CCCC1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356831555 JQGHHYOFBOSHOK-LOEGPXEASA-N 997.202 6.374 50 1 KKGF COc1ccc(NC(=O)CC(=O)NN[C@@H](Sc2ccccc2)c2cc(/N=N/c3ccc(Br)cc3)ccc2O)cc1 5855031 FCUNZOSZRXWDAF-DCNXOXCLSA-N 620.529 7.019 50 1 KKGF COc1cc(N2C(N)=C(C#N)[C@@H](c3ccc(OC)c4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 49680241 LAYWABDBAXNFKH-MUUNZHRXSA-N 539.632 5.815 50 1 KKGF CN(C)c1ccc(/C=N/NC(=O)Cn2c(-c3ccccc3O)cc(-c3ccccc3)c2-c2ccccc2)cc1 66098011 NFAKUGNYARGSBU-PPOKSSTKSA-N 514.629 6.411 50 1 KKGF COc1ccc(OC)c(/C=C/c2cccc3c2N(CCCCI)C=S3/C=C/c2cc(OC)ccc2OC)c1 96922728 GRHOVMJLULJZMO-WEGNKRRCSA-N 643.587 7.985 50 1 KKGF Cc1cc(C2CCC(OC(F)(F)[C@@H](F)Cl)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103203314 VFTDIBRMMZUIIK-LFCMPWLRSA-N 522.395 7.482 50 1 KKGF C=CCO/N=C(\C[C@@H]1O[C@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 169615526 WGDOECSYODBCCA-YXUVZLAMSA-N 631.807 6.436 50 1 KKGF CNC(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)NCc4ccccc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195445692 ZJDLRGPIFHMADD-ZYWWQZICSA-N 685.975 6.182 50 1 KKGF COC(=O)c1c2c(c3[nH]c4ccccc4c3c1C(=O)OC)C(=O)C1=C(C2=O)[C@@]2(Cl)[C@@H](Cl)[C@@H](Cl)[C@@]1(Cl)C2(Cl)Cl 195517831 DZSXSEOBPROUOW-HBUYNFGHSA-N 636.098 5.941 50 1 KKGF CCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24OO3 253795405 ZYVYKCLKFGRXRO-GTRBVXPMSA-N 604.737 5.714 50 1 KKGF CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586985015 DEXMGXHQCKLHHY-GDLZYMKVSA-N 517.412 6.082 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587677443 AIHFMAPJZILCOA-RTFHYFGRSA-N 551.382 7.979 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587694689 QAJNVJPRECDXOX-DIVPLYARSA-N 594.994 6.571 50 1 KKGF CCCCCCCCOc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCCCCCCCC)cc1CBr 587874615 DGDVEGWAHKNZCF-UHFFFAOYSA-N 681.583 10.272 50 1 KKGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CCCCCCl)(c2ccc(Cl)c(Cl)c2)N1 962634463 KBJMBFAYOMTXDD-FPOVZHCZSA-N 510.767 6.534 50 1 KKGF COc1ccc2c(c1OC)[C@]1(C3=C(NC(C)=C(C#N)[C@@H]3c3ccc(C)cc3)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674167 NEDMEZYNYDYNGB-SCAVLVJOSA-N 647.697 7.882 50 1 KKGF CCCCCCCCCCCCCC[C@]1(CBr)c2ccccc2C[C@@H](C(=O)O)N1C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962972268 QTQGDIXBJVZLCY-OJZYALAESA-N 705.130 8.980 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 963167271 DSLBELQFMXKNPG-CXAGYDPISA-N 551.108 6.268 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CBr)(c2cc(Cl)cc(I)c2)N1 963184747 TYSPVEFYHZHFIB-DYVFJYSZSA-N 609.007 5.854 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@@]1(c3ccccc3)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N1C(=O)c1ccccc1)CCCC2 963421565 ZPXKJZNCUXWUBY-UXCMTWRGSA-N 624.162 6.729 50 1 KKGF Cc1cccc2c1[C@]1(C=C(CO)OC3=C1OC(N)=C(C#N)[C@H]3c1ccccc1C(F)(F)F)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863046 MQZYHUQXCVZXRW-YGMGCZTJSA-N 639.627 5.472 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccc(S(F)(F)(F)(F)F)cc1Br 963903564 ASKOHGYTJPGPSF-QVKFZJNVSA-N 586.417 8.141 50 1 KKGF CC1=CC(=O)C=CC1=C(O)OCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857536411 NAANJHSIHAVNQE-UHFFFAOYSA-O 609.811 9.533 50 1 KKGF Cc1ccc([C@H]2C(C#N)=C(N)OC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)=C2[S@](=O)c2ccc(C)cc2)cc1 1857640398 GZLPRKAETMRHFU-XZCTZSJQSA-N 562.535 7.325 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc2c(cn1)CC[C@@H]1CCC[C@@]21C[C@]1(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]1O 2356291862 DSDKZMMBAILFQX-HWACGUSRSA-N 941.178 6.412 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCCO)(CSSCO4)[C@@H]85)C[C@]4(CCCC45CCCC5)C[C@@H]7NN6)[C@@H](O)[C@@H]3O)c2c1O 2356355113 BWECGMPYEBPKNN-ROXRECBSSA-N 943.191 5.708 50 1 KKGF CN[C@@H]1[C@H]2C=C[C@@H](C[C@H]([C@H](C[C@H](OC(=O)[C@]34CCCC[C@@H]3CCC(=O)N4)C3(Cc4ccc(O)c5c4CCCO5)CCNCC3)OC(C)=O)CC[C@](C)(O)CSS2)[C@H]1O 2356359498 MAPCJYKUWIMPOT-DCGYYYBKSA-N 844.150 5.138 50 1 KKGF C[C@@H]1CC=C[C@@]2(C[C@H]3CC#Cc4c(O)cc5cc4C[C@H]4C[C@@H](C[C@H]2[C@H]4C3)[C@H]2CC[C@@](C)(CSS2)NCc2ccccc2C5)C1 2356360312 CZAFIFNHLPVCMR-OJEDAZQRSA-N 623.972 9.328 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(C[C@@H]6CC[C@H](NC)[C@@H]6C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@@H]2O 2356363956 RSVRTDFORPJVEN-GPYJBBCESA-N 971.289 5.411 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5C[C@H]6CC[C@@H]7CCC[C@@]7(C6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356572269 VLTLZRTZWGDBSQ-XQBAOEGISA-N 984.427 8.355 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(CO)C[C@H]3CNC(=N)N[C@H](C)O 2356711572 FSYNRQXLVGKIHZ-CADOHUSBSA-N 941.359 5.581 50 1 KKGF CSc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 5801051 MZEOSUJBQDYSCH-NHCUHLMSSA-N 600.742 7.401 50 1 KKGF COC(=O)CCCc1c(SSc2c(CCCC(=O)OC)c3ccccc3n2C)n(C)c2ccccc12 13832605 IOJZVEHURUQVIF-UHFFFAOYSA-N 524.708 6.461 50 1 KKGF CCCCC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29241558 GRSIDFUYMUXYLY-XTEPFMGCSA-N 655.575 5.679 50 1 KKGF C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@H]5COC6(CCCCC6)OO5)cc4)cc3c2)cc1)[C@H]1COC2(CCCCC2)OO1 49898504 GESLBVFCTZEXML-XRSDMRJBSA-N 676.806 10.466 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)N(C)C)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC(C)(C)OO3 49898556 GRIBPPOJHRANAW-ZRWVYPOVSA-N 607.785 5.575 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@H]1C)OO2 64303494 AGYGRIPRUDXKSO-KLDHSSDESA-N 590.798 7.289 50 1 KKGF CNCC[C@@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSS[C@H]1C=C[C@]3(Cc4c(cc5oc(C)cc(=O)c5c4O)O[C@@]3(C)C1)OC2=O 150345655 YTNDTXNDDWUBGY-HLUBJXBSSA-O 847.012 5.457 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)C/N=C(\N)N[C@]2(CCCC23CCCC3)SSCCCCCC[C@H](O)C1 150348618 MWDAWRUNVFLIJY-WPAVLDPRSA-N 915.320 10.104 50 1 KKGF biogenic,in-vitro C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@H]12 161404894 FSMLSBUFRKSDGX-AVUAXDHISA-N 665.301 7.458 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Cc3cc4c(cc3C[C@H]3O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]3C)[C@]75OO6)COP(=O)(Oc3ccccc3)OC4)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297115 QYSDPNGFTZPSIY-PZMSWPLSSA-N 836.956 9.507 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)c3ccc(C(=O)C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297440 LOMRXMVDZARJGA-KETPTGJMSA-N 694.862 7.333 50 1 KKGF CCCCCC[C@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621810 PWBCODFOAWWVMF-FDKIHUSFSA-N 709.406 8.079 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3cccc([N+](=O)[O-])c3)c2)n1 299869543 UXWPCCYXUMMLAK-PXLXIMEGSA-N 641.088 5.880 50 1 KKGF O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587201737 BUIYHCGULMWSBI-CQSZACIVSA-N 544.296 6.425 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497988 LRZDLBVFEXDFLZ-LILWHGISSA-N 674.238 5.693 50 1 KKGF Nc1c(Br)cc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587498245 GRJBTRPKHNFKSF-HXUWFJFHSA-N 544.081 5.928 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F 587543997 DFRAYMKWPMXTDN-IIBYNOLFSA-N 515.228 5.941 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587552483 AEUGHZHTHDBWSC-HRAIYSDBSA-N 691.192 7.239 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671537 TWEBOAXTTSSWGW-YPBQGGFRSA-N 533.279 6.728 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 587721117 VTXKZAVQPBVFMX-RZFZLAGVSA-N 527.812 6.614 50 1 KKGF Clc1ccc([C@]2(CBr)NC3(CC3)Cc3ccc(Br)cc32)cc1Br 961616158 QYTXBIAVSKBLNM-SFHVURJKSA-N 520.490 6.182 50 1 KKGF C[C@@H]1CC2=C([C@@H](c3ccc4c(c3)OCO4)C(C#N)=C(N)O2)[C@]2(C1)c1ccncc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962403813 LWXUHCOIJCEUNH-PORASOQTSA-N 694.744 6.458 50 1 KKGF COc1ccc2c(c1OC)[C@@](C)(c1ccccc1NC(=O)CCCl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673485 HOKRHHFPBYQTGH-MUUNZHRXSA-N 561.000 6.252 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)C[C@@]23c2ccccc2C[C@@H](C(=O)O)N3C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 963092750 WTSHSBMGOOSGDW-YXQXOBOSSA-N 725.889 9.173 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCCC1=C2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 963142012 LLMMBODMFLHBEP-CPLYKCMESA-N 589.501 5.837 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccccc2)([C@@H](Br)Sc2ccc(Cl)cc2)N1 963227454 QBBPBFAEBPRWFI-AYRHNUGRSA-N 539.882 6.244 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H](C)CSS[C@H]7C=Cc8c(ccnc8N7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356292158 MQEJZJSSWXKNBZ-MENFPRPNSA-N 654.898 8.691 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]([C@@H]1C[C@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC2 2356357507 SDEJRMFZZXDSSI-HUBNFSNGSA-N 752.956 6.030 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]4O)[C@@]65C 2356372588 IHYWQHQHORQMJZ-XVIWZNTCSA-N 896.222 5.925 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@H](O)SSCNc2cc(ccn2)[C@@H]1CN1C(=O)C=CC1=O 2356449251 GSHYKBCSZRREPP-OFRCZQIOSA-N 701.867 5.910 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NCCCCO)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 2356461810 VHABTLWTFGCFGT-VGZKBRLLSA-N 779.034 7.615 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@]3(CC1=O)[C@H](C=C[C@@H]3c1ccccc1)CNC(=N)NCSSCCCCCC[C@H](O)C[C@@H](OC(C)=O)CC2 2356644893 WUPIXQMGSJIJLA-DHWPPYCQSA-N 724.990 6.122 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356840129 KDIJKFZFJJJLNK-WVWNRJNMSA-N 852.201 7.221 50 1 KKGF CCCCCc1cccc(C[C@@H]2C[C@@H]3[C@H](O)C[C@@H]4CCC[C@@H]4CSSC[C@@H]4CC=C5OC(=C6OC(=O)C(C)=C6OC)[C@H](C)[C@@H]5[C@@H](C2)N43)c1 2356859417 SUKKQYLTMFHHLS-XTAFWZECSA-N 694.016 8.601 50 1 KKGF CC(C)(C)N(NC(=O)c1ccc2c(c1Cl)CCCO2)C(=O)c1c(Cl)cc(C(F)(F)F)cc1Cl 29037337 AUHXQIHJCNVJCT-UHFFFAOYSA-N 523.766 6.576 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)NCCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 42808729 FNHCHJNPLAZFCL-SNLPZDPFSA-N 544.092 5.447 50 1 KKGF O=C(NNc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2F)nc2cc3c(cc12)OCO3 49771223 RXQOALNIHLPZQW-UHFFFAOYSA-N 556.425 6.202 50 1 KKGF C[C@@H](NC(=O)Cc1ccc(N[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49780021 WOEHRBWYHDNVSH-GDYJHFTBSA-N 718.188 7.353 50 1 KKGF CCCCCCCOc1c(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)sc(C(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)c1OCCCCCCC 95536782 PXRPXJDQUSIKCH-RIVOPQIESA-N 784.973 8.026 50 1 KKGF COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CCC4)cc2c1 96907830 VRGOLZGUONZAQZ-SSEXGKCCSA-N 575.575 6.490 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1cccc(Cl)c1 103950346 MWJSOOVJEIYRIC-SFHVURJKSA-N 539.829 5.613 50 1 KKGF C[C@H]1C[C@@H](c2nccs2)N(C(=O)[C@H](C[C@H](C)C(Cl)Cl)N(C)C(=O)C[C@H](C)C(Cl)Cl)C1 238779702 HDSPSTLDRVPLIV-YTFOTSKYSA-N 517.350 5.539 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/C3CCCC3)c2)n1 299869738 VIWDLIURJQYGKU-CJLVFECKSA-N 588.112 6.005 50 1 KKGF CCCN1C(=O)[C@]23CCC(C)(C)C[C@H]2[C@]12C(=O)C=C1[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]1(C)[C@]2(C)CC3 473131947 QCZWXOVRLUAVQQ-OYQMDOEGSA-N 530.753 6.581 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587009588 MPDWYLXTDUKMOL-QHCPKHFHSA-N 537.845 6.025 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(C(C)(C)NC(=O)CCl)[nH]c21 587009806 UJXYJQQYPVBHDM-UHFFFAOYSA-N 616.162 6.413 50 1 KKGF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc2s1 587034287 GXFNNOUFNWLWOI-UHFFFAOYSA-N 614.412 7.530 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cc(Cl)ccc1Cl 587688007 JLEBCRARRHKTPP-SPSFWMDKSA-N 530.696 7.319 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)ccc12 587689249 RCTKYHLIIIUUHS-UPINHGDLSA-N 527.821 5.525 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 587721421 VGPDNUGPPHLJSQ-RBHXEPJQSA-N 544.459 6.316 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@]1(C)N[C@@H](C)Cc3cc(Br)c(F)cc31)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587828927 BFKWUEXZEBOQOQ-CSVJHVKVSA-N 981.047 7.548 50 1 KKGF CCOC(=O)[C@@]1(CCCCCl)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962670619 HDNGSCMOGXZQFK-RUZDIDTESA-N 527.967 5.589 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(c1c(-c3ccc(C(C)(C)C)cc3)[nH]c3ccccc13)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673572 CWCVINBQQNCHIH-DIPNUNPCSA-N 661.164 9.349 50 1 KKGF CCS(=O)(=O)N1CCc2cc([C@]3(CCl)c4c(ccc(OC)c4OC)CCN3C(=O)c3ccc(C(F)(F)F)cc3)ccc21 962673972 LOOJTJDRRQBVQR-GDLZYMKVSA-N 623.093 5.616 50 1 KKGF O=[N+]([O-])c1cc(Br)c([C@@]2(CBr)c3ccsc3CCN2Cc2ccco2)cc1F 962705190 KKVBWTTVUMMWKD-LJQANCHMSA-N 530.213 5.848 50 1 KKGF Cc1cc([C@@]2(CCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1ccc(OC(F)(F)F)cc1 963147040 NSWVRNVPNFFJKT-CPJSRVTESA-N 586.032 6.178 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@](CBr)(c2ccc(O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963205725 XQUPPJKXQRTDRT-YZNIXAGQSA-N 574.427 5.884 50 1 KKGF CN(C)c1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1857566084 ZUKNGLGTROUSKY-GZNLZADCSA-N 641.640 5.521 50 1 KKGF O=C(OCCCOc1ccc(-c2cc(=O)c3c(O)c4c(cc3o2)OCCO4)cc1)c1ccc(N(CCCl)CCCl)cc1 1857765195 ACMDZRJLYWZITF-UHFFFAOYSA-N 614.478 5.847 50 1 KKGF O=C(OCCCOc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1)c1ccc(N(CCCl)CCCl)cc1 1857770835 WOTRCZHVRCLWEM-UHFFFAOYSA-N 588.440 5.487 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356307736 OOGNDOYDCCOFDN-MPSDFYQMSA-N 731.937 5.756 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356316857 UWFWTGBUZWMJMF-KJYTXNCISA-N 668.830 6.496 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@@]4(O)C1=CC3=O 2356355832 HONPUKPBSXXFMA-JJLIACQDSA-N 970.345 6.704 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@H]4[C@H]2O)O3)c1O 2356370820 UHANFPKXFLDAAG-VDIUBCPQSA-N 768.991 7.544 50 1 KKGF C[C@@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](O)[C@H](C)CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@@H]1O 2356499841 LHICTIBASFRESH-JHVDKOPNSA-N 688.173 10.233 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SSCN[C]7C=C(C=CN7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356580110 LHLPHYDSHHILHG-UFWJEKHVSA-N 759.071 8.226 50 1 KKGF C=C1C=C2C=C[C@]3(CC[C@@]4([C@H]3O)[C@H](CCCO)C(=C(C)C=O)CC[C@]4(C)O)C(=C2)COCC#CCC(C)=CCC1 2356597613 OGNSKUPOUFFPAD-DNOAQWIPSA-N 546.748 5.692 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H]3Cc4c5cc(c(c4O[C@H]3O)OCN[C@@H](CCc3ccccc3)CC#C[C@@H]2NC(=N)N1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC5 2356673736 OFKLVIGDELBADD-WMNZFVRCSA-N 883.146 5.236 50 1 KKGF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NN(c1ccccc1)c1ccccc1 2356732623 LJDJHYHISCPTMX-JJZPZGAKSA-N 504.715 7.289 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1ccc(NC[C@@H](C)O)c(CO)c1 2356755783 TXVGKQUMCZDKSL-AYJVEHSESA-N 746.992 7.861 50 1 KKGF CNC[C@@H]1C[C@H]2CC[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCc4c(cc(CN5C=C6N=CC=C6C5)[nH]c4=N)-c4cc(cc(N)n4)CC[C@H]4O[C@@]24C(=O)O[C@@H]13 2356834396 KMUYBPONCQKJTA-JWXIPOPWSA-N 890.101 6.394 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356851786 QJUOHHKCSHTUIE-REBGZCJMSA-N 666.006 7.825 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C[C@]2(O)[C@H](O)[C@H](Oc3cccc4c3C(=O)[C@@]3(CSSCNC5=CC1=CCN5)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]3C4=O)O[C@@H](CO)[C@H]2O 2356856511 SAGGIOTXEVVDRN-AVAYUNRUSA-N 927.151 5.363 50 1 KKGF O=C(NNc1ccc(N(CCCl)CCCl)cc1)Nc1cc(-c2ccccc2)nc2cc3c(cc12)OCO3 49757209 AFAQXJGBNOTANU-UHFFFAOYSA-N 538.435 6.063 50 1 KKGF C[C@H](NC(=O)Cc1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938036 NDVKODCCKFJFSA-AQDZNGIDSA-N 719.172 7.320 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]23[C@H](/C(=C(/C)C=O)CC[C@@]2(C)O)[C@H](CCO)CC[C@@]13O)CCC=C(C)C 85544686 BOCRHDOORLNBLG-OKOGDSBMSA-N 512.731 5.360 50 1 KKGF biogenic,in-vitro CCCCC[C@@]1([C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@H]2CCC[C@@H](C2)Oc2cc(ccc2O)C1 85597237 LWJCHJQZZVWXES-ZHODHPGHSA-N 752.008 9.114 50 1 KKGF biogenic,in-vitro NC(N)c1cc2c3cc1CSSC[C@]14CC#C[C@@]56C=C[C@](O)(CO)C[C@@]5(CCC6)CC[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 150349094 VUDULWGZVCBUMG-LHPCRULUSA-N 993.281 8.169 50 1 KKGF biogenic,in-vitro O=C(NC(=O)N(SSN(C(=O)NC(=O)c1ccccc1Cl)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 150584254 MZBZPDBJKOOQEY-UHFFFAOYSA-N 779.524 9.415 50 1 KKGF COC(=O)CNC(=O)[C@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc([N+](=O)[O-])cc1 169299392 IPQMNRLCSNSYPW-KWJLAQHSSA-N 870.050 7.120 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169361439 SBWFAIGFKMBQFX-JDBHAIOWSA-N 798.421 5.306 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299846760 UJIKLXMQKBWTMY-CLSRBLLZSA-N 561.645 8.150 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(=O)C(Cl)Cl)[C@@]2(C)COC(=O)C(Cl)Cl)[C@@H]1CCc1ccoc1 299868226 ZJEPWYZLDIPNFZ-SIGNIYTHSA-N 540.311 6.663 50 1 KKGF CCCOC(=O)CCC[C@H]1[C@H]2CCCN3CCC[C@H](CN1C(=O)c1ccc(N(CCCl)CCCl)cc1)[C@@H]23 473087990 NBVKSEHTIGSMDE-DIFDANTBSA-N 552.587 5.409 50 1 KKGF COc1ccc2cc(-c3cnnn3[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)ccc2c1 473136422 RFDXPLYHEWXEMJ-DFOKCWARSA-N 687.873 5.783 50 1 KKGF CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586939327 UOFVSYVDLQNZNH-OAHLLOKOSA-N 568.815 7.312 50 1 KKGF C[C@@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587174139 NDXVGBCISISNDS-KRWDZBQOSA-N 501.246 6.750 50 1 KKGF O=C1c2ccccc2[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CBr)cc21 587323207 QAYOGCQFWBQFPB-WNJJXGMVSA-N 529.361 6.273 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(I)c2)[C@@H]1c1ccc(F)cc1 587339508 SAKBTRHREGGYSR-IRLDBZIGSA-N 553.165 5.785 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O 587496079 RGRRQWIUFDJNHA-JGCGQSQUSA-N 566.163 7.669 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 587709524 AWALDTQHJQCWHQ-VVVCHXIZSA-N 515.570 6.433 50 1 KKGF CCCCCCCCOc1cc(CBr)c(OC)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587875583 YCWGBFLCUUSJFR-UHFFFAOYSA-N 583.394 7.541 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](c1c[nH]c3ccccc13)([C@@H](C)Cl)N2C(=O)OC(C)(C)C 962707829 KYVRCDPPSPMXKU-JOLLRLPSSA-N 513.009 5.829 50 1 KKGF Cc1cc([C@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1Br 963045391 ZKWFQCBUELAIEV-FOYYQAIFSA-N 732.021 8.878 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cc3ccccc3o1)N(C(=O)c1ccccc1N)CC2 963147479 QOUUJSQZCJXRFA-HHHXNRCGSA-N 521.411 5.369 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1-c1ccccc1Br 963187523 VELUMJNYXADTFX-JPYJTQIMSA-N 576.240 6.610 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 2356299370 AXVWGNVFNUIIHZ-WSAJFJLTSA-N 976.317 12.231 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356358196 YDBLSULQZKAMOV-KNIWGAKSSA-N 803.094 5.264 50 1 KKGF CN[C@H](O[C@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 2356365621 OYJATYINNSCKGZ-KGTVSZMUSA-N 649.831 6.864 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356440694 LVZOVWPTMQMEMN-ZYSBVEFBSA-N 815.071 6.224 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@]14C=C[C@H]5c6c(ccc(c61)[C@H](N)NC4)[C@H](O)C#C[C@@H]([C@@H](O3)n1cc3[nH]cc5c3c1)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@@H]1O 2356582832 YKQLYNPTLYSHIR-JLHMYBRRSA-N 955.256 8.860 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356590714 YWBSOVXZZCBOKO-HJKASLFHSA-N 743.042 5.927 50 1 KKGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@]5(CSSCC[C@@]2(C)[C@]31CC4=O)NC(=N)NC[C@@H]5Cc1ccccc1 2356673347 HVRDEZJPIPGAFR-QSHUYDJDSA-N 523.812 6.379 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@@H]4C=C[C@@]12C[C@H]4C3 2356734995 OVGTVCQCGNQTPW-BCNRQITOSA-N 748.199 12.633 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)C 2356737774 CNPTXJXEBUDWNW-XDBGXPIRSA-N 599.897 6.509 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4([C@H](C)Cc5ccccc5)CCC[C@@H](CC4)[C@H]3O)C=C12 2356810158 AWXFLAXBQFPQKU-HZMRFYILSA-N 920.295 8.194 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@@H](C6CCCCC6)CSSCNC6=CC(=CCN6)CC3=C4C(=O)O5)[C@H]21 2356825461 HSLLZIKPJWDFAK-NTUASPNBSA-N 646.919 7.987 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356855354 RCMGBONMARBAHD-XIOYLIOMSA-N 881.263 8.058 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC/C=C(\O)C=O 95486098 LUNIXWYODXOZGF-WZGDRKDQSA-N 745.359 18.982 50 1 KKGF biogenic,in-vitro CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@H]2[C@@H]2C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]2(C)CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 95535867 JGBUMXBVCHFDTQ-ZMSYLHJISA-N 821.961 5.832 50 1 KKGF CC1=C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 95562769 GPIVHKSBJVTPCM-UHFFFAOYSA-N 533.628 6.911 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\NC(=S)NC4CCCCC4)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 118921305 SDCCQWNRCAMEHH-RLOQHREMSA-N 576.379 9.478 50 1 KKGF COCCCCNCc1c(O)c2c(c3c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c54)O[C@H]3[C@H]6COC(C)=O)C1)C=C[C@@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O2)C3 150343145 VFJVLGQMUGWRNU-JJGQWGCLSA-N 1015.310 8.798 50 1 KKGF biogenic,in-vitro CCCCCCCCC[C@H](OS(=O)(=O)O)[C@H](Cl)CCCCCCCCCCCCCOS(=O)(=O)O 169621822 XKTFVUFBGYNAMG-RPWUZVMVSA-N 565.235 7.423 50 1 KKGF CC(C)(/C=C/C[C@@H](C(=O)O)[C@@H]1[C@@H](O)C[C@]2(C)C3=CC(=O)[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C)OO 255255959 ORHJTDMTWRWOIU-GEYBAYPWSA-N 518.691 5.018 50 1 KKGF CC(C)[C@H](Br)C(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@@H]5C=NN(C(=O)[C@H](Br)C(C)C)C5)CC[C@]4(C)CC[C@]23C)C1(C)C 299856194 IONHQRMQXLCCTE-LTQLOTLMSA-N 780.771 10.283 50 1 KKGF COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1OC 587189922 GKHVNAUGOILAAP-YKCVJAFJSA-N 621.819 6.612 50 1 KKGF O=C(Cl)CCOCC(COCCC(=O)Cl)(COCCC(=O)Cl)COCCC(=O)c1coc2ccc(Cl)cc12 587277018 ZMRPQXYSTLCNMS-UHFFFAOYSA-N 614.302 5.178 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 587323551 RSIPYUJCLTWGBW-XTEPFMGCSA-N 509.415 7.228 50 1 KKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587687039 YNGPCRVJIDQJEC-KLNWILNISA-N 516.882 7.177 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@@H](C)Cc2ccc(F)c(Br)c21 587858722 SYEKIZHONKEDBE-QZXCRCNTSA-N 577.947 6.541 50 1 KKGF CSc1cccc(-n2c(C)cc(-c3csc(/C(C#N)=C/c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)n3)c2C)c1 587924255 OSIJLUCAXGUMFY-OEAKJJBVSA-N 555.813 9.304 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N32)cc1 962667661 NWBCMLWZPSGHFS-NAYUSWPISA-N 557.488 5.840 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C(=O)c1ccccc1N)CC2 963150636 WHMQUPAXSQDCTI-XIFFEERXSA-N 609.605 6.924 50 1 KKGF C[C@]12CC[C@@H]3[C@]4(C=C[C@]5(C[C@@H](O)CC[C@]35C)OO4)[C@@H]1CC/C2=N\OCC(=O)Nc1ccc(F)c(Cl)c1 1772597489 OITNATJFNRNBIL-WHTUWQEISA-N 519.013 5.177 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356292706 VIDPGJPDNJGQAX-VCOGUPCKSA-N 877.231 7.780 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@H]3C 2356372184 ZQGOYEJYAYJFTL-SCZKXRCSSA-N 885.203 13.143 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356448848 RIIDLMUGVQJJLJ-HUNJRYGUSA-N 725.027 6.099 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)cc(Cc2cccc(O)c2)c1O 2356768625 PNUSVXASWCPECT-FVOQJWENSA-N 790.956 9.078 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](Cc3ccccc3)C(=O)O)c2)cc1 27843392 SLMQCHQWMSSKIZ-JHFJJOSTSA-N 623.775 6.948 50 1 KKGF O=[P@](O)(OCCCCCCCCCCCBr)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F 42923066 HUSSTODQNFUJGY-UHFFFAOYSA-N 619.448 5.783 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@@H]4[C@H]2O)O3)cc(OC)c1O 85567718 JLBJMKHHDLHGGX-UOYDTFCISA-N 696.884 6.422 50 1 KKGF biogenic,in-vitro COc1cc(/C=N/NC(=O)C[C@@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc(OC)c1OC 98082865 OXLDFCGTWJAVBF-HAIPZDPNSA-N 593.656 5.154 50 1 KKGF O=C1N(Cc2cccc(CO)c2)[C@H](Cc2ccccc2)[C@H](O)[C@H]([C@H](Br)Cc2ccccc2)N1Cc1cccc(CO)c1 98083409 YZNMWSWYDOVEJX-WZJLIZBTSA-N 629.595 5.456 50 1 KKGF CCOC(=O)[C@]1(C(F)(F)P(=O)(OCC)OCC)C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1CCC2 103950837 JLUMAMDVDJLNTJ-JOCHJYFZSA-N 529.908 5.700 50 1 KKGF CNC[C@@H]1CC[C@]23O[C@@H]2CCc2cc(N)nc(c2)-c2cc(C[N+]4=CC5=CC=NC5=C4)nc(N)c2CSSCC[C@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@H](C1)[C@H]2OC3=O 150345616 FPRXORMVWDGXIU-UENZPLDUSA-O 863.055 6.099 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[Si](C)(C)C(C)(C)C)[C@@]12OS(=O)(=O)C=C2N 195016775 PHESCLMCWLBGMY-VUMQFKOGSA-N 571.885 5.239 50 1 KKGF C[C@@H]1O[C@H](OP(=O)(OCc2ccccc2)OCc2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1I 195479940 DJBHCAQXADHLMR-PDWXGJNSSA-N 742.499 7.544 50 1 KKGF COC(=O)COC(=O)[C@]12CC[C@@H]([C@](C)(Br)CBr)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299810465 YMRHYZZIAWGDEK-JGGRODSCSA-N 765.462 8.275 50 1 KKGF C=C(CO)C(=O)O[C@@H]1[C@@H](OC(=O)/C(=C\CC/C(=C/CC/C(C)=C\OC(C)=O)COC(C)=O)CCC(=C)C(C)C)/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 523041617 BPCGMFPONKVIER-BADAPYEISA-N 764.909 6.757 50 1 KKGF biogenic CC[C@@H](C)NS(=O)(=O)c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586938942 LVKKCKKNNFRHDC-SNVBAGLBSA-N 534.370 6.727 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329807 FNVGAZNFAKVWLB-PMVWQMGCSA-N 639.135 6.216 50 1 KKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(OC(F)F)c(Cl)c4)c1C)[C@@H](C2)C3=O 587423901 WDGWUUXLYFGKNL-AVRWGWEMSA-N 508.348 6.239 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](Cc1ccc(F)cc1)NC(=O)OCc1ccccc1)CC2=O 587465111 ALZJPUFHXIMTGJ-WNJJXGMVSA-N 526.004 5.964 50 1 KKGF CC(C)CCC[C@H](C)CCOc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@H](C)CCCC(C)C)cc1CBr 587875644 YTIAEDYGOQRBFN-JSOSNVBQSA-N 737.691 11.256 50 1 KKGF N#CC1=COc2ccc(Cl)cc2[C@]12c1ncccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962406297 RLQMPIUMLSAADG-YDYNHKSESA-N 576.008 6.039 50 1 KKGF Cc1cccc(Br)c1[C@@]1(CBr)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962647997 VZCJBHFFCFBRMK-DHIUTWEWSA-N 518.249 5.043 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962719014 VCVHAJZQIFZFPD-OYKDXHIPSA-N 599.237 7.244 50 1 KKGF O=C(Nc1ccc2[nH]c3ccccc3c(=O)c2c1)[C@@H]1Cc2ccccc2[C@]2(CCCC[C@@H]2CNCCBr)N1 963020925 ODSKGUIDXDGYCU-GOPYVNMYSA-N 573.535 5.204 50 1 KKGF COc1ccc([C@]2(CCCCCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963042309 RJGQTIWLIJIUQW-YYFXGUOYSA-N 632.103 7.887 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@]23c2cc(Br)ccc2OCC[C@H]3Br)c1 963584041 SAQCSDOTCYOTEK-GGXMVOPNSA-N 689.326 6.910 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857612305 MEIHCCVCKJYHRZ-MRXNPFEDSA-N 529.427 5.406 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1cccc(Cl)c1)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1857614469 WQQGSUJPSAKMPS-WDWOYUQWSA-N 626.069 6.247 50 1 KKGF COc1ccc(C(=O)/C=C/c2cc3c(c(C(C)(C)C)c2)OC(N)=C(C#N)[C@@H]3c2c(C)[nH]c3ccc(Cl)cc23)cc1 1857633902 HKMUZCDMNNFJMU-ASEUVAKXSA-N 552.074 7.550 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]4[C@H](C)C(CCl)=C[C@H](O)[C@]4(C)CC[C@]23C)C1(C)C 2356466907 WLMOBFMSWMCZEY-XTZTXQGISA-N 519.210 7.785 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@@H]1CC[C@H]1SSC[C@@]3(NC(=N)NCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C[C@@H]12 2356519932 SRNRVCAGKPCSRQ-WDDNFMPVSA-N 823.047 6.171 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](OCNC1CCCCC1)CC(=O)CC2 2356584770 RLIQSQSUXRIOGJ-VSGBNLITSA-N 625.853 7.120 50 1 KKGF CCCCCCCCC=CCCCCCC[C@@H]1C(=O)O[C@]2(C)O[C@H]([C@@H]3C(C=O)=C[C@H](O)[C@@H]4C(C)(C)CC[C@H](OC(=O)C=Cc5ccc(OC)cc5)[C@@]34C)O[C@H]12 2356589639 MCVAPTMLHAVOLH-BBMGEJRPSA-N 763.025 9.457 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H]1[C@@H](CCCO)C=C[C@H](C4=O)[C@@]512)CCNC(=N)N3 2356625681 VVTJDKSPCDTYSM-LDOIDAJUSA-N 515.789 5.075 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@]23CC4(CCCC4)C[C@@H]2C=CC2=CNCN23)SSC1 2356806235 AFSKUKXMASAGAJ-OAFDWORPSA-N 700.971 7.736 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356824623 GWOIVIGPYVEMQA-PMPOPCGWSA-N 953.237 6.060 50 1 KKGF C/C(=N\NC(=O)c1sc(C(=O)N/N=C(\C)c2cccs2)c(OCc2ccccc2)c1OCc1ccccc1)c1cccs1 49679402 UWBNHYTZLMLXFI-WXGDAXOSSA-N 628.801 7.337 50 1 KKGF Cc1cc(OCc2c(-c3c(Cl)cncc3Cl)noc2[C@@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622147 FKTOPZIAKAZWDV-OAHLLOKOSA-N 570.860 8.088 50 1 KKGF CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O 85768365 CSWYLIDLQDJVCQ-SRBONPMISA-N 568.795 8.133 50 1 KKGF in-man C#CCCCC(=O)NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl 95872933 ITAKJWQFIKDXAW-MGBGTMOVSA-N 688.674 5.405 50 1 KKGF CC(C)Oc1ccc2c(=O)cc([C@@H](C)Br)oc2c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i](C)(C)O[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1 170069478 QTTFTVPTSUAFOG-QPWMFTQFSA-N 583.805 5.796 50 1 KKGF COC(=O)CCCC#C[C@H](Br)[C@@H](O)CCCC/C=C(Br)/C=C\Br 198356457 AYDCADNHQBXBAP-CMOBNENNSA-N 515.080 5.205 50 1 KKGF CC(=O)O[C@H]1CC(C)(C)[C@]2(C#C/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O)O[C@]2(C)C1 255259804 PRMVHLYTIYMENC-JLAMMARYSA-N 654.888 7.915 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299818611 YCOIJPSIDUQDNN-DIOCTGSYSA-N 812.448 5.694 50 1 KKGF CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](OC(C)=O)[C@H]1C 299826027 PTYVCIVEJQEWFZ-UUTDPVOISA-N 879.828 5.734 50 1 KKGF C/C(=C(\CCOC(=O)[C@H](C)c1ccc(CC(C)C)cc1)SSCc1ccccc1)N(C=O)CC(=O)OC[C@H](OC(=O)[C@H](C)c1ccc(CC(C)C)cc1)[C@@H]1OC(=O)C(O)=C1O 299855354 DRBSSRQDAHYRIF-ZJIJQZDDSA-N 876.103 8.904 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3c(Br)ccc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057914 XWTWIMWUGYXWHZ-ZROIWOOFSA-N 565.096 7.866 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190703 NCOKYKLKEPOFJW-IROVJIRSSA-N 614.202 7.387 50 1 KKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(NC(=O)c4sc5ccccc5c4Cl)c1C)[C@@H](C2)C3=O 587454489 XDYZEGLSJLKEAF-PPHZAIPVSA-N 541.456 6.247 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CCCCCl)(c2ccc(Cl)c(Cl)c2)N1 962922716 DZGSWVMYRKLNGS-AHWVRZQESA-N 520.840 6.743 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cn([C@@H]4O[C@H](COCc5ccccc5)[C@H](OCc5ccccc5)[C@@H]4OCc4ccccc4)nn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772602405 CIGVKNDUUCKHMS-OVIFBYGRSA-N 764.920 6.757 50 1 KKGF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)N/N=C/c1cc(Br)c(O)c(Br)c1 1772616093 SCQRMAWGDVQGPB-OOEWDAAOSA-N 638.679 6.561 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCN(Cc3ccc(Cl)cc3)CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857544953 NDPJZTKNJVTZBO-PPZQIWMTSA-N 726.399 6.565 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356294209 AQRCUZINRQQULQ-LZXVGVFPSA-N 645.803 5.195 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)c(O)c(OC)c1O 2356349732 MWUBNNGZDVAADV-VQMCRUIOSA-N 650.815 7.224 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@H]2NC(=N)NC 2356373310 XRHXBDQIJMPJQH-AOTUJILKSA-N 717.103 5.989 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356381896 FIQCFVPZIFWCEA-ZUJXNOHYSA-N 955.345 9.430 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@@H](O)C2CCCCC2)CC[C@H]1CCN 2356401603 KDFFTWWWHDDJTR-RABNWKFVSA-N 728.074 7.173 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(=O)C=Cc1ccc(O)c(OC)c1 2356478420 DAYLLWATGDUOQQ-UHFFFAOYSA-N 628.979 12.427 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCN[C]2C=C(C=CN2)[C@@H]1CCCO 2356816849 ZQMICJAJYDRMBB-GKZDSONJSA-N 635.872 6.587 50 1 KKGF C[C@H](NC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OCc1cccc(NC(=O)CCl)c1)c1ccccc1 27519039 MBLYTRTVVBPGLQ-WENCNXQZSA-N 547.055 5.450 50 1 KKGF C[C@]12C[C@H](c3ccc(OCCCCCI)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 27706187 ABDODQBQMMBTCS-XYDZEHMXSA-N 560.516 6.987 50 1 KKGF CCCCCCCOc1c(C(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)sc(C(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3CC)c1OCCCCCCC 95536735 GAPJKPJXKQJRJD-LSGBLIDPSA-N 839.119 12.230 50 1 KKGF Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@@H]1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2 169310631 KSTOYLWWQRLKKR-QHCPKHFHSA-N 519.436 5.823 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169358557 LTLNAIFGVAUBEJ-WAPXKJNQSA-N 826.475 6.085 50 1 KKGF CCC1(CC)CNC(=O)[C@@H](Cc2ccc(OC)c(Cl)c2)NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c2ccccc2)OC(=O)[C@H](CC(C)C)OC1=O 169372015 QSTLBDGXZMQUDS-URWGBKSYSA-N 733.730 6.105 50 1 KKGF CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 195478424 SWWCJTUVSXJESY-QMOZSOIISA-N 613.874 5.956 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 254058015 YQHVZAWAASWABR-ZPZHTWQZSA-N 537.505 5.338 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299810337 SMTKDYGXTCYGPV-HGTUCOTASA-N 957.332 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CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@@H]4C[C@@H]5C=C[C@@H](C4)[C@@](CC)(C#C[C@@H]3C=C12)C5 2356848450 PEVSTNDDAMBYLI-UHENQEIZSA-N 854.192 6.747 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356868064 WXZABYWWYMMZDW-NKDADSBCSA-N 744.980 5.525 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)CSSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356869261 XKEQBVLPYYNKFM-REUPSFKGSA-N 868.175 8.307 50 1 KKGF c1ccc2c(c1)CCN2CCCCCCNCCSSCCNCCCCCCN1CCc2ccccc21 28220355 DOHITCLHZJPECR-UHFFFAOYSA-N 554.914 6.793 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C)O[C@H]2CC[C@]2(C)[C@@H](Br)CCC(=C)[C@H]2Cc2cc(ccc2O)C(=O)O1 49034258 HNTZDLDNNWJOBB-TYMIXRCRSA-N 503.477 6.504 50 1 KKGF COc1ccc(/C=N/NC(=O)c2cnc3c(C(F)(F)F)cccc3c2N[C@@H](CSc2ccccc2)CC(=O)N(C)C)cc1 49745871 RIBDVPAMXMZKDI-SMUBEWFASA-N 609.674 6.077 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@H](Cc1cccc(CO)c1)[C@H](C/C=C\CCC1CCCCC1)C2 85505486 ZSBZNYFSKQSOBD-CSHQGWQNSA-N 720.098 9.253 50 1 KKGF biogenic,in-vitro CC1=C(CC[C@H]2[C@]3(C)CC[C@H](O)C(C)(C)O[C@H]3CC[C@@]2(C)O)[C@](C)(C/C=C/C(C)(C)OO)[C@H](O)CC1 96903560 KKUBOUCKYPCBMT-CDMQMTAESA-N 508.740 5.944 50 1 KKGF CCc1cc2c(nc1N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@@H]2CCC[C@H](CSSC[C@@H]1O3)C2 150343200 MZHWXVPSWNGRSE-WNNKSLGVSA-N 912.187 9.524 50 1 KKGF biogenic,in-vitro CCCCCC[C@H](Cl)C[C@@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621818 OWZXJAFOLNMCCO-PLACYPQZSA-N 674.961 7.861 50 1 KKGF C=C1C(=O)O[C@H]2CC(C)=CCC[C@@]3(C)O[C@](C)(CC[C@@H]3I)[C@@H](I)C[C@@H]12 299815110 ABJVPMGWAANYLW-LXJANLPBSA-N 570.249 5.540 50 1 KKGF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)C(=O)OC2 586916142 VXKCNAHCJWDCGK-UUILKARUSA-N 518.504 7.035 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)CC(c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1P(c1ccccc1)c1ccccc1)O2 587407387 HZAIULYGRWGMSQ-UHFFFAOYSA-N 697.755 8.003 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1C(F)(F)F 587551186 YFLOOROKFGOONG-RXVVDRJESA-N 558.144 6.426 50 1 KKGF Cc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccc(Cl)cc12 587619729 UQXZPJQKCDMUQT-RDPSFJRHSA-N 515.812 6.821 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1 587673929 RRNBJKQVPGYEMH-FYSMJZIKSA-N 519.252 6.340 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(Br)c2Cl)N1 587723109 VGFZHBVCGJRBRU-QPFGOUBPSA-N 544.459 6.316 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(I)cc2)N1 587736784 BVAGTCSJOIIWNJ-QGHHPUGFSA-N 539.024 5.366 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1ccc2ccccc2c1 961744584 AAXAMQQRTJPBGP-NDEPHWFRSA-N 507.472 6.630 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(C=C(CO[Si](C)(C)C(C)(C)C)OC(C(=O)O)=C1OCc1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671528 DSJMAASDIKFCSJ-DIPNUNPCSA-N 725.833 8.065 50 1 KKGF Cc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(C)cc3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962721224 WOSUBFSQFIGTSZ-ISLLKUBVSA-N 792.721 8.310 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)[C@H](Br)C1 962949799 COTYGXBVOFGCMZ-OMXJDXKCSA-N 533.429 5.393 50 1 KKGF Cc1cccc(-n2cc([C@]3(CCl)N[C@H](C(=O)Nc4ccc5[nH]c6ccccc6c(=O)c5c4)Cc4ccccc43)nn2)c1 963005814 ADIVJVOCIAGBSY-RYCFQHDISA-N 575.072 5.206 50 1 KKGF C[C@@H](Br)[C@@]1(c2ccc(F)cc2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963090765 IFCPOIBSHUBGNI-OUJNJVGLSA-N 620.562 8.156 50 1 KKGF C[C@]12CC[C@@H]3[C@]4(C=C[C@]5(C[C@@H](O)CC[C@]35C)OO4)[C@@H]1CC/C2=N\OCC(=O)Nc1cccc(C(F)(F)F)c1 1772657823 JWLLQCNLXBPAHG-TZGKFOTHSA-N 534.575 5.403 50 1 KKGF COc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857577604 VJIABWMHIWNXDK-GFMHJGOASA-N 661.758 7.988 50 1 KKGF CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356364041 OVXWWXYOSUNMBZ-PHYMYAKMSA-N 804.091 9.206 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C6=C7CCCC[C@@H]7C7=C8[C@H](CCC7)C[C@H]5[C@H](O)[C@H]86)[C@]4(O)C3=CC(=O)[C@H]12 2356371589 MGKMCZWRZSCJDL-IBNMHVFGSA-N 832.230 7.706 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NC1CCCCC1)c1cccc(CO)c1)CC(=O)CC2 2356373985 LOAFKNPDUCEWBR-GVICWXJLSA-N 715.978 9.382 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H](C)CSSCNc3cc(ccn3)C23CCCC3)CCCC1 2356468902 UVXPFUPSHUDVFI-LDNXODBLSA-N 684.968 9.565 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C)O[C@@H]2CC[C@@]2(C)[C@@H](Cc3cc(ccc3O)C(=O)O1)C(=C)CC[C@H]2Br 2356581012 HNTZDLDNNWJOBB-DPOPRSRGSA-N 503.477 6.504 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356630227 HFEAIECGYWDNDL-OVVFZNQESA-N 927.277 6.596 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)CCC(C)C)c(=O)oc3cc1O2 2356812462 BJQKNAAJFOEWDA-QSCRBGQCSA-N 877.183 5.941 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356815617 CTSKRUZQJMPNLL-BHOOYJMPSA-N 834.117 8.617 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356824277 GUFDWIHRICBYMW-LUWYUZSYSA-N 797.101 5.827 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cnc3ccccc3n2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 43641078 CKPJCFKFLBFNMI-GDAINMJMSA-N 625.549 5.790 50 1 KKGF CC(C)C[C@H](NC(=O)c1ccc(CO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 95548074 RVOWQUHYZHRRLT-LZZRLRFZSA-N 815.042 7.661 50 1 KKGF CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OC[C@@H](O)CO)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 95548875 XQJSZVUSRXKMGJ-PQQNNWGCSA-N 784.840 8.970 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1cccs1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 102986248 OWSVDHWIBGVHED-TUXAPRDJSA-N 511.459 6.641 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)CCCC3(CCCC3)C1)CC[C@@H](O)CC(=O)CC2 150348355 ALRMSWXQPBEGOC-OYOFPUPQSA-N 885.206 6.578 50 1 KKGF biogenic,in-vitro CCCCCCCOc1c(C(=O)N/N=C/[C@@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCCCCCC 169300220 NIPQZZZUZUCLPI-VYEXJMJNSA-N 789.193 11.337 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC[C@H](Cl)COS(=O)(=O)O 169621826 WAZWQAUPFQVNCE-ZIKOEFHUSA-N 703.015 8.292 50 1 KKGF COC(C[C@]1(/C=C/O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N(COCC[Si](C)(C)C)c2ccccc21)OC 195515619 SYNCAQZFBVDRAD-QSOMJGHASA-N 549.901 7.298 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299810373 UXZCKFPBCBHVFY-NWCGFZOFSA-N 897.148 7.237 50 1 KKGF S=C(Nc1ccccc1SSc1ccccc1NC(=S)NC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 473152924 XIKMFMQXUPARAQ-UHFFFAOYSA-N 635.006 8.996 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@@H](Br)[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 587285639 IWNCUMKLVLQAGC-RHEPNHJGSA-N 753.683 5.404 50 1 KKGF O=C1c2ccc(O)cc2OC2([C@@H](Br)CCCCC[C@@H]2Br)[C@H]1c1ccc(F)cc1 587321104 IGCCCBMCVDZKFK-UFYCRDLUSA-N 512.213 6.120 50 1 KKGF COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1OC(F)F 587332346 SBRNRJDXSMPURE-URXFXBBRSA-N 523.301 5.791 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537402 DXXWHFGXMPSFCT-GREBRCKQSA-N 548.183 5.250 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 587709032 HKBNCRZJRDMHJS-GTJPDFRWSA-N 519.764 5.052 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 587715429 BVMGAANPBUIABJ-ZAMGYDSWSA-N 545.802 6.911 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 587840910 OFYBPVWKFHPTPA-IVZQSRNASA-N 511.844 5.033 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@H]1c1cc(S(F)(F)(F)(F)F)ccc1F 962041842 FWSJRXGVJBNPNQ-CCDWMCETSA-N 601.569 5.264 50 1 KKGF COc1ccc2c(c1OC)[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)N(C)[C@H](C)C2 962573256 NDDZTZVSLXQTKJ-HNDADQJNSA-N 519.032 6.460 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CBr)c1ccc(O)cc1O 962998223 TVJZTBFIYPLBOA-MHZLTWQESA-N 574.855 5.065 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963198400 UTBYTCCNTQKXOV-RDGOROTDSA-N 587.646 7.782 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C)([C@@H](Br)[C@@H](Br)c2ccc(Cl)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963354669 XVCLAJMTVUVDJT-XMZZPRPSSA-N 739.888 8.509 50 1 KKGF COc1ccc2c(c1OC)[C@]1(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963816662 GSIPFBRCOAVESI-HUESYALOSA-N 849.634 6.774 50 1 KKGF O=C(N/N=C/c1ccc(Oc2nc(Oc3ccc(/C=N/NC(=O)c4ccccc4O)cc3)nc(Oc3ccc(/C=N/NC(=O)c4ccccc4O)cc3)n2)cc1)c1ccccc1O 1857561760 FWYASKIHHCIXIL-IBLHGWQZSA-N 843.813 6.657 50 1 KKGF Cc1ccc(CN2CCN(CCOC(=O)[C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)CC2)cc1 1857594700 QDIBTELUELIDQG-OJZXHOOGSA-N 705.981 6.220 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(OCO)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@H]3CO 2356292359 PXLYPPVDZHHBNF-NBRRCJEUSA-N 963.228 7.735 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@H]5CCC(=O)OCC)[C@@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356308384 PUMLRJLEIVTIEX-DDINGBQESA-N 632.717 5.416 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356370051 MAXYPJDNACDEOB-IVFWDGRASA-N 843.253 9.431 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1OC(=N)O 2356409647 OHWUDMVJYPQYDU-PCMOUXJMSA-N 986.472 12.456 50 1 KKGF C[C@H]1CSS[C@@H]2C=C[C@@]34C[C@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)[C@H]3C[C@@]1(CCC2(CCCC2)C1)C[C@@]41C=CC[C@@H](C)C1 2356667187 KRYDUCHZFSFIFY-FOIQFEKASA-N 694.107 11.463 50 1 KKGF COOC[C@](C)(O)[C@H](O)CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[C@H](O)C(C)(C)O 2356714019 YYNMLQJLJBQYOP-FLBADVGZSA-N 524.783 6.494 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356739729 XZVNDTIDGQKYLY-SHINRXQVSA-N 717.004 5.395 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)C1CCCC1)C4 2356767846 HPWOCVSXSRYEIG-HSKZZBCWSA-N 725.835 5.537 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 2356769990 SZKWIAZIGKCVOY-MMYCPTATSA-N 682.857 6.811 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356816557 DCLDSGHNPOJCRL-VONLERNRSA-N 857.108 5.363 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356857858 SNGYTSFSRIWPDR-PBAKKBSUSA-N 881.038 6.854 50 1 KKGF COc1cc2c(cc1OCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O 26259115 XZOQZPTVGKFOEE-MSOLQXFVSA-N 534.012 5.013 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC(C=O)=C(O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 49938136 YTTUSWGEBSUIQM-ZOSAWGFXSA-N 572.830 9.152 50 1 KKGF C=C(c1ccc2c(c1)Cc1ccccc1-2)C1CCC2(CC1)CO[C@@H](Nc1cccc(C(F)(F)F)c1)OO2 64448997 KIVNCYFMTBQTAZ-XSRDFGTCSA-N 507.552 7.593 50 1 KKGF Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cccc(Br)c2n1 103204205 CSMLJTWEPISONA-SATJYTAGSA-N 622.560 7.339 50 1 KKGF COC(=O)CNC(=O)[C@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)C(F)(F)F 169299380 SIDKXMSCFDNCOQ-OALAEEEISA-N 844.962 6.097 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3O)sc2c1 299822673 AYSFBLXTLSRDTE-WKULSOCRSA-N 538.073 6.232 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056439 OKNLWNSMEOTKBR-DEDYPNTBSA-N 540.479 8.618 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372008 GZJDCNRQCYBYNB-IUDBTDONSA-N 592.088 6.960 50 1 KKGF COc1cc(Cl)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587673862 QXFJYSMUEVRDAR-OVWNDWIMSA-N 507.625 5.432 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3CC[C@H]4[C@@H]5C[C@H]6OC(C)(C)O[C@@]6(C(=O)CCl)[C@@]5(C)C[C@H](O)[C@]4(F)[C@@]3(C)CC2)N1 587717119 KMWMUUXUAJUMTN-WPDCMMPNSA-N 669.047 6.652 50 1 KKGF COc1cc2c(cc1OC)[C@@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]31C)N(C)[C@H](C)C2 962639206 PSGIKHBHKOUPFZ-MAIRZOEBSA-N 646.652 5.956 50 1 KKGF CC(C)(Br)[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963007177 BBSZTTDIMKCBLA-WZONZLPQSA-N 568.693 5.737 50 1 KKGF Cc1cccc([C@]2([C@@H](C)Br)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963042425 SINZLEQLQLTYIS-FYJPVQQCSA-N 632.501 7.561 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(OC(F)F)cc2)N1 963180241 PTQMLMMFUAQMGP-QAPCUYQASA-N 514.672 5.198 50 1 KKGF C[C@@H](Br)[C@]1(c2ccc(C(C)(C)C)cc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963191029 SGANTRLELSESBB-LDKMPEBOSA-N 628.563 7.865 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(Cl)nc21 963928826 OYCXTIXTVHXQHN-WHLCRQNOSA-N 619.992 6.066 50 1 KKGF COc1cc(/C=C/C(=O)c2ccc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc(OC)c1O 1772612544 DBOWHOREKZPKSB-WQJLQVJCSA-N 610.700 5.909 50 1 KKGF CCCCCCCCNC(=O)[C@H](OC(=O)CCCCCBr)[C@H]1O[C@@H]1c1ccccc1[N+](=O)[O-] 1772618602 OIUHEWKHFMDATP-XPWALMASSA-N 527.456 5.379 50 1 KKGF CCCCCCCCCCOc1c(OC)cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c1CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1857615357 KAAZBNNYJKPEMO-QUMJVFPMSA-N 641.769 7.534 50 1 KKGF CC(=O)NC[C@@H](I)CC(C)=C1O[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2[C@@H]1C 2356490489 KGBSGBJFEOXATN-DZABIPLUSA-N 623.616 6.746 50 1 KKGF C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(C(=O)OC)C[C@H](C)[C@H](OOCc4ccccc4)[C@@H]3[C@H]1OOCC)C2(C)C 2356674040 SDTJJXRTWBQJRR-NYVAPLFNSA-N 526.670 5.793 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@@H](Br)CCCC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356730429 FZJXXSXLNFVUGM-LXTQFFRSSA-N 563.705 10.182 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356771454 YAWSGAKNUKJJGF-OJEOABLRSA-N 915.177 7.499 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@@H](O)C5 2356774255 UGEQXQQTYQVGHZ-HTYFGBJXSA-N 908.277 7.387 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@]1(C)O[C@@H]1CCC1=C[C@@H](NC(N)=C1)C1=C[C@@H](Cn3cc4cc[nH]c4c3)NC(N)=C1CSS2 2356829421 IYFAXPIGOVAGTL-XYGRMCHBSA-N 808.983 5.194 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356846456 ONZOORMYIZRWNJ-IZJRYYIHSA-N 967.356 8.570 50 1 KKGF COc1cc(/C=C/C(=O)N(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)ccc1OC(C)=O 72178211 XBNVYPUQWSYEPS-IIEJRAKUSA-N 620.333 8.710 50 1 KKGF O=C1C(OCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C2CCCCC2)C(=O)c2ccccc21 95560734 XWDYIRCBQGEWBX-UHFFFAOYSA-N 559.666 7.301 50 1 KKGF Oc1ccc2c3c1O[C@H]1C(SSC4=CC[C@@]5(O)[C@H]6Cc7ccc(O)c8c7[C@@]5(CCN6CC5CC5)[C@H]4O8)=CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 96903204 MISQVYHQGPUWFC-DBHWXZSLSA-N 712.934 5.295 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 150349166 FLBMWPIGKGLDDR-RGDHSUCTSA-N 951.288 10.601 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)CS(=O)(=O)c3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169366177 ZICISAPTXRLDEV-UXPBWDKISA-N 790.969 6.171 50 1 KKGF CCOc1ccc(/C=C\c2cc(-c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c3cc(Br)ccc3n2)cc1 587000527 BYSNJTLQADZJNZ-CLTKARDFSA-N 596.419 9.767 50 1 KKGF Fc1c(F)c(F)c(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c1F 587134465 LOWBLCARZYIJPB-UPHRSURJSA-N 515.170 7.849 50 1 KKGF O=S(=O)(Nc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Cl)c1ccc(F)cc1 587170746 HZLLUMJMQYXLFO-UHFFFAOYSA-N 527.899 7.481 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587329997 ZIGZYEJLLQGSFP-NINBXLSBSA-N 683.600 6.810 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1cccs1 587377727 SQBVMRCTSFBFHL-XCZPVHLTSA-N 510.030 6.747 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 587672862 IPRUPHQSXHTFKG-FVINQWEUSA-N 549.065 6.723 50 1 KKGF COc1cc(/C=C(\C#N)[C@@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(I)c1O 587740134 WRNXXRRROAWGGZ-GJGDJHPDSA-N 651.270 5.703 50 1 KKGF COc1ccc(Cl)cc1C#Cc1cccc(C(=O)[C@H](Cl)C(=O)c2cccc(Br)c2)c1 587904652 SVPHZOKRZWSILG-QFIPXVFZSA-N 502.191 6.184 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@](CBr)(c2ccc3c(c2)OC(F)(F)C(F)(F)O3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963183339 DPHRHHUXINNTOW-NGQVCNFZSA-N 688.424 7.135 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1cc(F)ccc1Cl 963857070 XSPFBTDYDLOJFO-OSPHWJPCSA-N 526.830 6.063 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(C#N)c3)CC2)nc2ccsc12 1772652719 MWXHRAPYPDVMJW-QPJJXVBHSA-N 520.662 6.585 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2ccccn2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857556574 NOPQWPXEGLWNJC-TXBUCQCASA-N 580.766 5.689 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccccc1C(F)(F)F)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857590287 UGNINGPMZFVBMM-MRXNPFEDSA-N 513.428 5.526 50 1 KKGF Cc1ccc(N2C(=O)c3ccccc3[C@H](C=NNC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)C2=O)cc1C 1857605126 CXFWJKFMIFOCKV-LJAQVGFWSA-N 568.098 6.936 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356359141 DNFFRHFBFSPDCH-QDEJSLESSA-N 861.174 5.059 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356360842 PKMBWMDJQUGTGG-ABRRCHCVSA-N 590.845 6.972 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCCC5(CCCC5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356363638 KZIOCCRFTCBLOS-PEVRIFQXSA-N 916.209 5.967 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356365361 KWOSYJBIBNBURT-LQJXFLPRSA-N 951.343 8.404 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356420576 GTNWJJTZQLWLEN-LCRCYMICSA-N 739.778 11.048 50 1 KKGF CC=C(C)C(=O)O[C@@H]1C[C@]2(C)[C@H](CC(=O)C(C)=CC(=O)OC)C(C=O)=CC[C@H]2C(C)(C)[C@H]1OC(=O)C(C)=CC 2356430570 VXHKLPBHZWQEEJ-KBTSLXFISA-N 542.669 5.019 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356620939 JPECSVDXVJQYSJ-ZSSXAWPZSA-N 830.164 5.535 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)[C@H]3CSSC[C@H](CCO)[C@H]4[C@@H](CO)C[C@H]1CC1=C3C(=O)C[C@]142 2356703094 LQMDFJMHSFIIIB-NBBYZGBOSA-N 778.235 7.318 50 1 KKGF CC(C)(Cl)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@@](C)([C@@H](O)CC[C@@H](O)[C@@]2(C)CC[C@@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)C2)C1 2356762668 MJHMIBYCWMSRPM-DSWNBZBPSA-N 737.526 8.725 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@H]2O)CCC=C(C)CN[C@H](C)CCOC 2356780114 LMPNKBJHSNHPPL-MBSYWPFISA-N 656.949 5.089 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@@H](C2(c3ccccc3)CCCC2)SSC1 2356865385 WBSOPPUAHAQJRU-WOGOVJIYSA-N 632.892 7.265 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356870309 XPPSCLXYRHEQEI-RGJQVVJTSA-N 900.129 7.173 50 1 KKGF COCCc1ccc(OCc2cccc(-c3ccc(C(=O)NNC(=O)C(=O)c4c[nH]c5ccccc45)cc3)c2)cc1 72173590 WXVJFRUQXJHDPY-UHFFFAOYSA-N 547.611 5.247 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](OCNC1CCCC1)CC(=O)CC2 85597417 KOFDCWBISUDVOF-RRPNLBNLSA-N 611.826 6.729 50 1 KKGF biogenic,in-vitro CN(C)CCn1nc2c3c(c(NCCCCc4ccc(N(CCCl)CCCl)cc4)ccc31)C(=O)c1ccncc1-2 95592933 ZIEPPSKHIYBGTJ-UHFFFAOYSA-N 579.576 5.923 50 1 KKGF Cc1ccc(Cl)c(/C=C(/C#N)C(=O)NCc2cccc(CNC(=O)/C(C#N)=C\c3c(Cl)ccc(C)c3F)c2)c1F 103265828 QNJBJQXBVWQXED-IINORCHSSA-N 579.434 6.335 50 1 KKGF C=C(c1ccccc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169313923 ZOPPIEXJTMDFHN-OXCFRXFVSA-N 548.852 9.864 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 170069508 ZGOBOELGRBUBPZ-FLBADVGZSA-N 584.789 6.223 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)O[C@@H]5CC[C@]6(C)C[C@H]7C=C[C@@]6(OO7)C5(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C 253635080 ROBCWKFPUJQMPN-RRNGXNOTSA-N 636.958 10.774 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 253918754 ZYNDZWJYJYLFBP-AOWGLZLQSA-N 540.716 7.099 50 1 KKGF COc1ccc(C)cc1NC(=S)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828216 SYDBLWNUXFOASI-UHFFFAOYSA-N 500.668 5.651 50 1 KKGF C[C@@]12CC[C@H]3[C@]4(C)CCC[C@@](C)(C(=O)OCCCCCCCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H]4CC[C@]3(CC1=O)C2 473122468 JDULWSGGWIVMDW-JVSOITSBSA-N 691.957 10.236 50 1 KKGF CC(C)(c1csc(-c2c(Cl)cccc2Cl)n1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587019019 SVSAAMXTMBNVAY-UHFFFAOYSA-N 514.372 8.977 50 1 KKGF NNC(=O)c1ccc2nc([C@@H](Cc3cc(I)c(O)c(I)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 587180944 TZTOQGIWAZCSFV-HHHXNRCGSA-N 785.380 5.904 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587498156 FTGVUVJDEIMGFA-MHZLTWQESA-N 559.287 7.115 50 1 KKGF COc1cc(Br)c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1OC 587537083 AJFWLXOYXCBYDN-OFNKIYASSA-N 550.199 5.424 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587683159 FSSPDKIHVITITP-OGJDEFQISA-N 667.487 7.979 50 1 KKGF COc1ccc2c(c1)c([C@@]1(CCl)c3ccccc3C[C@@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(N)=O)N1C(C)=O)c(C)n2Cc1ccccc1 962048083 VZLLRHGLTXQJAT-XKLAZABPSA-N 679.217 5.181 50 1 KKGF CC(C)C[C@]1([C@H](Br)[C@H](Br)c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951052 GDXIXFVJLAZXBN-OYRHQHFDSA-N 589.334 7.498 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)c1c(F)cccc1C[C@H]1CCCN13 963095904 DIWXYMOJZPEUTP-FMUKUTBLSA-N 666.922 8.865 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@]2(N1)c1cc(Br)cc(F)c1C[C@H]2Br 963196195 SDRIQQNUZOWEMR-PMUMKWKESA-N 557.563 5.423 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1ccc(F)c(OC(F)(F)F)c1 963903604 BJWDDMKHMSGLIO-OSPHWJPCSA-N 576.381 6.308 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@H](c2cc(S(F)(F)(F)(F)F)ccc2F)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948162 RDNGBYCSAFPMAP-FXAKWJDQSA-N 709.800 7.710 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(Cl)c3)CC2)nc2ccsc12 1772618473 HEJNMEKMCPQANR-GQCTYLIASA-N 530.097 7.367 50 1 KKGF COc1cc(N[C@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccccc1 1857760333 GYFFJJZUDSIHFX-RYMUSSAVSA-N 627.826 8.030 50 1 KKGF CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2 2356321275 CKGGHMQKVKSOSM-GQPMABJUSA-N 820.090 8.176 50 1 KKGF CN[C@@H]1CSSC[C@](C)(O)CC[C@H]([C@H](C[C@H](OC(=O)[C@]23CCCC[C@@H]2CCC(=O)N3)C2([C@@H]3CC[C@@H]4c5c3ccc(O)c5OC[C@H]4CCO)CCNCC2)OC(C)=O)CC[C@H]1O 2356349692 LTMFVICKYUJLDI-IBNSAGNASA-N 890.219 5.458 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356353951 DSKZILNPXIEHDU-ULLUFSTMSA-N 775.084 5.658 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356365125 FXXXFEUNMISNMR-RCEONESASA-N 899.267 6.909 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]5O 2356365585 OIVWPVNFIYEIDI-KIWNAXNNSA-N 954.302 6.068 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@@H](O)C1 2356369664 TXMBBWNIZPCFPJ-FEVHPYSKSA-N 965.380 11.183 50 1 KKGF C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356718395 UZCLBOARVRMPFZ-DBGMYRIFSA-N 908.243 11.064 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(C[C@@]53CCC[C@@H]3O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356769266 ZXWWYIQDBFVEBW-QUGPWFCUSA-N 994.323 5.205 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H]2NC[C@@H](c3cccc(c3)C1)[C@H](C)N2 2356774085 QICZKHKPZDWUKQ-ZEBNAYBBSA-N 726.015 5.035 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c2c1CSSC[C@@H]1CN[C@H](N)c3ccc4c(c31)Cc1c[nH]c3cn(cc13)[C@@H](CC#C[C@@H]4O)O2 2356778054 KYNPMNGSCJRWTE-HTZDMSELSA-N 714.954 6.656 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@@H]1CO)N43 2356853706 RIPMBGNCPPOVEY-NCVDTNFWSA-N 709.971 5.983 50 1 KKGF c1ccc2c(c1)OC[C@@H](CNCCCCCCNCCSSCCNCCCCCCNC[C@@H]1COc3ccccc3O1)O2 43409374 AOVGGARUNFMLQB-LOYHVIPDSA-N 646.964 5.527 50 1 KKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(C[S@@](=O)c2ccccc2)=N1 43799620 JGHSDLIRFHJJFX-QYKFUCTBSA-N 593.671 6.767 50 1 KKGF C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@H]4COC5(CCCCC5)OO4)cc3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 44360651 NXJXTJMPAPYPQU-LQFQNGICSA-N 626.746 9.312 50 1 KKGF O=C(COc1ccc2c(=O)cc(-c3ccccc3)oc2c1)N/N=C/c1cccc(OCc2csc(-c3ccccc3)n2)c1 66073612 IKSRZCJNFBXGJK-XZYGTATASA-N 587.657 6.692 50 1 KKGF CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSSC[C@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OC)C1 85596900 WESNDGOXVMPKAH-YYSUVWCSSA-N 797.097 7.295 50 1 KKGF biogenic,in-vitro Clc1ccccc1CNCCCCCCCNCCSSCCNCCCCCCCNCc1ccccc1Cl 169328731 AFPZUUIXKCIRBY-UHFFFAOYSA-N 627.836 8.334 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1C(=O)C=CN(C(=O)c2ccc(C(F)(F)F)nc2)[C@@H]1c1ccc2c(c1)OCO2 210995705 LSQCDAYAJPUBNG-YADHBBJMSA-N 520.580 5.499 50 1 KKGF CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1)OC(=O)N(CCCl)CCCl 253633949 PHMVJSWULBLUSV-COWVTECOSA-N 835.139 14.872 50 1 KKGF CC1=C[C@H](O)CC(C)(C)[C@H]1CC/C(C=O)=C\C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C 255209325 FJWGLEVADWWUFR-WNPXAJBTSA-N 584.885 9.806 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H](O)C[C@](C)(O)[C@H](Cl)CC[C@]3(C)O[C@H]3CC/C(C)=C/[C@@H]12 255221260 JLHAOQMKTFIUTM-IFECFGELSA-N 719.400 7.492 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)N(C)C(c2ccccc2)c2ccccc2)c2ncccc2c1 299826965 OAJGXGGYQPJGCT-JOCHJYFZSA-N 540.668 5.469 50 1 KKGF S=C(Nc1ccccc1)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1 473151512 PPLJDSQQFFEMBY-UHFFFAOYSA-N 518.758 8.104 50 1 KKGF O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1I 473152715 VSCNURWYQHJYMN-DHNIRKAVSA-N 654.481 7.138 50 1 KKGF FC(F)(F)c1ccc2ncc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2c1 587113714 XTMADSOMZKWYQZ-UHFFFAOYSA-N 518.227 8.217 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189261 AMRCNBRQZFEVJT-YEXLVFSCSA-N 708.660 8.376 50 1 KKGF COc1cc2c3c(c1)O[C@@](COC(=O)Cc1ccc(CBr)cc1)(c1ccccc1)[C@@H](C2)C3=O 587413780 QFAFYDANNBYKHT-CUNXSJBXSA-N 507.380 5.019 50 1 KKGF O=C(Nc1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1)OCc1ccccc1 587537510 GQQNEELCMUEZGJ-IRPSRAIASA-N 560.400 6.393 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)ccc2O)N1 587674202 ULHZUTRUABCNBM-XYZCENFISA-N 508.023 5.229 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 587684043 JSLUBOMJEMMGMA-XGCWNURASA-N 527.865 6.198 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccc(OC(F)(F)F)cc1)[C@@]1(CCC2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962963403 VSBGTGNDDOBSJD-YWEHKCAJSA-N 591.552 6.397 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)([C@@]1(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]31C)N(C(=O)c1ccccc1N)CC2 963137145 HZDYOZAYWQKRSK-OVXSOEJESA-N 803.780 7.494 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1cccc(Cl)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795575 JHXMDLBPOVMCFD-MUUNZHRXSA-N 523.416 5.589 50 1 KKGF CC1(C)CC(O)(COc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC(C)(C)N1 1772646338 ZFRNTDGXHABPQS-UHFFFAOYSA-N 525.730 6.222 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356353186 JQJOKSCWQMFEBA-VOITXNOISA-N 835.190 8.800 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN[C@H](CC)C1)C3 2356366117 AIZXGGJRMDDHHI-YIHAFHILSA-N 698.813 5.200 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@H](CNC5CCCCC5)[C@H](CCC(C)C)C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356480564 IWIQSYROYLFGFV-BUBYEHCLSA-N 850.194 7.694 50 1 KKGF C=C(C=CC=C(CCC=C(C)C)COC(C)=O)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O 2356517449 KPFIRSWIEJGVNZ-RTMXLORFSA-N 528.730 5.541 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356543211 IIXNSKYSPHYGGM-LRGRKQCPSA-N 901.239 5.838 50 1 KKGF COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C=O)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC(C)(C)OC 2356706617 NLSHXTJPFWTWFP-UHFFFAOYSA-N 598.912 11.201 50 1 KKGF CC1=C[C@H](OC(=O)c2cccnc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@]2(C)[C@H](OC(=O)c2cccnc2)C[C@@]2(C)O[C@@H]2CC1 2356713481 JZUGYIGNDSBHOY-FPEFPRLTSA-N 696.797 6.963 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356768004 IOIGSXZZBSUSIN-INJJWOLCSA-N 930.335 7.112 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](O)C[C@@]4(C#C[C@@H]3C=C12)C[C@@H](c1ccccc1)CC[C@H]4CO 2356816721 DEFLZRDLYHDVAS-KLTVKNQPSA-N 966.320 6.842 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@](CC)(C#C[C@@H]3C=C12)[C@@]1(CCC[C@H]1CNC)C4 2356876377 ZKAAFZQNHMSDLN-OJXSLRKWSA-N 927.331 7.341 50 1 KKGF CN(C)c1ccc(/C=N/NC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c2ccccc12 28640037 OHWBUXURVPBENB-QXUDOOCXSA-N 502.662 6.686 50 1 KKGF ClCCN(CCCl)CCCCOc1cccc2c(Nc3ccc(OCCN(CCCl)CCCl)cc3)c3ccccc3nc12 49614292 WHAZOAOOBVJHTH-UHFFFAOYSA-N 666.521 8.229 50 1 KKGF COC(=O)NOc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 64448970 OMWLPMOXNYJRCQ-HXUWFJFHSA-N 608.054 6.687 50 1 KKGF O=C(CSc1nnc(Cc2c(NC(=O)CCl)sc3c2CCCC3)n1NC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1 72173589 FDJQQPZQIBTWLE-KPGMTVGESA-N 656.621 5.266 50 1 KKGF C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)N=C(N)NC[C@@H]3Cc1cccc(C2CCCCC2)c1 85549316 VGJUBNOVYDHLBE-IHPLKISVSA-N 680.037 7.188 50 1 KKGF biogenic,in-vitro CCN(CC)Cc1ccc([C@H](Cl)[C@H](O)[C@@H](C)[C@@H]2C/C=C/C(=O)N[C@H](Cc3ccc(OC)c(Cl)c3)C(=O)NCC(C)(C)C(=O)O[C@@H](CC(C)C)C(=O)O2)cc1 95539879 QMFWVKSHHGFQOH-QUCIKMGWSA-N 790.826 6.167 50 1 KKGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CCCCCCCCCCBr)c1ccccc12 98084184 RUPYLHGITNAEND-PMERELPUSA-N 576.491 6.028 50 1 KKGF CCCC[P+](CCCC)(CCCC)CCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 103239177 FZRPNSDMPISOBH-UHFFFAOYSA-O 546.628 8.218 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](I)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 103257634 OYBQQRUYOJGOPX-BIJMGBHNSA-N 598.606 6.293 50 1 KKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 206000405 FXSFZQOTXHKEHM-DEOSSOPVSA-N 510.478 6.751 50 1 KKGF CCCCN(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587192771 CGKKLKIDCGCJPK-UHFFFAOYSA-N 630.477 9.534 50 1 KKGF C[C@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319127 AGZZBZAJBMGEDK-XFOPFIHFSA-N 510.359 5.454 50 1 KKGF COc1cc(Br)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587674236 VGQFHIJGTIHRGR-DGIBIBHMSA-N 552.076 5.541 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@H](C)[C@](O)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23F)N1 587722413 YKCFFGMSCYLCCG-NNVGKQDYSA-N 624.994 5.904 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@]1(CCCCCCCl)c1ccc(Cl)cc1Cl 961949111 ISUJXYICYQDYOF-NGCAANIMSA-N 645.027 6.118 50 1 KKGF CCc1ccc([C@@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963035596 IOLQZUZBYSPYKX-FJQKOURKSA-N 588.050 7.270 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc(Cl)c(Cl)c1)[C@@H](Cl)C(=O)c1ccc(Cl)c(Cl)c1 963055775 LOCKDBXORWMJRP-RRPNLBNLSA-N 580.726 7.737 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@]2(/C(=C(\C#N)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C(=O)c3ccccc32)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963927477 ACXUFOPUERGJCE-SGBAPHOXSA-N 844.032 5.951 50 1 KKGF CCCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 1857561391 JECQBHPHBSTJDJ-XHMVKLSVSA-N 591.528 6.220 50 1 KKGF C[C@@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857602411 LLNWCWXOTQNXBY-MRXNPFEDSA-N 539.482 8.483 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCOC(=O)CCCC[C@@H]4CCSS4)c4ccccc34)[C@H]21 1857633124 NBFKMBJRWMFJFU-QNLPTKCRSA-N 607.842 6.842 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356357106 GMUFOTUUBLCECS-PXFIUIIOSA-N 759.085 6.340 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(CC)=C1C 2356455678 DULFITMGTLVBII-MICVRZGNSA-N 841.150 12.314 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356476625 MCKKZSADBJKHFS-IMZQNXOPSA-N 765.998 8.152 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356646221 UPYDYPAWWZYDLK-HGFRUUGOSA-N 841.011 6.092 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@@H]5CC=C[C@@H]4O[C@@H]3C[C@@H]2O1 2356695778 WTXGTTBOKVQBGS-AWLOTSECSA-N 881.069 5.082 50 1 KKGF CC(C)=CCCC(C)=CC[C@]12OC(C)(C)[C@@H](Br)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 2356716576 RETCPPWIOCMJEO-QTLGCAHFSA-N 525.867 6.238 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC[C@]5(CCC6(CCCC6)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O 2356776338 FJNUYMDORMOUSP-XLYHAULFSA-N 970.301 7.137 50 1 KKGF CC(=O)OO[C@@H]1C[C@H]2[C@](C)([C@@H](OC(C)=O)C[C@H]3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]32C)[C@@H](C=O)[C@@H]1C(C)=O 2356799657 URSGLXUHWJPRFU-NUWFZWPASA-N 518.691 5.481 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356850317 PPGSCVQSXXXXGB-LQLYSNMASA-N 732.021 7.595 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNC3=CC(=CCN3)C23CCCC3)CCCC1 2356864211 VSOBCDYTXOFIRU-REPJWTEWSA-N 702.983 8.086 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@H]43 2356866578 WFXODNSJDFEBJV-AHQYEZJPSA-N 915.188 5.361 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc([N+](=O)[O-])ccc2o1 1489469 VZGXDZQOQQEKRB-SFHVURJKSA-N 580.984 6.916 50 1 KKGF COc1cc2cc(C(=O)[C@@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])s5)c5ccccc5c43)[nH]c2c(OC)c1OC 27636601 VASXNAGTYJPTGG-HXUWFJFHSA-N 651.097 7.048 50 1 KKGF C=C1CC[C@@H](Br)C(C)(C)[C@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 83924489 PVEFIGXLPBGZAX-HKLVZWHVSA-N 560.312 6.146 50 1 KKGF in-vitro COc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4ccccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84706066 GZCYAANKXCQBTC-XMMPIXPASA-N 500.002 5.660 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 95603966 KIFXUIURSNTAIS-KKEFEXHMSA-N 652.829 5.069 50 1 KKGF CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCC4)C3)c2O)C12CCCC2 150347359 VAOADXUHWLTMNU-AZSNJEOGSA-N 921.324 10.414 50 1 KKGF biogenic,in-vitro CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587056040 SDUKMOZTFXZYED-OAHLLOKOSA-N 577.757 7.672 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc(Cl)cc2)([C@@H](Br)c2ccccc2)[C@@H]1c1ccc(F)cc1 587319236 AWLPQNPMKKMNJZ-PKXQUSJVSA-N 537.812 7.575 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 587324538 RAFRGMDBCCVVCY-WBJKNQCFSA-N 501.941 6.032 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331959 KPCCXZJVJKDJCY-LMSSTIIKSA-N 554.376 6.804 50 1 KKGF CCCc1c(O)ccc2c1O[C@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]31C)CC2=O 587458736 FJZYJJUGCZDXKA-AXCVAVDXSA-N 631.593 6.230 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 587687338 ZZXSCCGWLAQPNR-RKNYENMMSA-N 567.242 6.153 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1cc(C)n(-c2ccc3c(c2)OCO3)c1C 962987943 NJZVCDKVEHQZNL-UUWRZZSWSA-N 635.544 6.634 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C)c1ccc(COCCl)cc1 962989709 GSSGBUMEBMDYRD-LJAQVGFWSA-N 542.459 5.991 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CBr)(c2cccc3c2OCCO3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963027954 AWLOPMSHLGHPNO-ANHUGMMASA-N 662.483 6.635 50 1 KKGF CC(=O)NCCc1ccc([C@@]2([C@@H](C)Cl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963041066 QIZGCUIXGBJHNB-WLLKSIIQSA-N 659.129 6.775 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]3(CBr)c1c(F)ccc(Cl)c1Br 963047409 PNEPWPUGZIYRRO-FQEVSTJZSA-N 514.620 5.583 50 1 KKGF COc1ccc2cc([C@]3(CCl)N[C@@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)ccc2c1Cl 963177621 OHRLGTOEXAHTIQ-ZHRRBRCNSA-N 518.746 6.255 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@]2(CC[C@@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963242134 WJURELALDVHRLD-VPYPWEPUSA-N 579.949 5.066 50 1 KKGF O=S(=O)(c1ccc([C@@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1)N1CCCCCC1 963833509 WLVKXGPHPZUSNS-WJOKGBTCSA-N 608.602 6.096 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@H](CCc1ccccc1)CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@@H](C3)[C@H](O)O4)CC[C@@H](O)CC(=O)CC2 2356371364 YHLDDUXULOWRDZ-GZZPHAHRSA-N 867.147 5.916 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356372265 AVTINTRWABOWKF-BSBJKKAOSA-N 873.185 5.202 50 1 KKGF COc1cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)[C@@H](C)CCSS5)c(O)c(OC)c1O 2356520803 ZJFUJIIHPOPGED-ONZQEOKYSA-N 738.921 6.518 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356637004 DIPMZGXKEBWQAW-ZHPKWYEDSA-N 783.107 6.506 50 1 KKGF CC(C)Cc1cccc([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@@H]24)c1 2356666413 LTPNJETVPNYTTJ-HTCRHUFISA-N 680.037 7.109 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 2356780339 STMXFFVLRXWUNB-WRGKFPNHSA-N 903.173 7.452 50 1 KKGF COc1cccc(CCNNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)c1 28462886 FJKWKDGDZANDLQ-UHFFFAOYSA-N 737.806 6.195 50 1 KKGF COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC(=O)[C@@H]3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 38361353 HUCRVNGBGBLRQA-YLMDWITQSA-N 505.699 6.235 50 1 KKGF COC(=O)c1ccc2c3c(cc([N+](=O)[O-])c2c1)N(C(=O)c1cc2cc(OC)c(OC)c(OC)c2[nH]1)C[C@H]3CCl 49708372 HOQRMRAEBPDBKM-OAHLLOKOSA-N 553.955 5.025 50 1 KKGF O=C=NCCCCCCN1C(=O)N2[C@H](c3ccccc3)N(CCCCCCN=C=O)C(=O)N2[C@@H]1c1ccccc1 73417915 QRTFPCQLDITABX-VSGBNLITSA-N 544.656 5.567 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 150348626 HPQIQNHBGAQRGO-YKSWFLLQSA-N 983.399 10.172 50 1 KKGF biogenic,in-vitro CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(C4(NC)CCCCC4)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 150349756 ZVZMAVWCFRTGTN-AELDUZCGSA-N 1011.340 10.196 50 1 KKGF biogenic,in-vitro CN(CCCCCl)[P@](=O)(OCc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)[P@@](=O)(OCc1ccc([N+](=O)[O-])cc1)N(C)CCCCCl 169326895 ROKARLAVHOSXAJ-OCQXTOTRSA-N 722.327 8.613 50 1 KKGF COc1cc(C(=O)OC[C@H](O[Si](C)(C)C(C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 195394262 DMCRHARSTGMREL-QHCPKHFHSA-N 536.694 5.658 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 211048010 XLALLISGANRDDC-DWFNGTSHSA-N 504.594 5.324 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 299820321 KWGXYYDWZMLXGP-HIVXYOPWSA-N 648.834 6.831 50 1 KKGF O=C(NCCCl)Oc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)c2ccccc2)cc1 473135224 GROAGGGMTSXURG-UHFFFAOYSA-N 501.764 5.260 50 1 KKGF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587065920 FEDHARWWLWJOHL-UHFFFAOYSA-N 512.729 8.402 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)[C@@H]1c1ccc(F)cc1 587321080 ICSGQMOXDUSXSY-NOZRDPDXSA-N 563.206 7.142 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[C@@H](Br)C1 587321736 DYASETSXHGHWJW-SKPFHBQLSA-N 506.368 5.033 50 1 KKGF O=C(CCl)NCc1ccc([C@@]2(c3ccc(Br)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587325349 XQXSTQRIZKPCLI-XTEPFMGCSA-N 584.825 6.045 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 587712701 BKCKQISYNCZYLV-MLTMRYFHSA-N 541.839 7.002 50 1 KKGF COc1ccc2c(c1)[C@@](c1ccc(Br)cc1)([C@H](Br)C(=O)c1ccc(Br)cc1)N(C(C)C)CC2 962090033 IDLWSDYWFSYCRC-SXOMAYOGSA-N 636.222 7.377 50 1 KKGF FC1(F)Oc2ccc([C@]3(CBr)c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)cc2OC1(F)F 962629727 CELVEKLMDYOWSK-PXDATVDWSA-N 563.389 6.029 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(C)c1ccc(OCCCCl)c(OC)c1 962982617 BGVZULVDUFWCFH-WJOKGBTCSA-N 586.512 6.295 50 1 KKGF CO[C@@H]([C@H](O)C[C@@]1([C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]2O[C@@]3(CC[C@@H]2C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O3)NCCc2nc3ccccn3c21)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 962992080 WXMZNRBEAOARJM-BFNSIHKXSA-N 910.159 5.905 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)c3ccsc3CCN2Cc2cccnc2)cc1C 962993515 CAMAYWFOKFDFEI-IOWSJCHKSA-N 515.122 7.169 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CBr)(c2cc(F)c(I)cc2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963033430 FFUJDICHWGNNJB-PPTMTGTBSA-N 827.229 8.370 50 1 KKGF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 963705237 QDJPQHHZICOGKZ-QRQMUESOSA-N 644.349 5.924 50 1 KKGF Cc1cccc2c1[C@@](c1ccc(F)cc1)([C@@H](Cl)C(=O)c1ccc(F)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963831450 GQGUFJLQCBXVJE-JWZRJXMASA-N 570.032 6.644 50 1 KKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@]12C(=O)N(Cc1ccccc1)c1ccc(Cl)cc12 1857599340 DFPUUKMNKGZNKM-MGBGTMOVSA-N 573.992 5.738 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2cc([N+](=O)[O-])ccc2O)nn1 1857630368 AYNKMHYSDIGBOM-PQYBFXJRSA-N 550.656 5.688 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SSCc1cc2cnc1N 2356304601 UGFXGOJISJSBRT-AWCXEYNZSA-N 510.681 5.691 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356366691 OOPWXZHGLCELGS-UZRHFPPRSA-N 903.255 6.431 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@H](C)C6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356367799 HRDNAMNKTPWRTQ-FKFKHHQRSA-N 844.146 6.529 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@@H](O)CCC(C)C)c(=O)oc3cc1O2 2356372021 WBPXDCQQMMWEBK-DJUORMBXSA-N 875.167 6.368 50 1 KKGF CC(=O)O[C@H]1CC[C@]2(C)[C@@H](CC[C@@]3(C)[C@@H]2C=CC2=C4CC(C)(C)CC[C@]4(C(=O)OC(=O)[C@]45CCC(C)(C)CC4=C4C=C[C@@H]6[C@]7(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]7CC[C@@]6(C)[C@@]4(C)CC5)CC[C@@]23C)C1(C)C 2356527819 OETSCDNEBPSEFP-MAZRYLBRSA-N 975.449 15.363 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCCC4)c(=O)oc3cc1O2 2356533488 HOYVHYAMLXTPOG-FDQAZRBHSA-N 873.151 6.223 50 1 KKGF C=CCC=CN(C)C(=O)CCCCCCCCC=C[C@@H](CSSC[C@@H](C=CCCCCCCCCC(=O)N(C)C=CCC=C)NC(C)=O)NC(C)=O 2356603023 UJORQZOJHPJQER-LQDDJWCHSA-N 759.180 9.828 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356728807 VNCSOJHQVFAUMC-AREFHWAHSA-N 904.297 6.939 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)CNCC 2356778605 YYJITTUVSRWVSB-BXKHDUSTSA-N 676.983 6.151 50 1 KKGF O=C(CBr)Nc1ccccc1Cn1c2c(c3ccccc31)C[C@@]1(O)[C@H]3Cc4ccc(O)c5c4[C@@]1(CCN3CC1CC1)[C@H]2O5 28762747 GBXBARRNQZEHCA-JJVQHPENSA-N 640.578 5.428 50 1 KKGF NCCc1c(SSc2[nH]c3cc(Br)ccc3c2CCN)[nH]c2cc(Br)ccc12 85851878 UEAVXFIIBASFEK-UHFFFAOYSA-N 540.350 5.976 50 1 KKGF CCO[P@@](=O)(F)CCCCCCCCCC(=O)NCCCCCNC(=O)c1ccc(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)c(C(=O)O)c1 95549469 FZIJJLXVCAPXNY-KZRJWCEASA-O 779.911 8.337 50 1 KKGF Cc1c(C(=O)NNCc2nc3ccccc3n2Cc2ccc(Cl)cc2)sc(C(=O)NNCc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1C 95563603 WPWVFYHOQGFILN-UHFFFAOYSA-N 737.717 7.337 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@H]34 150345869 NVMJHAZFNIUGRB-CCXHMHGUSA-N 913.172 5.959 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(-c2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(F)(F)F)c(C(=O)OC)c43)cn2)nc1 150545294 QFVSENBRCVPOJF-PFWBFKGESA-N 957.668 8.893 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 169313917 ZYLUBFUCBZLRNB-JPXXDDFWSA-N 583.297 10.518 50 1 KKGF CCCCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 238732855 LCXIOZVDXMDUJO-NGXVWMITSA-N 868.700 12.144 50 1 KKGF CC(C)=CCC[C@H](C)[C@@H]1C2=C([C@@H]([C@@H](O)[C@H]3C(C=O)=CCC=C(C)C[C@H](O)[C@@H]3[C@@H](C)CCC=C(C)C)OC2=O)[C@@H]2C[C@@H]2[C@@H](C)C[C@@H]1O 255219369 IEWUYJSHCSXBOC-KUTRDNCNSA-N 636.914 7.446 50 1 KKGF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2N1 587123804 JZQFKDVBOHLIJM-KGFZYKRKSA-N 526.251 7.154 50 1 KKGF O=C(NC1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CCC2(CC1)OCCO2)OCC1c2ccccc2-c2ccccc21 587238242 XYRKTNRZXKAVEJ-UHFFFAOYSA-N 700.524 9.034 50 1 KKGF COc1ccccc1Nc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587241358 URZLXQNXAIJNNQ-UHFFFAOYSA-N 520.321 8.402 50 1 KKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 587324901 ASPAUETXSYLOFR-XRKRLSELSA-N 505.973 6.441 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587712347 OYXYOOJMAONIKF-SPSFWMDKSA-N 564.248 7.685 50 1 KKGF CN(c1ccc(-c2csc(/C(C#N)=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1)S(C)(=O)=O 587923986 WIPJQRKRKIAIQA-MOSHPQCFSA-N 523.724 6.571 50 1 KKGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23c2ccsc2CCN3Cc2ccco2)[C@@H]1c1cccc(C(F)(F)F)c1 962704438 GXJQZWLVDWWNKH-KCWPFWIISA-N 553.562 5.239 50 1 KKGF COc1ccc([C@@]2([C@H](C)Br)c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2N)cc1Cl 963135925 GFUCQDBMAUYAIX-OQRWROFFSA-N 559.888 5.674 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@H]1c1ccc(OCCCCBr)cc1 963151337 SXIWJOBNCDEEJK-QZTJIDSGSA-N 511.438 5.033 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 963176267 SVXFJLLOBRTBPO-LWQYYNMXSA-N 720.561 7.643 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1ccc([N+](=O)[O-])cc1Br 963841644 QEHZCVJASMIUSX-OSPHWJPCSA-N 598.288 5.941 50 1 KKGF O=C(CCl)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3cc21 1772589157 KEGSHKNUFZQPHG-UHFFFAOYSA-N 557.365 5.435 50 1 KKGF Cc1ccccc1-n1nncc1CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c2nc4ccccc4nc2c2ccccc32)c2ccccc21 1772636905 JUFNVODXQYFSSK-DIPNUNPCSA-N 612.653 5.745 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@]2(C(=O)OC)OO[C@@H]2C4=C3C)C(CC)=C1C 2356304938 KYNYKHQLJCCCDE-SSWMMCHVSA-N 885.203 12.487 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)NCCCC)[C@H]12 2356339519 ONVBEKYLAHOXOC-UQAGRIQOSA-N 537.785 6.955 50 1 KKGF CCCCC[C@H](O)[C@@H]1C[C@@H]2CN(CCCOC)CC[C@@H]2[C@](O)([C@@H]2Cc3c(c(CO)c4c5c3OC[C@@H](CO)CCc3cc6[nH]ccc6cc3[C@H]3CC(=C5C(C=O)=C(C(=O)OCC)O4)C[C@H](CO)C3=O)O2)C1 2356350136 VNIDVRYUYQZTAQ-NMCQWGCLSA-N 969.182 5.871 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3CCC[C@@H](CC[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)C3 2356367238 YWODMNGWCIRMKY-RVMZDGOYSA-N 732.917 6.567 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4Nc5nccc6c5-c5c4cccc5[C@@H]4CCC[C@]64C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356447629 YINMVCVPKBNDCL-YPCUZZIISA-N 861.007 5.824 50 1 KKGF CNC[C@@H]1SSC[C@H]([C@@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)Cc2ccc(O)c(c2)O[C@H]2CCC[C@H]1C2 2356483819 YZJNNQHPNBUBGJ-MCHXAWAISA-N 724.942 6.751 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356541945 RMSMYAKMOIBKLU-XIOYLIOMSA-N 879.247 8.388 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@@H](O)CC3CCCCC3)C2)[C@H]1CC(=O)O 2356672242 BFSIVCYSFHTQQN-MTFJAHAVSA-N 692.044 8.617 50 1 KKGF CC(C)=CC[C@@]12O[C@@]3(O)[C@](CC=C(C)C)(C[C@H](CC=C(C)C=O)C(C)(C)[C@@]3(C(=O)CC(C)C)C1=O)C2=O 2356687081 CRJBCLDWIBFYIG-JLCWPGJYSA-N 512.687 5.478 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSSCNC9=C%10CC[C@@H]2[C@@]1(C%10=C3CN9)[C@H]4[C@@](O)([C@@H]6O)[C@@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]7C8=O 2356814051 BXCCCFHRDSTXSU-VVDGICIKSA-N 963.184 5.219 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356861031 CZHATUBGFHUMKJ-NXVZRSDASA-N 743.972 5.687 50 1 KKGF O=C(Nc1ccc(Br)c2ccccc12)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(Br)c2ccccc12 29472932 AVYCPSPQAXDXRR-UHFFFAOYSA-N 714.504 10.822 50 1 KKGF CCCCCCCCCCCCCC[C@@H](Cl)[C@@H]1CC[C@H]([C@@H]2CC[C@@H](CCCCC[C@H](Cl)CC3=C[C@H](C)OC3=O)O2)O1 44307566 ROKGRZFPUBHZGI-VJURWOQUSA-N 615.767 10.600 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Cl)cc1 45300497 DKKBLQLJHXEPQQ-IZLXSDGUSA-N 516.380 6.874 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cccc([N+](=O)[O-])c43)[nH]c2c(OC)c1OC 49746371 SFMOEMIBTAXTMX-CYBMUJFWSA-N 540.916 5.146 50 1 KKGF CCCCCCCC/C=N/NC(=O)c1cnc2ccc(F)cc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C 49763259 HXESISYBSAQCNC-BRSOXAAPSA-N 565.759 6.891 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 58618112 KWGXYYDWZMLXGP-UHDLCRTBSA-N 648.834 6.831 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 85549370 YRCVCRIVUZAGHJ-CTFKPZOCSA-N 575.885 5.374 50 1 KKGF biogenic,in-vitro COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@@H](C)CC[C@@H]3Cc4c(c(OC)cc5c4[C@H]1[C@@H](O)[C@H]2O5)-c1ccc(O)cc13 85567791 AUCPKZIIIKBONE-UMHILFSYSA-N 646.827 7.138 50 1 KKGF biogenic,in-vitro 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](OC(=O)[C@H](OC(=O)OCCl)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 169296576 LHGUMNJPNCIESN-XWQNWFQSSA-N 946.399 5.093 50 1 KKGF Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CNC(=O)C[C@@]3(C)C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(O)nc1=O 261185793 XKPREZASYVOYQM-YCPBRNJDSA-N 835.204 6.786 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc(N(C)C)cc3)c2)n1 299856012 BMARUILMGFIKGU-HKOYGPOVSA-N 639.160 6.038 50 1 KKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586974529 XPKAXEJFPLPTRX-CQSZACIVSA-N 504.837 6.064 50 1 KKGF CCCCCCCCc1ccc([C@@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587327014 OCVAZFZSKVYNGM-BVRKHOPBSA-N 509.061 8.318 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)OCc1ccccc1)CC2=O 587458455 CAPZGKLYHPEIGN-OVRNVVCXSA-N 678.226 5.472 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 587673116 KLFIFEUDIRZERS-LFPIQTJPSA-N 579.392 7.223 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@H](C)Cc1cc(Br)c(F)cc13 587738423 AHKWQDWFNKGGLL-JHOIEYPMSA-N 719.780 9.141 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(Cl)c1Cl 587851059 URMQQFFVFHPHDN-OVWNDWIMSA-N 574.137 5.861 50 1 KKGF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)ccc2O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)n1 587945365 NNUSZUFNKLZSMW-XYJCBZGOSA-N 599.681 5.991 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)c(C)c3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1C 962938483 WRRYWTQOEBRWEW-OQKIRQSLSA-N 745.066 7.422 50 1 KKGF CCCCCc1ccc([C@@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962963311 XTNNCVQJNQCAJA-RUZDIDTESA-N 510.438 6.728 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@@]23c2[nH]c4ccccc4c2C[C@@H](C(=O)O)N3C(=O)c2ccc(Cl)cc2)c1 963011664 OBPOKFVSBAZXSP-GOOPYHEFSA-N 702.978 6.995 50 1 KKGF CN1C(=O)C[C@H]2CN[C@@]3(c4cccc1c42)[C@H]1C[C@H]2[C@@H]3[C@@]3(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]2[C@]3(Cl)C4(Cl)Cl 963025067 JIYNFZOUAWYOKX-FQSNUMMGSA-N 553.144 5.188 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)C[C@]23c2ccccc2C[C@@H](C(=O)O)N3C(c2ccccc2)(c2ccccc2)c2ccccc2)N1 963092737 WTSHSBMGOOSGDW-DGLTZIJSSA-N 725.889 9.173 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@](c2ccccc2)(c2oc3ccccc3c2CBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963182655 CSHQAIFGZSBERU-SCAVLVJOSA-N 674.547 8.473 50 1 KKGF CC(C)(C)/C=C(\C#N)C(=O)N1CC[C@@H](Cc2[nH]c(C3CCC(Oc4ccccc4)CC3)c3c(N)ncnc23)C1 1772579647 RNQIAQPEDROZGD-SLWZRBNHSA-N 526.685 5.532 50 1 KKGF Cc1ccc(Oc2ccc(Nc3c(C#N)cnc4ccc(NC(=O)C[C@@H]5CCSS5)cc34)cc2C)cn1 1857604576 CQCLAZVGEAFCEC-QHCPKHFHSA-N 527.675 7.137 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc(CCCO)c5cccc(c65)[C@@H](SSCCC[C@H]3O)[C@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356291679 AUIPNDIKACUGRY-JRCLANEMSA-N 966.278 10.453 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356301372 VQQFSRWWXVYPTN-IXFGRIFVSA-N 931.323 8.950 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C2CCCCC2)CSSCNc2cc(ccn2)C1 2356314555 VAIJUJRYLJEZIO-PLTAZNGCSA-N 644.903 8.686 50 1 KKGF CCCC[C@@H]1CC[C@@H]2CCC[C@]23c2cc(c(O)c(O[C@]4(CNC)CC[C@H](C[C@H](O)OC)C4)c2)NC(=NC)NCSSC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c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c1cc(O)cc2c1 2356775350 KIFFLFCZYGUARK-SEDHPOOWSA-N 934.315 8.289 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356813712 BTXFRAFCCVEMQO-RWTYNIFKSA-N 871.135 5.753 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@@H](OCCO)CCCC1 2356826382 HJIZKZIUKPSVER-RVYKCXQYSA-N 848.185 6.351 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356832062 JTFFRDHHODAKIN-HDBCQCSRSA-N 803.060 5.407 50 1 KKGF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4CC(=NOc5ccc([N+](=O)[O-])cc5)[C@@H](Cl)C[C@]4(C)[C@H]3CC[C@]12C 2356864162 NNFGKFKPLQYECP-SKWOECNSSA-N 503.039 6.521 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1cccc(NC(=O)CCCC[C@H]3CCSS3)c1)O2 27434091 WZYMNBQOXLGFCE-DWACAAAGSA-N 528.740 6.692 50 1 KKGF CC/C(=C(/CC)c1ccc(O[P@@](=O)(Cl)N(CCCl)CCCl)cc1)c1ccc(O[P@@](=O)(Cl)N(CCCl)CCCl)cc1 49882027 ANUQECSMIFBKSJ-LWOSAIASSA-N 713.234 10.428 50 1 KKGF Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(Oc4ccccc4)c3)nnc2-c2ccc(Cl)cc2)cc1 58581312 IPJYCSOSLWHEPP-MZFJOGFUSA-N 554.075 6.931 50 1 KKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccc(C(F)(F)F)cc1)OO2 64447390 SCFMGNAYGJFNKP-ZATZZNNRSA-N 519.563 8.328 50 1 KKGF CNCc1cc(O)cc([C@@H](NCCCCO)O[C@@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 85597330 YWPCUBHEXSXCRR-XIPULUTASA-N 750.980 6.726 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC3(C[C@@H]4O[C@H]5O[C@]6(C)CC[C@@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]57OO6)CO3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169289975 DDYNFKIYCLNEIZ-OMXYHDEGSA-N 604.781 6.037 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](C(C)=O)CC[C@@H]43)C2)OO1 169358768 BZJKLPFPEWITKC-OKKKAGAFSA-N 513.118 7.644 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CCCCCCC[C@]3(C[C@@H]4C(=O)O[C@@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253648186 WNTGRHJTKAHRDX-MUJWIMCMSA-N 913.111 8.643 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CBr)c2c1 587620849 HQSLOKKGZKMWKF-UHFFFAOYSA-N 534.363 5.587 50 1 KKGF COc1cccc(C(=O)[C@H](Cl)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587688901 OIQGRYSWXUNWSY-BXUPLMHSSA-N 532.837 5.874 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2[C@]2(c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 962638236 KTGJWUNUHLAUAY-ROSARXERSA-N 716.999 7.766 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@](C)(CCCO[Si](C)(C)C(C)(C)C)N2C(=O)OC(C)(C)C 962706402 JGBWIJCCJCFQJD-VSGBNLITSA-N 521.746 6.494 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)c1ccccc1C[C@@H](C(=O)O)N5C(=O)c1cc(Cl)c2c(c1O)C(=O)O[C@H](C)C2 962931366 BEYBDEHFEFUXPC-YLFPWABQSA-N 852.780 7.042 50 1 KKGF CC[N@@+](C)(CCCCCN[P@@](=O)(OCc1cnc([N+](=O)[O-])n1C)N(CCCl)CCCl)Cc1ccccc1 1857537937 VFRFRVULRVEXCZ-NBWQQBAWSA-N 578.502 5.159 50 1 KKGF O=S(=O)(Nc1ccc(-c2csc(N/N=C/c3ccc(N(CCCl)CCCl)cc3)n2)cc1)c1cccc(C(F)(F)F)c1 1857746705 ISCSZNDOGOGZJM-ATZGPIRCSA-N 642.556 7.360 50 1 KKGF O=C(NNC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 1911570581 NOTGERDIHXHPFY-UHFFFAOYSA-N 583.639 7.480 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@@H](O)O4)CCCCC1)CC[C@H](O)CC(=O)CC2 2356354056 VKMUGRQEYBRBOD-YKJZAPIJSA-N 831.114 5.618 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)CN[C@H](CCOC)C1CCCCC1 2356414923 VOCKJMRFHJPWSH-NIGZBEPVSA-N 699.030 6.115 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356456837 SAAHHDXWOUZPPE-IDPGDPMGSA-N 918.316 8.971 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@@H](C(C)=O)N1)C[C@@H]3CO)CC(=O)CC2 2356573950 HJMFNUVCQMXWNB-SXXHWFCKSA-N 955.249 8.687 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356662824 IIFXRPBICSMTJQ-IVXHRVCJSA-N 903.173 7.983 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356735803 RPTPSEDYZQNUJK-FLWOMSQESA-N 597.887 6.605 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1C[C@]1(C)[C@@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@@H]21 2356802075 QZZQNCKNLQOAHT-HCAOAXFJSA-N 570.362 6.377 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](O)SSCNC6=CC(=CCN6)CC3=C4C(=O)O5)[C@H]21 2356814149 BYFFVJJMDDCQHC-QYBJOYLMSA-N 594.799 5.745 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)C2(CCCCC2)SSC1 2356835465 KSBQODKANFJYEP-WRONEBCDSA-N 556.794 6.087 50 1 KKGF C[C@H](Cc1ccccc1)[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](O)CCCC1 2356865077 WJMYXCWKSBQHHE-OPPFAFAPSA-N 840.165 6.851 50 1 KKGF CCOc1nc2sc3c(c2c(=O)n1CCSSCCn1c(OCC)nc2sc4c(c2c1=O)CCCC4)CCCC3 5922369 ZNOWOJMSFPKGAI-UHFFFAOYSA-N 618.872 5.866 50 1 KKGF CCOC(=O)C1=C(C[S@](=O)c2ccccc2)N(CCN(CC)CC)C(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 43260791 QTSYGMXMKZFMFC-KSTXALNGSA-N 573.681 5.869 50 1 KKGF CCCCC/C=C\C/C=C\CCCCCCCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 95540016 IKESSAPUWGYGDL-UBFIWXNESA-N 819.993 5.718 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(F)cc2)C2=C1CCCC2 103950603 RQHKSYRZTUDWHP-FQEVSTJZSA-N 523.414 6.575 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CC[C@]3(C)[C@H]5C[C@H](OC(C)=O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC(=O)O)[C@@H]5CC[C@@H]3C2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@@]12C 169358775 ZPJZAAIYSNKCFL-RLBSUZCTSA-N 897.200 10.692 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@H]1CN(CCCCCn2ccc(=O)[nH]c2=O)[C@@H](CO[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)C(=O)N[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 170141638 CUANMAXBGLOVAA-RSBVJRJDSA-N 978.358 5.268 50 1 KKGF COC(=O)[C@H]1CC[C@H]2CCC[C@]3(CCC[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N2C1=O 195408961 ZNCLZESKAPDVSI-QKFVYFNMSA-N 533.785 5.066 50 1 KKGF COCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 299806309 BQRMSQJXAYZAON-ZEFAQLQCSA-N 593.500 5.067 50 1 KKGF O=S(=O)(NCc1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1)c1ccc(Oc2ccccc2Cl)cc1 586944238 HRPYMJKVEDCHBZ-UHFFFAOYSA-N 694.929 9.574 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2c1 587001964 CFVGRJYJHLOYMF-UHFFFAOYSA-N 518.103 7.289 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)[C@@H]1c1ccc(F)cc1 587319526 BZFFRNXPWBPDNI-NOZRDPDXSA-N 528.761 6.489 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 587671712 AHCYENQNAREVJQ-XYZCENFISA-N 537.021 5.432 50 1 KKGF COc1ccc([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1Br 587671751 AMCQWXQDSTZCPL-YPMLDQLKSA-N 522.050 5.532 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 587689145 PZBPPDXTNLYDDW-ZLOXQWCVSA-N 506.803 5.921 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C2\NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 587853673 AVBZDEPJUVDINA-IBYGDRNWSA-N 548.953 6.686 50 1 KKGF Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NO[C@@H]2CCC[C@]3(C2)OOC2(O3)C3CC4CC(C3)CC2C4)cc1 621478431 SJKPGJOEICOKDF-YKHGMGJBSA-N 611.783 6.639 50 1 KKGF COc1ccc2c(c1OC)[C@@](C)(c1sc(NC(=O)CCl)nc1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680232 SRZAFNKJNPUXGH-VWLOTQADSA-N 568.017 5.627 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CCCCCCCl)(c2cccnc2Cl)N1 962922626 DJSIDZNJRLBJDZ-RPLLCQBOSA-N 515.437 6.265 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CBr)[C@@H]1CCCc2ccccc21 963064324 KNAGAMZRIIAGNI-AIUIFLDSSA-N 583.523 5.876 50 1 KKGF Cc1cc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 963067953 PFVXGPQGJNKLGL-KWHBQZNLSA-N 680.551 7.727 50 1 KKGF Cc1cc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c(C)n1CCc1cccs1 963077049 QGHNMYCCXVWQJE-IUEKTVKYSA-N 612.192 6.370 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)(Cc2cccc(Br)c2)N1 963158960 DHZCDMVLQOAOHJ-JUKUECOXSA-N 667.047 7.406 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2c(Br)cccc2OC)N1 963169570 GOJGOYRWIUCHJS-SVXHESJVSA-N 727.497 7.376 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1/C(=O)c2ccccc2[C@@]12c1cccnc1CCN2C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963587827 XTWIYLVMWFDJQP-BHCMCYHMSA-N 675.667 6.007 50 1 KKGF Cc1cccc2c1[C@@](CCl)(c1cc(C)n(-c3ccc(S(N)(=O)=O)cc3)c1C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963853903 JGQLPPQLLGNUKR-WVXBCFDCSA-N 602.153 5.169 50 1 KKGF CCN(CC)c1ccc(/C=N/NC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2OC)c(O)c1 1772571091 ZNKWGGUSVDNOGM-HIWRWHBISA-N 552.010 5.882 50 1 KKGF Cc1ccc(OC[C@H]2CN(C(=S)SSC(=S)N3CCO[C@@H](COc4ccc(C)cc4)C3)CCO2)cc1 1772607660 CDBCCTUNOLHZQV-DNQXCXABSA-N 564.820 5.114 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@]12C 1857624111 XRRHDGKBIMJRKD-AWRSIQFRSA-N 546.384 6.503 50 1 KKGF CCCCCCCCCCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](CC(=O)NC2CC2)NC(=O)CN(C)C(=O)C=C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)NC(=O)[C@H]1C 1857745789 XYJSCNAYZXIXIS-CEHZCVDQSA-N 887.292 7.505 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(O)[C@@H](OCCN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857764699 XPBOFBDQTPKWTO-AXNGVGLJSA-N 962.092 5.634 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)c1cc(O)c([C@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356328339 SOQDHIOFRVNKJC-ZIBLNVIZSA-N 795.451 8.775 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](C4)C[C@H]1CC[C@@H](SSCC[C@@H]1C)[C@@H]3[C@@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2 2356357048 OMKAVNALZQESRL-LYVHOGIDSA-N 708.939 8.720 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@@H]2CSS[C@H](CCCO)[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356364056 PCXQLSOWWQSCTC-DHOVSXNGSA-N 739.953 7.304 50 1 KKGF 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543.656 6.020 50 1 KKGF CC(C)(C)[Si](OC[C@H]1C[C@H](N=[N+]=[N-])[C@@H](n2ccc(NC(=O)c3ccccc3)nc2=O)S1)(c1ccccc1)c1ccccc1 195271668 KIILGXCWZXBEAH-XWJWOQKWSA-N 610.816 5.755 50 1 KKGF COCC(=O)[C@H](C)C[C@H](C)/C=C\C=C\C=C(/C)[C@H](C[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](CC(=O)[C@H](C)/C=C(\C)C=O)[C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)O1)OC 299833162 JTTOTBPBQLZKCX-BIWZLRRZSA-N 914.187 6.636 50 1 KKGF COc1cc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3oc2=O)cc(OC)c1OC 299841377 ZNHPJJZIMDHFAD-MHZLTWQESA-N 584.669 6.234 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccnc(O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190656 MJAISINZDWLMGL-KURQEFGWSA-N 578.754 5.695 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Oc3ccccc3)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320051 DKAINHIPOZMDHU-CSMQWLBUSA-N 533.393 7.361 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1)CC2=O 587481303 BEKUCOQCUVHVMH-XCZPVHLTSA-N 528.070 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624.902 6.113 50 1 KKGF COc1ccc(C)cc1[C@@]1(CBr)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041163 QPSHWXAXBALRQO-KAODMTDESA-N 648.500 7.181 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCl)(c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 963168076 FRIUQFXLXXHDES-DFBJGRDBSA-N 588.240 7.895 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N5C(=O)OCC1c2ccccc2-c2ccccc21 963234033 LKGILABGOGJHAT-MAVOTTMLSA-N 996.850 8.978 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)c3cc(OC)ccc3CCN2Cc2ccc(F)cc2)c(Cl)c1Cl 963300427 FDPWVRCICOSMHM-AREMUKBSSA-N 601.365 6.632 50 1 KKGF C[C@@H]1[C@H](O)CC(=CCC=O)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356349968 RLUPWBUOWXFZJH-LFVVJHALSA-N 686.981 5.569 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@@H]([C@](O)(CCCCO)C1CCN(CCCOC)CC1)C3 2356350209 WYMWEYDPERKBLC-WLEFKRRDSA-N 844.999 5.066 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@H](C)C3)C2)C[C@@]12CC[C@@H](CO)C2 2356544851 GIPFFTDVEPKROP-JITQCYFYSA-N 743.180 9.818 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356665398 FWGOBHRCYWDLJQ-DGVBBRQKSA-N 781.098 7.270 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356768065 JQEWGEHUZRMESG-OEMWSJEMSA-N 908.329 7.409 50 1 KKGF Cc1ccc(C(=O)N/N=C(\N=N\c2ccc([N+](=O)[O-])cc2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 5582817 AINBTJJBNXYBOR-VNJLCCJNSA-N 522.569 5.721 50 1 KKGF Cc1c(SSc2c(C)n(C)n(-c3ccc4ccccc4c3)c2=O)c(=O)n(-c2ccc3ccccc3c2)n1C 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C[C@H]1[C@@H]2CC[C@H](C)[C@H]3CC[C@@]4(C)OO[C@@]23[C@H](O[C@H]1C(=O)C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]52OO3)O4 169293986 GZJIPMCINQOOAP-BZLAGPLMSA-N 576.727 5.447 50 1 KKGF C=CCO/N=C(\C[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]42OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616949 WGDOECSYODBCCA-ZWQOYSDJSA-N 631.807 6.436 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195464137 HJZKIBHFMSMROG-KGSLCBSSSA-N 711.907 7.130 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](O)C[C@@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 254058010 YQHVZAWAASWABR-NIHOMJOISA-N 537.505 5.338 50 1 KKGF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587117015 PRJCEHWJFLFXRL-UHFFFAOYSA-N 505.616 7.056 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 587325657 GKRRIUHBYLUPBT-XRKRLSELSA-N 519.956 6.161 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 587672258 YQXHXBCOOMVURM-XVWMFJGMSA-N 550.060 5.367 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 587682561 CTXYFDNQYSDFKR-YMXBGEKHSA-N 513.794 5.136 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 587714219 OTEVHXCQHDQPHY-WYRIXSBYSA-N 503.725 5.204 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)c1ccccc1C[C@H]1CN(c2ccccc2)CCN15 962626154 GJKDGNGDVIWWIC-HVVPJLNASA-N 701.323 7.176 50 1 KKGF CCc1ccc([C@@]2(CCC(=O)Cl)c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1 962678674 MMWVNCUQHJSJSJ-LJAQVGFWSA-N 560.012 6.773 50 1 KKGF CC(C)c1nn(C)c2c1[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)NCC2 962918468 IXXALEPMXYIYPD-XMMPIXPASA-N 548.856 5.008 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(I)cc2)N1 963169146 HGRCDSQNDZAXPF-DOTOQJQBSA-N 574.562 5.201 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963171352 JKJIODIQGYRQHL-OBDYRVMHSA-N 586.920 7.814 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(c2cc(C)n(-c3ccc(CC)cc3)c2C)N1C(C)=O 963329685 QTLGVYZKOCNJJD-MDHXRGRUSA-N 829.372 6.942 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCCCCCCl)(c2cccc(OC(F)(F)F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938490 NJMJRSYMGFCLSF-LZPBKFSCSA-N 768.364 8.155 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OCCOCCOCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857538266 RVFAEQTXULHFAJ-OJGSGKODSA-N 834.155 10.575 50 1 KKGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@@]1([C@@H]1c2ccccc2-c2nc4cc(C)c(C)cc4nc21)CC3 1857639042 GYJHRAVHEFCSIX-ZORMNXRFSA-N 507.597 5.941 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1nnc(Cc2cccc3ccccc23)s1 1911571179 USRWBYWXCMSAOX-CJLVFECKSA-N 570.627 5.735 50 1 KKGF O=C(COc1ccc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(Cl)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911581705 WRJKYWYSPPUGBU-TVWJVUPLSA-N 657.558 5.273 50 1 KKGF CNCCCC[C@@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356293039 ZQDSELUWTNKESP-HSQZTWLSSA-N 873.198 9.185 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@@](O)(CCCCO)C1CCN(CCCOC)CC1)C3 2356350208 WYMWEYDPERKBLC-VKGUILPBSA-N 844.999 5.066 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCCO)(CSSCO4)[C@@H]85)C[C@]4(CCCC45CCCC5)C[C@@H]7NN6)[C@H](O)[C@H]3O)c2c1O 2356355110 BWECGMPYEBPKNN-MLFUKXRMSA-N 943.191 5.708 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@H](N)c5ccc6c(c52)Cc2c[nH]c5cn(cc25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)CC1 2356370010 LAPDGCGEEVPYAY-DFOJQLOZSA-N 829.101 8.112 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CCC5(CCCC5)C4)[C@@H]4CC[C@@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356475385 ZSJOCJIALNRXBA-QKFVMTMJSA-N 869.071 5.956 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)C7)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OCO)c1O 2356509266 JYGUYNQVUBUIKD-ANSGTDFASA-N 950.317 6.696 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356516192 OVTNXNNDQDIEMZ-IUZJMOTNSA-N 843.203 7.239 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 2356524274 XLBOVVXSJWIJAT-UZEFYVLDSA-N 911.285 8.854 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356650843 SYHWJNTYSOQCHD-ALUBWWGESA-N 732.914 5.310 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356768063 JQEWGEHUZRMESG-BOULJKNTSA-N 908.329 7.409 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@]23CCC[C@@H]2C=Cc2cncn23)SSC1 2356831146 JMMRSLJAGPIWRQ-AHFXTOPWSA-N 646.879 6.172 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25CC[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@@H](O)C1 2356839570 LVVXSOXHDXRHNY-WKXBLAMJSA-N 871.138 6.607 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@@H](O)SSCNC3=CC(=CCN3)C23CCCC3)CCCC1 2356864210 VSOBCDYTXOFIRU-BVUCPDBNSA-N 702.983 8.086 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356868372 XATKKZWUGKUMKV-DGKFGLAVSA-N 897.173 5.747 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4[C@@H]5CC[C@@]67Oc8cccc9c8C(=O)[C@@]8(CSSCNC%10=CC(=C3CN%10)[C@@]1(C2)[C@H]4[C@@](O)([C@@H]6O)[C@H](O)[C@@]5(CO)O7)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]8C9=O 2356872827 YDNPETZFZKBCTJ-XVVWBLKXSA-N 963.184 5.219 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](O)C7CCCCC7)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356873126 ZDDAWBJEPQPIGV-ZFVSOREASA-N 977.347 9.556 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356876120 ZVKPSNJNGCNBCY-PYWACNHNSA-N 816.055 6.209 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2cc(/N=N/c3cccc([N+](=O)[O-])c3)ccc2O)N1c1ccc(Br)cc1 28702211 YMDKJHVAPBNNNV-QQIVJABXSA-N 501.724 6.174 50 1 KKGF ClCCCn1nc2c(Br)c(Br)c(Br)c(Br)c2n1 44361219 LJAKZKJSJFOYBX-UHFFFAOYSA-N 511.237 5.110 50 1 KKGF NC(=O)NOc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 64448971 JVCSKUDUPYHQNI-LJQANCHMSA-N 593.043 6.000 50 1 KKGF C#Cc1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)c1 72173543 OVLUZNMKWPSZOD-UHFFFAOYSA-N 519.436 6.283 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(CO)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 96928801 PIHGTXTYUJXWMZ-MDAXRCBMSA-N 606.797 5.876 50 1 KKGF in-vivo N#CC1=C(NC(=O)/C=C/c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 102824307 WLCFOLHABNJXCY-BCGVSBSESA-N 619.530 5.816 50 1 KKGF Cc1c(-c2ccc(OC(F)(F)[C@@H](F)Br)cc2)sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1C 103203309 FHCGEUNSQGCFPA-JOCHJYFZSA-N 574.825 7.949 50 1 KKGF CCOP(=O)(OCC)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(OC)ccc2OC)C2=C1CCCC2 103951089 HUNJNXOHIGFVGU-JOCHJYFZSA-N 515.469 5.613 50 1 KKGF CO[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/C#N)O2)C(C)(C)[C@H]1OP(=O)(O)O 169687707 YGZQQXOPNYIONQ-OEQIWPKQSA-N 706.814 5.159 50 1 KKGF CCCCCC[C@@H](Cl)C[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928820 OWZXJAFOLNMCCO-WOZUAGRISA-N 674.961 7.861 50 1 KKGF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H](C)O1 586968789 QOYILQRJRMAXHZ-BETUJISGSA-N 610.472 7.832 50 1 KKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(-c4sccc4Br)cc1)[C@@H](C2)C3=O 587449070 ANSSTIBEOOWNJQ-KSFYIVLOSA-N 520.242 6.224 50 1 KKGF COc1cccc(C(=O)[C@H](Br)[C@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587670262 JQMFPLYDPRYPGG-BUNUKWNGSA-N 577.288 6.030 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587672129 YDPSAYJOQDBSFK-LVRGLSNDSA-N 573.344 7.246 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587685693 AUDKJLASNPBHGY-LMDNVDAOSA-N 517.826 5.621 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(c1ccccc1)c1ccccc1 587689825 WSKVHCWLQRTHIK-WWOZWPLTSA-N 551.931 7.661 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2scc(Br)c2Br)N1 587841293 ALGLUQXOHHRBLN-KWKYVRJSSA-N 576.949 6.347 50 1 KKGF Fc1c(Br)ccc(C(F)(F)F)c1[C@]1(CBr)c2ccsc2CCN1Cc1cccnc1 962995161 FKXIYCZKCXOLFG-FQEVSTJZSA-N 564.240 6.760 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](Cc2ccccc2)([C@@H](Br)c2ccccc2)N1C(=O)c1ccc(Cl)cc1 963014783 JVUJNFHWLOUFCG-XNMCCTNNSA-N 613.939 7.547 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963031339 UAYSINTVAUNHAJ-SAFKIGCLSA-N 564.151 5.794 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCCCl)(c2ccc(F)c(Cl)c2)N1 963165598 VRUHJGRETSBDSR-UNVMMQEESA-N 654.613 8.022 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](c2ccc(OC)cc2)([C@@H](C)Cl)N1C(C)=O 963300859 IJWACPSXDGUYGW-VHOXQDOBSA-N 752.242 5.369 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cccc(-c3ncc(C(F)(F)F)cc3Cl)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795844 KKKGWSJTSJOROX-MGBGTMOVSA-N 712.950 7.825 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccc(C#N)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857548050 NUCRJBJAPXZISN-ZPRNHWBWSA-N 607.479 5.274 50 1 KKGF CC(C)CCN(C(=O)CCl)c1cc(C(=O)NCc2cccc(Br)c2)cc(C(F)(F)F)c1 1857650504 WADNETZYYWKSQO-UHFFFAOYSA-N 519.789 6.016 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@@H]1OC(C)=O 1857749687 VJSLAEHMOUSVLS-IGVZYMBNSA-N 506.756 5.563 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 2356369185 WAOKXHBQRKUUDK-FRZZDQFESA-N 892.153 7.923 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)CCC=C(C)CCCC(C)C 2356485799 SZTGJQWCAPKGOY-KMNMCYJVSA-N 630.907 6.154 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356780427 WIKMESULTZTLLA-KJWXAAKJSA-N 845.086 6.623 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1C1=CCN=C1 2356868531 XCXIXWSQIWZQKB-PBAKKBSUSA-N 882.046 5.977 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@H]1C1=CCN=C1 2356868532 XCXIXWSQIWZQKB-PZHGJYDASA-N 882.046 5.977 50 1 KKGF CC1=C(CC[C@@H]2[C@@](C)(O)CC[C@@H]3OC(C)(C)[C@@H](O)CC[C@]32C)[C@@H]2[C@H](C[C@H]1OO)[C@@](C)(O)CCC2(C)C 96888385 CXYXLYVALJRWSW-CAEUIZDWSA-N 508.740 5.634 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC(=C\c1ccc(Cl)c(Cl)c1)/C2=C(\C#N)C(N)=O 96916459 ZKOLBVJIHOHPCJ-YWLAYVDHSA-N 511.493 6.616 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299810173 LZFFIZKRGIXYGQ-GYPUNXIFSA-N 712.877 6.854 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(OO2)[C@H](C)CCC[C@H]1C 299847862 UMAJEIMJMARHQF-IQIDAHQHSA-N 662.861 7.077 50 1 KKGF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc1 586944288 JMKCPBLFJJBAKQ-UHFFFAOYSA-N 610.424 7.331 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2=O 587464405 PNLFJORGQZWYJO-LJQANCHMSA-N 511.256 6.638 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)c(Cl)cc12 587688305 KYZHLFVRDFTVQI-DDDOEAIBSA-N 562.266 6.178 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(c1cccs1)C(Br)Br 963200327 DEVVYSZJFHIJBA-SIKLNZKXSA-N 502.275 6.231 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C)([C@H](Cl)c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368759 UFCCCZHHWGLWKO-BEJSXWRTSA-N 586.059 7.075 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963548072 DJJLJZOENJJQLN-UNVMMQEESA-N 733.341 8.951 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCl)(c1cccc(C(F)(F)F)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963731925 RFWBQIDQKYORSG-PMERELPUSA-N 585.022 6.734 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2cc(C)n(-c3ccc(OC(F)F)cc3)c2C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948900 YZCGRRSMWASQGV-DUKMTNHXSA-N 773.368 7.315 50 1 KKGF CCOc1ccccc1-n1nncc1CN1C(=O)[C@@]2(C(C#N)=C(N)Oc3c2c2nc4ccccc4nc2c2ccccc32)c2ccccc21 1772628988 UOIPWVMYJUCOOH-KXQOOQHDSA-N 642.679 5.835 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356291880 BUHBBWIQTCVKFX-GVKZYBSLSA-N 673.857 5.831 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)CC2CCCCC2)[C@@H](Cc2ccccc2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356309210 MNYWYBWYNWXDNL-ITFVLITGSA-N 637.996 9.103 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C(=O)Cc2cccc4c2OC(=O)N[C@@H]4N)CC[C@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356349807 OLHDJKUWQGXYIS-PLZCXSMKSA-N 789.073 7.188 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1C[C@H]4CC[C@@H]6CCC[C@@]6(C4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356365706 QOJRDOLSEZLRIJ-DSEBVROTSA-N 940.374 8.386 50 1 KKGF CN[C@@H]1CSSC[C@H]2c3cc(O)ccc3[C@@]34[C@H]5[C@@H](CC[C@H]52)C[C@H]3CC[C@@]42[C@H](O)[C@H]1C[C@@H]1[C@@H]3C=C[C@H](O)[C@]4(O)O[C@H](C(=O)Oc5c(CO)[nH]c6ccc7cc8ccccc8cc7c56)[C@H](O[C@H]12)[C@]34O 2356770017 UGPOFNVSBFMNGC-XZQSMSPYSA-N 945.169 6.168 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@@H](O)SSCNC2=CC(=CCN2)C1 2356814146 BYFFVJJMDDCQHC-CFMHTIPQSA-N 594.799 5.745 50 1 KKGF O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@@]34O)ccc21 2356859486 SVDNOZRNUXLLFU-JEYSYHGBSA-N 890.069 6.556 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SS[C@H]3C=CC4=C(NCC=C4[C@@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356861222 UGQSJGPFVMNAPT-HZIJDGTFSA-N 907.212 7.914 50 1 KKGF COc1cccc(/N=N/C(=N\NC(=O)c2ccc(C)cc2)c2ccc(N(CCC#N)CCC#N)cc2C)c1 5582815 MRLHGUOKJHYMTQ-SJXRGTFUSA-N 507.598 5.821 50 1 KKGF CCO[P@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@@](=O)(F)OCC)cc(OC)c2O)c1 49881433 GWTHZRGNGFZEEC-XEVXBAQMSA-N 518.386 7.122 50 1 KKGF Clc1ccc2c(N3CCN(C4CCC5(CC4)OOC4(O5)C5CC6CC(C5)CC4C6)CC3)ccnc2c1 49881612 NCIXARRIKXHCMO-UHFFFAOYSA-N 510.078 5.780 50 1 KKGF C=CCCCC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1OC(=O)C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 72110881 KLLYYOSDSCIYMV-RDSFFDJVSA-N 566.732 5.186 50 1 KKGF N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933494 XHTNBKQCCJYWBK-DQEYMECFSA-N 520.936 5.767 50 1 KKGF CN(C)c1ccc(/C=N\c2ccc(SSc3ccc(/N=C/c4ccc(N(C)C)cc4)cc3)cc2)cc1 100892365 HKOMVPIVHSPJQP-MXEGIGMXSA-N 510.732 8.119 50 1 KKGF O=C(NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl)c1ccc(CO[C@@H]2C#CCCCCC2)cc1 150533674 NKKYIVUTQBQCOV-YLENAPDTSA-N 834.863 7.768 50 1 KKGF CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)C 586919853 JFWLRGJMMNRZAS-RKJZCWFRSA-N 840.731 11.706 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)c4ccc(CBr)cc4)[nH]c3cc21 586974464 WRNLEKRIHFPWPJ-HSZRJFAPSA-N 679.659 8.870 50 1 KKGF O=[N+]([O-])c1ccccc1-c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)o1 587265196 PQOIDLPBMGJTMA-UHFFFAOYSA-N 510.238 7.818 50 1 KKGF O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2OC(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)[C@H]1[C@@H](c1ccc(O)cc1)O3 587320034 NPRWIJNIQZICNH-ZBKKICJPSA-N 966.960 6.356 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CBr)c(-c3ccccc3)c2c1 587618127 MWWIWWZOFRYNQN-UHFFFAOYSA-N 516.373 5.447 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587689951 XXIDWLOXDUOTSW-ODCWNRFASA-N 505.859 6.411 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 587809770 JIHRVQQOBHKNET-GJDHRFPPSA-N 716.685 5.601 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(/C(C#N)=C2/NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 587853681 AVBZDEPJUVDINA-NIECFYMXSA-N 548.953 6.686 50 1 KKGF O=C(CN1c2ccccc2Sc2ccccc21)NNC(=Nc1ccccc1)SC[C@@]1(c2ccc(Cl)cc2)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962639731 LXROIIRPPXIQRA-SIELCNGYSA-N 793.462 9.675 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1cc(C(F)(F)F)ccc1Cl 963183912 CKMSHRBXNNVXCD-ZEQRLZLVSA-N 519.792 7.120 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@]2(C[C@H]3CC[C@]2(CS(=O)(=O)OC[C@@H]2O[C@@H]2CBr)C3(C)C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364522 FVGSYLCBFXYZOZ-NQYQHADSSA-N 780.734 6.271 50 1 KKGF COc1ccc(S(=O)(=O)Nc2cc3c(C(=O)NNc4ccc([N+](=O)[O-])cc4)c(C)n(S(=O)(=O)c4ccc(OC)cc4)c3c3ccccc23)cc1 1772609255 ABULLFQDIISIAQ-UHFFFAOYSA-N 715.766 5.823 50 1 KKGF C=C1CC[C@@H](Br)C(C)(C)[C@H]1CC[C@]1(C)[C@@H](Br)CC/C(=C\I)[C@H]1Cc1cc(Br)ccc1O 1857655854 OPVFBNNCNUNDHA-XBWJEXRMSA-N 729.173 9.732 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4cc(O)ccc4O)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4cc(O)ccc4O)cc23)cc1 1857751031 HLPRNUOZUUZAOM-DMMXZFMDSA-N 692.732 6.488 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@@H](Cc2ccc(OCO)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 2356292511 RJXYCWPVZBQKJO-CGZSOTRZSA-N 950.233 8.109 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2CSS[C@H]4O)C1=O)[C@@]65C 2356350000 SHOFSPKIXBNKOF-KBPYSBLASA-N 866.196 6.707 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C[C@H]6CC=C5C5(CCCC5)SSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 2356358167 XVQMVSBRAQDIII-QWIPPGNXSA-N 937.277 10.085 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](C(C)C)Cc2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2)N1 2356365137 GBJSZTWRNAFNKA-JWWFBFQESA-N 785.086 6.907 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CC[C@]5(CCCC56CCCC6)C4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356437651 ANLZXHMNNZCQLF-SUNLMTSSSA-N 897.125 6.736 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 2356487232 SZFINAONAOTLBP-UKJJDJLKSA-N 639.745 6.653 50 1 KKGF CCCCC[C@@H]1CC[C@H]([C@]2(C)CC[C@H](O)[C@@]34[C@H](O)CC[C@H](C)C[C@H](Cc5ccccc5)CSSC[C@@H]5CCCC[C@@]56CC#C[C@@](C)(C[C@@H](OC6=O)[C@H]23)[C@]4(O)CCC2=CC(=O)OC2)C1 2356581678 FRRKRZJAVKCRNO-JIISPEOYSA-N 903.345 11.068 50 1 KKGF C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356718398 UZCLBOARVRMPFZ-WOTDERTBSA-N 908.243 11.064 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2O)C1 2356775010 HGXQCQDANOJDPX-YRKZJFEMSA-N 813.140 7.832 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@H]1O2)C5)CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356826033 HVKHMRBPJZZLCO-AUHACJTLSA-N 992.273 9.413 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@@H]1CO 2356867493 WSGMSXWFGNMVNE-BGDOMQSXSA-N 748.020 6.568 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)C[C@H]5CC[C@H]4C[C@@H](C5)[C@H]3O)C=C12 2356870531 XSLCOXYOXHOVIO-PIEKIDEJSA-N 856.208 6.971 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccc(OC)cc4o3)ccc2[nH]1 29231407 UEUBOLJCIBTLOE-MRXNPFEDSA-N 681.023 7.150 50 1 KKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccc(C(F)(F)F)cc1)OO2 64447388 SCFMGNAYGJFNKP-ZWKHSQGSSA-N 519.563 8.328 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@@H]1C=C[C@@H]1SSC[C@H]3CCC[C@H](C3)Oc3cc(ccc3O)C[C@@H]12 85597209 HVPQVVHCBIQMRP-ZWWGEXTKSA-N 705.895 7.328 50 1 KKGF biogenic,in-vitro C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@@H]4O[C@@]2(C)CO[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 103188942 RPVOJEKMAVTVFM-VADSQDCGSA-N 550.689 5.216 50 1 KKGF Cc1cc(-c2ccc(OC(F)(F)C(Cl)Cl)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103204370 RRWZZRPDBDOOMA-UHFFFAOYSA-N 532.802 7.754 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(\C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C\C=C\C1=O)[S@](=O)SC(=O)[C@]2(C)O 150609727 JFEMHRLBYMSHKB-LITYVQTOSA-N 749.074 8.409 50 1 KKGF C/C=C/C=C/C[C@@H](C[C@@H](CCCCCCc1cc(O)cc(O)c1)SS[C@H](CCCCCCc1cc(O)cc(O)c1)C[C@@H](C/C=C/C=C/C)OS(=O)(=O)O)OS(=O)(=O)O 166549094 CXWSWAOHTLBFGD-QIVJVHKBSA-N 887.214 10.515 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](O[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169357278 DFPBBOCDGYBNBR-MUMZEMAWSA-N 550.689 5.419 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5C(=O)[C@@]4(OOC)C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)[C@@H]3C 238758890 OJCULXPBULGKQQ-JTEPHFANSA-N 917.245 13.654 50 1 KKGF O=C(N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)[C@H](CSSC[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)OCc1ccccc1)Cc1ccccc1 299811685 PSWMWFZRKCACRI-JRTLPCBOSA-N 865.130 9.027 50 1 KKGF COc1cccc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)c2)c1 587051355 CDSYMPIKDIXRLU-UHFFFAOYSA-N 539.751 8.979 50 1 KKGF Cc1c(Br)ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c12 587056823 RYFPPILRTWRIDC-YBEGLDIGSA-N 500.227 7.412 50 1 KKGF Fc1ccc(F)c(SCc2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 587141618 XJSLPUALIKFVAT-UHFFFAOYSA-N 557.354 9.220 50 1 KKGF O=S(=O)(Nc1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl)c1ccc(F)cc1 587170740 HSDTVDUCVVXFOR-UHFFFAOYSA-N 606.795 8.243 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 587712747 QLZXGUOLIRQJTJ-HUTHGQBESA-N 560.021 6.542 50 1 KKGF CCCC[C@H](C)[C@H](OC(=O)C[C@H](CC(=O)O)C(=O)O)[C@H](C[C@H](C)CCCCCC[C@H](O)C[C@H](O)[C@@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 587940794 PNMFUPMWQPNOOK-VPICXTQMSA-N 813.386 5.216 50 1 KKGF CC(C)(C)[Si](C)(C)OCc1cc2ncc([C@H]3c4ccncc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)cc2o1 962411205 ZQIGWAMQFFBZER-OQBISYOISA-N 661.831 8.094 50 1 KKGF O=C([C@@H]1Cc2ccccc2[C@@H](c2cc(S(F)(F)(F)(F)F)ccc2Br)N1)C(F)(F)F 962772224 VQAXRGXTTKGMAK-GJZGRUSLSA-N 510.244 6.842 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)([C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)N(C(=O)c1ccccc1N)CC2 963160614 SDZNVAKYZPNKBD-SHUZPENHSA-N 614.142 5.956 50 1 KKGF Cc1cc(Cl)ccc1OCC(=O)NN=C1C(=O)c2ccccc2[C@@]12c1c(C)cccc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963903665 DAQOLDJNTZNMKU-GRMGDBHTSA-N 632.113 5.584 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937151 CQZXAIYNUVETNK-YKJIPLJSSA-N 920.584 8.239 50 1 KKGF CCC(CC)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)NC)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938322 LVVFIECJXATOHS-HJHXAGFFSA-N 608.270 5.694 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCN(Cc3ccc4ccccc4c3)CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857591111 NRPOTFGRLZJVFU-VECLREOUSA-N 742.014 7.065 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)COC(=O)/C=C/c5ccccc5)CC[C@]43C)[C@@H]12 1857774038 SSQKKFMQMZNXDI-OMTXSFHQSA-N 655.876 7.942 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@H]4SS[C@H]5C[C@H]6CC=C5CSSC[C@@]5(CO)c7c(c(OCCO)cc(c7[C@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@H]5CC6)c1O 2356351044 OMBSIJMQTQBVQC-BJLYAEAOSA-N 883.185 8.772 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@@](O)(CO)[C@H]1O 2356356649 MUZGNFSIISTFJM-REUOAMNNSA-N 964.297 5.497 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@@]13CC[C@@H](C[C@@H]1O)[C@@H](CC(=O)CC2)O[C@H]1N[C@@H](CCCO)[C@@H](CSSC3)C[C@H](CCO)c2cc(NCC(C)=O)c(CO)cc21 2356370900 DZIDHAUNYUWZSY-KMCMXZCMSA-N 993.345 8.802 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356709584 LCUTYJNSPXSBGY-PSEPKWPASA-N 713.141 12.644 50 1 KKGF COc1cc2c(cc1OCCCCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)NC(=O)[C@@H]1CCCN1C2=O 26269943 DXVMBHXEIBMDJN-DVECYGJZSA-N 592.092 5.419 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])o5)c5ccccc5c43)[nH]c2c(OC)c1OC 27633533 HMBFEBFHKMZSOE-FQEVSTJZSA-N 635.029 6.580 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C(C)(C)C)CC1)OO2 299821191 ZSWHWOUNGHFRGZ-OFPXBSADSA-N 690.915 7.857 50 1 KKGF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 586956256 CAZGEOBCAPPANQ-UHFFFAOYSA-N 531.528 6.647 50 1 KKGF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586958392 JIJRIBBUROLINI-OAHLLOKOSA-N 522.315 5.452 50 1 KKGF O=C(N[C@]1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCCc2ccccc21)OCC1c2ccccc2-c2ccccc21 587237380 VFUWIWRPXPUOFG-JGCGQSQUSA-N 611.636 9.339 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(C3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 587323550 RSIPYUJCLTWGBW-XCZPVHLTSA-N 509.415 7.228 50 1 KKGF COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccc1OC(F)F 587332343 SBRNRJDXSMPURE-QPPBQGQZSA-N 523.301 5.791 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)C)cc1 587689494 TWDWJBXHZZHFKN-AKJBCIBTSA-N 503.887 7.136 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C2/NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 587697262 SHHYBCKBEYTEKL-ZGGDJQJKSA-N 572.265 6.263 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 587721612 PVISXGKDLOHZIH-DDNLTXGXSA-N 503.078 5.456 50 1 KKGF COc1cc(OC)c([C@@]2(CBr)c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 962680628 RFOXLLFJYCICDJ-MUUNZHRXSA-N 624.450 6.085 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCCCCl)(c2cccc(I)c2)N1 962715776 PIVVVJRNUOVRHI-UYAOXDASSA-N 555.737 5.701 50 1 KKGF CC(C)(C)[Si](C)(C)OCC1=C[C@@]2(C(OCc3ccccc3)=C(C(=O)O)O1)c1[nH]c3ccccc3c1C[C@H](C(=O)O)N2C(=O)c1ccc(Cl)cc1 963007136 CAYBRVKQHAHBLU-KLFBTDGFSA-N 715.275 7.617 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)c(C)c1 963064991 HYOGHNSWIGGYPD-BOSRLCDASA-N 571.512 5.729 50 1 KKGF COc1ccc(C(=O)[C@@H](Cl)[C@]2(c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1OC 963071529 LQILSBOPVBICOY-GTJOTKLLSA-N 709.192 5.934 50 1 KKGF N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963096872 ODLCCSSIXAOFOK-WMMGCJGVSA-N 840.469 5.733 50 1 KKGF O=C(c1ccc(Br)cc1)[C@H](Cl)[C@]1(c2ccc(Br)cc2)NCCc2c(Cl)cc(Cl)cc21 963104177 HGTVXBBLYAZKCG-XZOQPEGZSA-N 588.554 7.398 50 1 KKGF COc1c(Br)ccc(Cl)c1[C@]1(CBr)c2c(F)cccc2C[C@@H]2CCCN21 963106867 OARRSAHIYCMBPF-RBZFPXEDSA-N 503.637 5.909 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)c4ccccc4CCN3[C@@H](C#N)c3ccccc3)ccc21 963188910 BJSKHIMTLQIIKS-NYDCQLBNSA-N 527.550 7.797 50 1 KKGF N[P@@](=O)(OCCCOc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl 1772617376 NSRXPGZCZVRKGV-UUWRZZSWSA-N 550.786 5.798 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(C(F)(F)F)cc4)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(C(F)(F)F)cc4)cc23)cc1 1857639138 KEAKFQPSPBTACW-UHFFFAOYSA-N 858.894 9.438 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356295041 XOIQKFSSUYRPGY-KMDZIHFASA-N 703.883 5.120 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c1O 2356368572 MMRDPMGFIUVCRP-ZWSHHFEBSA-N 724.938 7.981 50 1 KKGF CCC[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356369015 OQXLHAWXBPGHCG-HVPAUUQKSA-N 830.129 9.596 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356370862 DIKZZPQEULMLLJ-DHDJWXLZSA-N 844.191 5.578 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@@H](SSC4)[C@@H](C3)C[C@H]12 2356633375 VUUPOJPHCRSYIT-FYXOGOBTSA-N 750.215 12.857 50 1 KKGF CC(=O)O[C@@H]1CC(C)(C)[C@]2(C#CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C=C3C(C)(C)C[C@H](O)C[C@]3(C)O)O[C@@]2(C)C1 2356669180 PRMVHLYTIYMENC-AQIYWLSJSA-N 654.888 7.915 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@@H]2O)c1O 2356779018 JHANTRWCLZMOHY-YRMUVZJBSA-N 740.937 7.124 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356810556 AYRKPYUVSHQZIF-XVQHYJRASA-N 965.292 7.912 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356861933 UVFYIHRCVSYRRI-RDOQHGEVSA-N 975.243 6.012 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCNC7=CC(=CCN7)[C@@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356865330 WBJDMNHTJDKGAD-YKINBCLWSA-N 690.972 7.596 50 1 KKGF C[C@H](CCc1ccccc1)NC(=O)c1ccccc1SSc1ccccc1C(=O)N[C@H](C)CCc1ccccc1 29466901 XADJRNJADYWMBT-CLJLJLNGSA-N 568.808 7.988 50 1 KKGF O=C(CCNCCSSCCNCCC(=O)c1ccc(I)cc1)c1ccc(I)cc1 72115312 BSEASGCKFDRTQO-UHFFFAOYSA-N 668.404 5.302 50 1 KKGF C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CC/C=C(\C)CNCC 85544593 CHCKEAKMHNFOSD-QESFSQDKSA-N 642.966 6.098 50 1 KKGF biogenic,in-vitro C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(/C=O)C4CCCCC4)CC[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 103525705 UGSPJQXPMNTZJI-CXFFBSHFSA-N 590.845 6.942 50 1 KKGF biogenic,in-vitro Cc1ccc([P+](Cc2nc(C)c3c(c2C[P+](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)COC(C)(C)O3)(c2cccc(C)c2)c2cccc(C)c2)cc1 211591978 BAYQRAVOFZPFOQ-UHFFFAOYSA-N 814.003 10.874 50 1 KKGF CNC(=O)CCCSSC(C)(C)CCC(=O)N(C)[C@@H](C)C(=O)O[C@@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C\C=C\[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@]21C 238730516 MNGBJGFSOBSOSR-DLHRAKDYSA-N 911.581 5.981 50 1 KKGF investigational COc1cc(/C=N/NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)ccc1O 474607040 IIFFUUFQVVQDKB-VFLNYLIXSA-N 529.811 6.286 50 1 KKGF CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587231958 YETJJTRISDXXCS-UHFFFAOYSA-N 818.694 6.183 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)c1oc2ccccc2c1CBr 587537539 HGQLSAGFXGWUIV-SVEHJYQDSA-N 527.370 6.939 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)c(F)c2)N1 587724719 LKVFVDPORPBCCC-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF COc1ccc2c(c1)CC[C@H](Br)[C@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962411267 ZUUZKYXZSDQVDL-JSWXEYCZSA-N 625.519 6.304 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]2(C)[C@]1(O)C(=O)CCl)NCCc1cc(-c2ccccc2)ccc15 962672325 WMFLOCWNSQCPFG-PIDGLKPSSA-N 590.179 6.281 50 1 KKGF NC(=O)Nc1ccc([C@@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963085492 PUFBMCUEVLFBOT-PGSXYRMZSA-N 768.159 7.616 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]12C(C=O)=COc1c(CCl)cc(Br)cc12 963193130 KSMYAZCCPQHXNZ-VPUSJEBWSA-N 519.826 6.030 50 1 KKGF COc1ccc(Cl)c2c1CCN[C@@]21c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 963257634 LZPBMXQSWFWUPH-RUZDIDTESA-N 501.797 5.161 50 1 KKGF Cc1c(C(=O)CCl)c2ccccn2c1[C@]1(c2ccc(F)cc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833230 TWFVITBHKSKSAK-PGUFJCEWSA-N 578.087 7.306 50 1 KKGF O=[N+]([O-])c1ccccc1SSCCNCc1cccc(CNCCSSc2ccccc2[N+](=O)[O-])n1 1857552445 YJWZTFZJQQHQBO-UHFFFAOYSA-N 563.752 5.958 50 1 KKGF CC1=C(CO[Si](C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857561991 XYHDTZUJKLKWIA-OGCYSDDVSA-N 540.773 5.420 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CCC5(CCCC5)C4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356293371 MNTLZGHSJZCNEY-MZQSRLCTSA-N 843.033 5.566 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Br)Br)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356323025 FVWPSKYVDXFOTC-YTWFUBDDSA-N 828.680 11.360 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@@H](C)O)C2)Cc2cccc(c2)C1 2356358286 OCVUCDWWQUSGHM-IIYVFFTCSA-N 998.400 6.393 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@](C4)([C@@]36C)[C@]21O 2356360779 NYDLYIMZZWFMTA-UIIAEGGNSA-N 595.871 6.238 50 1 KKGF CC(C)Cc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356363723 OURSFHMMLGSNOJ-WMLXEGDOSA-N 684.025 6.041 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OCCC(C)C)c1O 2356499100 RPXLSRODNNMOTA-LLTLKCKMSA-N 726.954 7.522 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@@](C)(O)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C 2356660630 JUTMFHKUBGXKGY-SLXQPGMDSA-N 556.784 5.521 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@@]56CC[C@@]7(CCC[C@@H]7CC[C@@H]54)[C@@H]6O)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@@H]2O 2356736798 PRWOWJJUDYBGGL-KQPMVLGASA-N 998.311 5.964 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCC2)c1O 2356768364 NHWGUIGPJNQIPL-MIXOKDLBSA-N 694.912 7.885 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356816000 MRPYBWQVQHMPLO-QBOFVGCGSA-N 674.865 5.565 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3C=C[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356837284 LIZDSFBTCHMWMG-FNGPCBRZSA-N 931.323 8.701 50 1 KKGF COC(=O)C1=C(CCCCCCCCCCCCCCCCC2=C(C)C(=O)OC2=O)C(=O)OC(=O)C1 2356859157 SRQBLLXTNAEQLV-UHFFFAOYSA-N 504.620 5.571 50 1 KKGF C[C@]1(C(=O)OC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@@]2(C)c3cc(O)ccc3CC[C@H]12 38149324 CXSWMXMKWWOTPK-UALMOTBMSA-N 530.705 6.888 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)ON[C@H](C(=O)OC)c1ccccc1 38151780 YNPRNMQEBKCOCS-VRLZYTCYSA-N 593.717 5.320 50 1 KKGF COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1ccc(Cl)s1)C(=O)OC)NCCC(=O)c1ccc(Cl)s1 72115272 CPPVULXPGQWIQE-HOTGVXAUSA-N 641.686 5.386 50 1 KKGF COc1cc([N+](=O)[O-])ccc1COC(=O)Nc1ccc(COC(=O)Nc2cc3c(c4ccccc24)[C@@H](CCl)CN3C(=O)c2cc3cc(OC)c(OC)c(OC)c3[nH]2)cc1 95542045 SXKBULZQBLZEFT-SANMLTNESA-N 824.243 8.744 50 1 KKGF Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907845 ZVXPOQCHXGOFDG-HKBQPEDESA-N 587.630 7.426 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2c(Cl)cc(Cl)cc2Cl)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103294871 XRNVSIDUFMGUMR-UHFFFAOYSA-N 579.977 8.766 50 1 KKGF O=C1c2ccccc2C(=O)N1CC[P+](c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 138283556 ZWZHCNGAYHFVAM-UHFFFAOYSA-N 539.806 6.237 50 1 KKGF CCCC[C@@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)ON[C@@H](C(=O)OC)c2ccccc2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716321 IDQIOCPNARXHDX-PJWVHGTNSA-N 593.717 5.464 50 1 KKGF C=C(C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]1[C@@H](CC[C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O2)[C@@H](C)CC[C@H]1O 169962066 AMEKTZOFUFOJDQ-GZXILXGKSA-N 552.869 7.200 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299811871 BVRIJFRDMCDGFG-PEQAZUOESA-N 937.049 5.464 50 1 KKGF Cl[C@H](Cn1ncc2c(Nc3cccc(Br)c3)nc(SCCN3CCOCC3)nc21)c1ccccc1 299869059 TWWILBWAYDXBCM-JOCHJYFZSA-N 573.948 5.737 50 1 KKGF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC1 586954166 BVMOLFSSBMQKJG-UHFFFAOYSA-N 517.545 6.942 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587332650 SXUFTOOHNRHBHS-IRLDBZIGSA-N 529.711 6.853 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C(c1ccccc1)c1ccccc1 587544637 ORNXTIZGAPXPDI-BFGHFXMOSA-N 550.054 7.544 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1 587671504 SMLUESUVVJFZQB-PQRODAJWSA-N 517.236 6.012 50 1 KKGF COc1cc(Cl)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587673861 QXFJYSMUEVRDAR-GIGQVBGESA-N 507.625 5.432 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685394 PXDZRZROODBRFU-CFJRQAHESA-N 511.863 5.898 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587848374 IFLLDXAFWCWCJE-UDNBHOFDSA-N 560.491 7.204 50 1 KKGF CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587949118 OTSKTBJDIXWPPL-IVZHQMGZSA-N 581.445 9.267 50 1 KKGF COC(=O)C(C)(C)[C@@]1([C@@H](C)Br)N[C@H](C(=O)Nc2ccc3[nH]c4ccccc4c(=O)c3c2)Cc2ccccc21 963013352 IJSYZXYGQPNIRS-WBEOTMJBSA-N 576.491 5.012 50 1 KKGF O=CC1=C(Cl)[C@@H]([C@@H]2c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)CCC1 963044413 WKNAJUQFJJYJGE-JMEFODQWSA-N 578.011 6.758 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@H]1c1ccc(OCCCCBr)cc1 963151339 SXIWJOBNCDEEJK-ROUUACIJSA-N 511.438 5.033 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCl)(c2ccc(OC(F)(F)F)cc2)N1 963191106 YLDSGTGSOFBDOT-QUCCMNQESA-N 530.292 6.509 50 1 KKGF COc1cc2c(cc1OC)[C@@H](c1nccn1C[C@@H](C)O[Si](C)(C)C(C)(C)C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963779792 XDFPWNJOOFFOSR-PBBNMVCDSA-N 602.808 6.149 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5ccc(N(C)C)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 1772570640 YTWWHDIYFNOKTC-ANVALBBISA-N 600.804 6.039 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857553646 XQXFTYIHFUKZGT-MRXNPFEDSA-N 513.428 5.526 50 1 KKGF CC1=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857610541 AZCBMOTXHPLSAB-CYHAAORGSA-N 709.012 6.937 50 1 KKGF CCCCCCCC(=O)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)OC1=O 1857647679 WIKRFOQSPGHUMC-BDUTVMGPSA-N 633.266 6.465 50 1 KKGF C[C@@H]1CC[C@H]2C(CN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857652545 MFQHEQUEWDAVMV-VWDYGGEKSA-N 968.021 7.356 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911574898 KABLQVQLAZFYCO-SVEHJYQDSA-N 673.621 6.032 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356370263 OMELYABDBXQMBU-AEGHYNGXSA-N 833.174 8.663 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@]1(C)[C@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 2356408583 JTJHSEFMUWUYLU-MTROBDDWSA-N 584.389 7.114 50 1 KKGF CN[C@@H]1CC[C@@H]2C[C@]3(C[C@@H]21)C[C@H]1[C@H](C[C@H]2CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C2)[C@]1(C=CC[C@H](C)C1)C3 2356503635 ODKIZCHYXINMPW-WHCFMKGISA-N 685.100 9.818 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)C1(CC=C(C)C)CCCC1 2356524011 MVFYZWUUOBQWJM-ZAJDSOSNSA-N 583.854 5.730 50 1 KKGF CC(C)(Cl)[C@@H](Br)CC[C@@](C)(O)[C@H]1CC[C@@](C)([C@@H](O)CC[C@@H](O)[C@@]2(C)CC[C@@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)C2)C1 2356762670 MJHMIBYCWMSRPM-YNPPZQNQSA-N 737.526 8.725 50 1 KKGF CCCCC[C@@H]1CC[C@H]([C@]2(C)CC[C@H](O)[C@@]34[C@H](O)CC[C@H](C)C[C@H](Cc5ccccc5)CSSC[C@@H]5CC[C@H](Cc6ccccc6)C[C@@]56CC#C[C@@](C)(C[C@@H](OC6=O)[C@H]23)[C@@]4(O)CCC2=CC(=O)OC2)C1 2356776082 DCYWJYTWBKDUBN-YHNXQLFTSA-N 993.470 12.537 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@@H](Cc2ccccc2)SSC1 2356831392 JORSCINVPDIYHR-BDCHXYSSSA-N 604.838 6.701 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CCC7(CCCC7)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4CO)c1 2356841135 NFCFCKOCJHZDCC-MWUSQOOGSA-N 780.106 7.716 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H](Cc2ccccc2)SSC1 2356855038 QYQNXFWPLLNHTO-RBQYLLDRSA-N 578.800 5.996 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H](C2(N3C=CNC3)CCCC2)SSC1 2356865753 WMFGYVHIUNCMLD-YYUOWCQBSA-N 648.895 7.105 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(CSc2ccccc2)=N1 43260589 XYVNWHNRSXXPHK-GWVAFBSZSA-N 541.639 7.106 50 1 KKGF C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 44305149 RPBUJHDUJTXPIX-PGSZONDNSA-N 580.674 5.766 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1 72173216 XNYUUZRGLDUFAT-UHFFFAOYSA-N 547.849 7.094 50 1 KKGF CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]2(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(CC3=C[C@H]4[C@H](CC3)[C@](C)(OO)CC[C@@H]4C(C)C)C(=O)[C@]1(C(=O)C(C)C)C2=O 96900293 DXFWUAWSMRONLI-RXGFHJPUSA-N 773.152 12.390 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(C)s2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118932876 NSWSWPQSYVIFLJ-OUOVIOTHSA-N 593.569 6.217 50 1 KKGF N#CSc1ccc(C(=O)O)c(-c2c3cc(I)c(=O)c(I)c-3oc3c(I)c(O)c(I)cc23)c1 150591571 DBRDJSHBEBGPIC-UHFFFAOYSA-N 892.972 6.960 50 1 KKGF CCCCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 163630390 QKMQSQXGYXKHRJ-NBCSUJBTSA-N 735.444 8.982 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)c4nc5c(C)ccc6c5c(c4C[C@@H]32)-c2ccccc2C6=O)C1 586994855 BCNUUUSLVPIMAD-DSMTVGSYSA-N 657.592 8.078 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)(F)F)cc1 587333607 WPWQSBGTZRYPNG-IAPPQJPRSA-N 559.943 7.331 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541941 DUQRRXYDNQBGPZ-LEAFIULHSA-N 520.368 6.128 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587552490 AEUGHZHTHDBWSC-UEQAPTSCSA-N 691.192 7.239 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc2c(c1)OCO2 587687049 FHGQECXZWFCIKY-HWRSSNJWSA-N 519.842 5.800 50 1 KKGF CCOC(=O)/C(=C(/C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587690098 ZBRFFXQHIHPIGM-OAMCFTTFSA-N 525.846 5.514 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CBr)c1c(F)ccc(Cl)c1Br 961753674 YCBRTOMOJULGJY-XMMPIXPASA-N 588.743 7.031 50 1 KKGF COc1ccc2c(c1)[C@](CBr)(c1c(-c3ccc(Br)cc3)noc1C)N(C(C)C)CC2 962090546 LPDNNOXZEAZXPF-XMMPIXPASA-N 534.292 6.326 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)N(C)[C@@H](C)C2 962574335 UJZXCPBPZPIERQ-YTEVENLXSA-N 522.333 5.422 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCCl)(c2cccs2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963070015 BSXJMYBHPBYSDX-MMEOBGCCSA-N 730.175 8.577 50 1 KKGF CCN(CC)c1ccc2cc(C(=O)NCC(=O)O[C@@H]3CC[C@]4(C)[C@@H]5CC[C@]6(C)/C(=N/OCC(=O)Nc7ccc(C(C)C)cc7)CC[C@H]6[C@@]56C=C[C@]4(C3)OO6)c(=O)oc2c1 1772573665 DTGXVUCDXIENLO-SJILKXOVSA-N 808.973 7.441 50 1 KKGF O=C(CSSCC(=O)NCCCCNc1c(Cl)cc(Cl)c2cccnc12)NCCCCNc1c(Cl)cc(Cl)c2cccnc12 1772575640 LDCSSDJJNXTKRT-UHFFFAOYSA-N 714.572 8.095 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4cc(F)cc(F)c4)cc3)c3c(N)ncnc32)C1 1772588146 SWIRSNSMOPSSRJ-DAMVKRJQSA-N 541.562 5.169 50 1 KKGF O=C(CSc1nnc(Nc2ccccc2)s1)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 1772648630 HSUSGNHXWPKNKW-FSJBWODESA-N 514.430 5.547 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@@]78CCC[C@@H]7C=C[C@@H](C8)C67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@H]41 2356414357 JPMCNBDTTGKXAV-FKNPWDKFSA-N 972.372 7.033 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356734390 KXANWWIOPIKGQM-NDWIRGBUSA-N 743.042 5.581 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O)[C@@H]2O)COCC#CCC(CCCc2ccccc2)=CCC1 2356765236 DNNNDNDFROEAQG-SLXDWALCSA-N 626.878 7.385 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)CCCC(C)C 2356772982 NNKZUSAFPLLGKI-OSWUWPNASA-N 599.897 6.366 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)CSSC[C@H]1C1=CCN=C1 2356833138 IETYKMWTDMBRKM-CSLKCKJJSA-N 597.799 7.386 50 1 KKGF COC(=O)[C@@]12CC(=O)[C@@H](C(C)C)CC(=O)[C@@H](C)CCC[C@@H](C)CC(=O)[C@@H]1CC(C)=C1[C@H](O)C[C@@](C)(O)[C@@H](Cl)CC[C@@]3(C)O[C@@H]3CC/C(C)=C/[C@H]12 49776233 JLHAOQMKTFIUTM-YXCJBUJZSA-N 719.400 7.492 50 1 KKGF CC(=O)[C@@]1(C(=O)Nc2ccccc2)[C@@H](Cl)C(=O)N1N(c1c(O)ccc2c(P(Cl)Cl)pc(-c3ccccc3)n12)[N+](=O)[O-] 49933021 MUEYPBLEVLUFOA-DFBJGRDBSA-N 652.755 5.636 50 1 KKGF COc1cccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)c1 72173114 YLUHGQCPAGZNNI-UHFFFAOYSA-N 525.440 6.310 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H](CSS[C@@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 85567769 MWUBNNGZDVAADV-UCDCIHEWSA-N 650.815 7.224 50 1 KKGF biogenic,in-vitro COc1cc2c3c(c1OC)OOc1cccc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3NCC2)NCC4 95486198 SBIUDDYYVPETIH-IZZNHLLZSA-N 566.654 5.747 50 1 KKGF biogenic,in-vitro COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](I)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl 95537879 OTKDTYLPRBBZFX-OFWIHYRESA-N 783.100 5.131 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@H]3CCl 95551347 OIJQNOUPXVOYPM-RPBOFIJWSA-N 777.746 9.088 50 1 KKGF Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907852 NASHELNRHQLCBT-WJOKGBTCSA-N 619.647 8.167 50 1 KKGF CCCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](O)[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 169371287 ACRMTHSZHIGDGF-PSDSRGRESA-N 655.380 9.155 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)[C@@H]2CCCNC2)C1 169851867 CCSNJCXSNTXCPB-LGZRMESASA-N 517.915 7.786 50 1 KKGF 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@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12OC[C@H](C)C[C@H]2C(Cl)Cl 255222026 JXWFIBCMYNNVHU-RDGXNZOLSA-N 513.546 5.715 50 1 KKGF FC(F)(F)Oc1cccc(CSCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587121568 COPKFJUXGHZMMY-UHFFFAOYSA-N 543.299 8.315 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)CCCC2 587376307 WMOFSFCVWSLCAK-JTSJOTPCSA-N 562.062 6.952 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c([N+](=O)[O-])cc(S(=O)(=O)Nc3ccccc3OC)cc12 587621297 SIUHWHQHQLQZKG-CJWLKPTISA-N 828.312 6.795 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Br)cc1 587684367 WCAHVDVDMNUCLI-ZLOXQWCVSA-N 540.702 6.775 50 1 KKGF Cc1ccc(C(=O)NN=C(NS(=O)(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)N2CCCC2)cc1 914431328 FPHDAMLVFFWTQL-UHFFFAOYSA-N 602.664 5.003 50 1 KKGF COc1ccc(-n2c(C)cc([C@@]3(CCl)NC4(CC4)Cc4ccc(Br)cc43)c2C)cc1OC 961617769 WAKYZGMMBNUGGU-AREMUKBSSA-N 515.879 6.035 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CCl)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 963140261 JLNPFSNBDAONHK-NBGIEHNGSA-N 530.002 5.447 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)([C@@H](C#N)c1nc(-c3cccs3)cs1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809864 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COc1ccc(-c2nc(SCC(=O)N/N=C/c3ccc(N(C)C)cc3)[nH]c2-c2ccc(OC)cc2)cc1 12947043 CLVPHTPTGBEWAB-STBIYBPSSA-N 515.639 5.069 50 1 KKGF CC1=C[C@H](O)CC(C)(C)[C@H]1CC/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C 86052712 FJWGLEVADWWUFR-NJTXIUSISA-N 584.885 9.806 50 1 KKGF O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 95539240 ACUFDVOLVXEBHR-CLENRGCSSA-N 764.928 9.279 50 1 KKGF C/C=C(\C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C(\C=O)[C@]3(O)C[C@H](O)C(C)=C[C@H]3C(=O)O1)O2 138234922 CHCOJVIDIGKSLY-VGZCZQOKSA-N 568.751 5.671 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Br)C[C@@H]2[C@@]5(C)CC/C(=N\OC(=O)/C=C6/SC(=O)NC6=O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 169306032 LAPUCWPKWZCJAA-KSJORHSVSA-N 703.740 7.687 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)OCCCCCCBr)CC[C@]3(C)CC[C@]21C 169350673 IXPQOVLMLPXTNL-KNPCULJYSA-N 633.752 8.827 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1C[C@H](C)C[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@]2(C)C[C@@H]2C[C@@]1(C)[C@@H](O)O2 195413329 GGPRBEMISXXRHE-VFRYZQIESA-N 538.962 7.973 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)O[C@@H]5CC[C@]6(C)C[C@H]7C=C[C@@]6(OO7)C5(C)C)CC[C@]4(C)[C@H]3CC[C@]21C 253635084 ROBCWKFPUJQMPN-RSIXEOAISA-N 636.958 10.774 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc(CCNC(=O)CBr)[nH]c21 586971375 RJWRPXAEXVIRBL-UHFFFAOYSA-N 646.586 5.877 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320975 HTYLQPOZLVILOP-VKCVVMHYSA-N 520.192 6.332 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc([N+](=O)[O-])ccc12 587646218 XKSOWKLYYAJLJX-TYPAUQCASA-N 643.108 5.986 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 587676466 DSUHRAZGEBCATO-JCQPUDPBSA-N 570.684 5.625 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(-c3ccccc3)cc2)(c2ccccc2C(=O)Cl)N1 587678817 DDVBWNFOZJYYBX-YRVHBCJASA-N 534.856 7.460 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 587686261 CCUZPTBSVSJTLP-NTQRDKFWSA-N 610.565 8.470 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@]5(N[C@H](C)Cc6ccc(F)c(Br)c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 587739468 HCNQSOQBOUTIIL-LRXVQKQKSA-N 719.780 9.141 50 1 KKGF C=CCS/C(NC)=C(/C#N)[C@@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963133351 BHPGTIZEGUOXMU-OCJISXJISA-N 708.888 7.053 50 1 KKGF CN(C=O)c1ccc([C@@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963229193 HJLNEHQHNNZTGU-GVYVVWIYSA-N 687.061 5.544 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2sccc2Cl)N1C(=O)c1ccccc1 963415306 LHCJJNZXDHTKRX-YADARESESA-N 529.843 5.673 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CCCCCCl)c3ccccc3I)nc(Cl)nc21 963927543 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C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356351694 DGSLGZTYHZNLGJ-JCMDGGIOSA-N 962.377 7.080 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@H](CCc1ccccc1)CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@@H](C3)[C@H](O)O4)CC[C@H](O)CC(=O)CC2 2356371365 YHLDDUXULOWRDZ-HNLQTWOYSA-N 867.147 5.916 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]21O)[C@@]3(C)[C@]12C[C@@H]4CC[C@@H]1[C@@H]1CSS[C@H]3CCC[C@@H](O)[C@H]3Nc3cccc(c3)C[C@H]1C2 2356447410 RHYBHVMADOEPMX-GKOYJADYSA-N 623.925 6.851 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356458266 JIJVGMZIRXFNTK-FTPXHICUSA-N 885.240 7.213 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12CC[C@H](C(=CC=CC(C)=CCC=C(C)C)COC(C)=O)[C@H]2O 2356611143 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C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356871467 YBIDUQUOSTVSPA-KVAGQMSYSA-N 559.918 5.583 50 1 KKGF CCN(CCCl)c1cc(CN(C)C)cc(NC(=O)c2ccc(C(=O)Nc3cccc(CN(C)C)c3)cc2)c1 5742255 ORAYOBBVKQQFOX-UHFFFAOYSA-N 536.120 5.380 50 1 KKGF Cc1ccccc1[C@H](NC(=O)c1ccc(C#N)cc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1C 37858483 BFPDTPAHEKIKHN-AQOUDTPCSA-N 654.767 6.811 50 1 KKGF CCCCCCCCCCCCCCCCCCOc1ccc(/C=C/C2=[N+](CCCl)CCO2)cc1 73241033 JSYUIMLJTJGWOS-BSYVCWPDSA-N 505.207 9.020 50 1 KKGF C=C1CC[C@H](Cl)C(C)(C)[C@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 83924190 XBOGIWAZQGMLND-LEFJKEGYSA-N 515.861 5.989 50 1 KKGF in-vitro C=C1CC[C@H](Br)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 83924493 PVEFIGXLPBGZAX-RPXJGHMWSA-N 560.312 6.146 50 1 KKGF in-vitro Fc1ccc(C(O[C@@H]2C[C@@H]3CC[C@H](C2)N3CCCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 100900591 NDQHYTPBWHOLRM-BKHFGAQXSA-N 518.673 7.823 50 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573.659 5.070 50 1 KKGF C[C@@H]1CN([C@H](C)CO[Si](C)(C)C(C)(C)C)C(=O)c2cc(NC(=O)C3CCCCC3)ccc2O[C@H]1CN(C)C(=O)c1ccc(Cl)cc1 199959124 QYVQBRFDXPCDST-VJQVOXFUSA-N 670.367 7.881 50 1 KKGF CCCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253686088 JECQBHPHBSTJDJ-UBZXNZIMSA-N 591.528 6.220 50 1 KKGF O=C1N(Cc2cccc(CO)c2)[C@H](Cc2ccccc2)[C@H](O)[C@H]([C@@H](Br)Cc2ccccc2)N1Cc1cccc(CO)c1 299848444 YZNMWSWYDOVEJX-HWFRFQLBSA-N 629.595 5.456 50 1 KKGF O=C1c2ccc(O)cc2OC2([C@@H]1c1ccc(F)cc1)C(CCl)(CCl)CCC2(CCl)CCl 587326337 KZROEVMAGLPFDE-LJQANCHMSA-N 506.228 6.351 50 1 KKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326582 LYFGTYCUHYCFGC-YUJJRVTMSA-N 531.023 7.597 50 1 KKGF CCCC(=O)O[C@]1([C@@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587506169 MRKHTRDXYSZLLJ-JELVAIQASA-N 651.215 7.415 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(F)cc2)([C@@H](Cl)C(=O)c2ccc(F)cc2)N1 587729445 GZLYNNZCNGXZFO-AMIRBURQSA-N 508.765 6.135 50 1 KKGF C[C@@H](Cl)C(=O)Nc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878556 JZWUAKPTUYOZTQ-GFCCVEGCSA-N 502.623 5.032 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962408153 VTZLQSYGJFRZJM-BPSNQUDBSA-N 662.378 7.132 50 1 KKGF COc1nc(O)c([C@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c3ccsc3CCN2Cc2cccnc2)c(O)c1OC 962993503 BZLAZCKXGAUQRK-RCTYEIDOSA-N 566.551 5.777 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(/C=C/C(=O)c4cccc(O)c4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772610242 MHESNDAWNZUIPF-RDCVRMOHSA-N 550.648 5.892 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C=C(C#N)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)n2ccnc2)CC[C@H]1C 1857656863 SSQSLXMEGDQWIB-NDOWAWOTSA-N 527.753 7.420 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)/C=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncccc2c1 1857747688 JWJAMUZTQXZEIT-WAVCKPEOSA-N 583.533 5.905 50 1 KKGF COc1cccc(NC(=S)NNC(=O)c2ccc3[nH]cc(C(c4ccc(C)cc4)c4c[nH]c5ccc(C(=O)NNC(=S)Nc6cccc(OC)c6)cc45)c3c2)c1 1857753199 MQBGVUOPVFLHJA-UHFFFAOYSA-N 782.952 7.418 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@H]1c1ccc(Cl)cc1 1857765282 AHKIBCOANMDZAQ-WDDDNYEUSA-N 581.109 6.624 50 1 KKGF CC1=C[C@@H]2C(=O)c3cccc4c3C(=O)[C@@]2(CSS[C@H]2Nc3nccc5c3-c3c2cccc3[C@@H]2CCC[C@]52C[C@]2(O)[C@H](O)[C@H](O4)O[C@H](CO)[C@H]2O)C(O)=C1 2356300636 OEDNCWDGHRFWBI-LJBKRXCPSA-N 754.883 5.109 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@H](CCNC)Cc2cccc(c2)C1 2356349781 NZLFICIELOCPBF-CMNJPSPWSA-N 742.058 5.154 50 1 KKGF C[C@H]1CSS[C@@H]2C=C[C@]3([C@@]4(C)C=CC[C@@H](C)C4)C[C@@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)C3 2356350853 KXDOYOLATPZWGK-XBKWJHAWSA-N 559.885 8.732 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)C1(CC=C(C)CNCC)CCCC1 2356351758 FNTNGYWKQSXXRR-QUQYIXMUSA-N 650.945 5.342 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)CNCC 2356352840 CHCKEAKMHNFOSD-OKHMNGEBSA-N 642.966 6.098 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC6(CCCC6)[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356353964 DWJGXFVZYVXAKJ-FQUJOQALSA-N 901.329 10.822 50 1 KKGF CCCCC[C@@H]1C[C@]2(CC[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OCO)c3)[C@H](O)C[C@H](OCO)CC4)C2)C[C@H]1NC[C@H](C)O 2356360250 BHAMFRRLKWMUDE-KFKWTGPXSA-N 868.165 5.739 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)[C@@H]2CCC[C@@](C)(O)[C@H]2O3)O1 2356371374 YITVPYFPTNOIAE-WVJJLSPISA-N 597.664 5.655 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356395514 QWGCJUCPEHGEJR-HYJWEMATSA-N 793.017 6.794 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=C[C@H]3C=C[C@@]4(CCC[C@@H]5[C@H](O)C[C@@H]6CCC[C@@H]6CSSC[C@@H]3N54)[C@@H]2[C@@H]1C 2356404658 TZMJIDYEPWGRRX-KQEJWNJKSA-N 557.778 5.565 50 1 KKGF CC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356440086 MXAWBPGQJSLERK-PZMYXVABSA-N 558.800 7.753 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 2356486145 GTYAYTGQTNZBGS-RWIUVVJRSA-N 698.243 7.736 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCCC[C@@H]2CNC)Cc2cccc(c2)C12CCCC2 2356715713 PIXSGLHIOYCJGE-LJEUPMPBSA-N 996.428 7.624 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@@H](SSC4)[C@@H](C3)C[C@H]12 2356721509 HAYPXTXDDKEWNC-MJJKEJSESA-N 726.149 10.905 50 1 KKGF CC(=CC=CC=C[C@@H]1C(C)=C[C@H]2[C@H](CC[C@@H](C)[C@H]2O)[C@@H]2C(=O)OC(=O)C(C)=C3C[C@H](O)[C@H](C)C3=C21)C[C@H](C)C[C@H](O)[C@H](C)C(=O)O 2356737433 RPAJEXJBXAMICD-QPLAOJMISA-N 636.826 5.856 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1C1=CCN=C1 2356809375 AQIYRFYTWHTRFI-KOUIJLHQSA-N 901.093 5.086 50 1 KKGF COc1cc2c(cc1OCCCC(=O)N1C[C@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O 26264868 RLIOMPPDIFYGQG-OALUTQOASA-N 548.039 5.403 50 1 KKGF CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1c(CBr)nc2ccccc2c1-c1ccccc1 28758019 HGLYAHAZJGCWKJ-UHFFFAOYSA-N 581.354 8.107 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 43649842 UVSRXUYQBDAGKD-XVBJYKFMSA-N 555.951 6.584 50 1 KKGF COc1cccc(-c2cc(NC(=O)NNc3ccc(N(CCCl)CCCl)cc3)c3cc4c(cc3n2)OCO4)c1 49762516 FZACNZRPQKOAGV-UHFFFAOYSA-N 568.461 6.072 50 1 KKGF O=C(Cc1ccc(OCCCBr)cc1)c1c(O)cc(OCCCBr)cc1OCCCBr 71280572 OXXNKZOWRVTICZ-UHFFFAOYSA-N 623.176 6.309 50 1 KKGF CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc(c3)NCSS[C@@H](O)[C@H](C)C/C=C/4OC5=O)[C@@H]21 85571178 YFRPANFFQCYOOR-VKDQPWINSA-N 592.783 6.444 50 1 KKGF biogenic,in-vitro Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CCC4)cc2c1 96907842 ICLYSTRYNAQSHC-SSEXGKCCSA-N 559.576 6.790 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@@H](CCC(=O)O)c3ccc(Br)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101184382 JTXHATPLRKWRIJ-QGHPIZDLSA-N 525.436 5.580 50 1 KKGF CCOP(=O)(OCC)OCc1ccc(S(=O)(=O)CC(C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 169289467 ZBZPETYTWDNJPN-LJYLPDEMSA-N 893.130 9.972 50 1 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552.092 6.149 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@]1(OC(=O)CC)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C)CC2=O 587464821 ALIQJYPTAPGBDW-ZKFDJAFDSA-N 643.192 6.596 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 587672254 YQXHXBCOOMVURM-NCDWJDPGSA-N 550.060 5.367 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 587687290 ZPKMIZJOAOPXSB-RZFZLAGVSA-N 567.242 6.153 50 1 KKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587709890 CWBMNVRMGKHJIU-XUSGNXJCSA-N 531.438 6.846 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(F)c(Cl)c1 587719738 QNYGOZQOXYZOBB-DAOPMYJZSA-N 514.241 6.805 50 1 KKGF COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)CC1 653776587 YOJSYGUFZVUBDT-MCSFVTILSA-N 604.744 5.644 50 1 KKGF CCS(=O)(=O)N1CCc2cc([C@@]3(CCl)c4c(ccc(OC)c4OC)CCN3C(=O)c3ccc(C(F)(F)F)cc3)ccc21 962673981 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CC1=C(CCCCOC(=O)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C(=O)C(C(C)C)=CC1=O 1857631463 PNOWHKLCNFNCKE-MKCUXZIUSA-N 544.685 5.391 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@@H](O)SSCNc3cc(ccn3)C2)CCCC1 2356301280 TYAJKXMJIPCFRG-KPUXBLLKSA-N 646.875 7.614 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)C5(CCCCC5)SSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356308192 XXGRTYDCFJVJGI-PSUXHBTPSA-N 736.949 8.199 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@H]43 2356312933 NVMJHAZFNIUGRB-AHQYEZJPSA-N 913.172 5.789 50 1 KKGF CCCCCCCC(Cl)(Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1 2356334713 LWFZKXMCJDHBNJ-RBUHJZQESA-N 696.237 9.528 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56C=C[C@](O)(CO)C[C@]5(CCC6)CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356352301 QWYWGHFWVFZVAH-OFJRVZOTSA-N 994.289 8.384 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@]4([C@@]36C)[C@]21O 2356353501 PTVIWOACYRHCGM-AWOOCIOBSA-N 621.909 6.771 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(C)O)C1(CC=C(C)C)CCCC1 2356369715 YWMBPTVJKPWBEE-LQTOAQHUSA-N 564.807 6.162 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356415673 SAUYSCRSSSRBBY-MROZYHTESA-N 801.122 5.988 50 1 KKGF CC(C)=CC[C@H](CCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=C[C@@H]([C@H]1CC(C)(C)OO1)C(C)(C)O)C(C)(C)O 2356514738 LTZKXZZQHUUMDI-WAFODNFBSA-N 739.138 13.411 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)C1(CC=C(C)C)CCCC1 2356515749 XZYMMLQWYKZGCV-RCABLKMBSA-N 540.785 6.140 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@H](C2CCCCC2)Cc2cccc(c2)C1 2356563913 DUEACDWPNQVCIJ-PXUPTWSVSA-N 743.086 7.103 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H]3NCC[C@](Cc4ccccc4)(SSC1)C3=C2 2356837357 LJOADYKEOBTNEM-RCQIRJCASA-N 604.838 6.401 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C[C@@H](O)CC[C@@H]3[C@H]1OC4=O 2356857528 SJQOMPPNEYCREA-KIAYSULCSA-N 836.993 5.673 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)O[C@H](C(N)=O)C(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1C1=CCN=C1 2356859549 SVWBMFWKXUKIOH-RUKDYDRPSA-N 897.061 5.262 50 1 KKGF O=C(Nc1ccc2ccccc2c1)[C@@H]1C[C@@H]1[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8019087 JTUINJHDTNXECT-QAXCHELISA-N 516.581 6.674 50 1 KKGF aggregator CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CCCCC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(=O)NCCN(C)C)[C@@]12C 49947008 GDAUEUJBAFEVSB-LAPAELILSA-N 632.883 6.548 50 1 KKGF C[C@]12CCSSC[C@@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H]1CC=C[C@H](C4=O)[C@@]512)N=C(N)NC[C@H]3Cc1ccccc1 85549384 JQOMZMIUZQBJNR-IEIMXXBOSA-N 577.860 5.554 50 1 KKGF biogenic,in-vitro C=C1Cc2c(O)cc3c(c2O)C(=O)[C@@]2(Cl)C[C@@H](Cl)C(C)(C)O[C@@]2(C/C=C(\C)CC[C@@H]1Cl)C3=O 85551889 TUASWIIAAPWHMO-GCPWPVPHSA-N 513.845 5.836 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)cc(OC)c1O 85567732 WTTMGKRANVEFIH-LKOPISFSSA-N 696.884 6.638 50 1 KKGF biogenic,in-vitro CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1ccc(O)cc1)C(=O)Nc1ccc(C)cc1-2 101051567 RBOSNQFLLDWGNU-OZMIJRPQSA-N 523.253 6.575 50 1 KKGF CSc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@@H](OCCCl)C(Cl)(Cl)Cl 103217717 ZVRJKIRRSDFDHY-AWEZNQCLSA-N 577.070 7.155 50 1 KKGF CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195098660 XJBKXOLSLAAECX-UHFFFAOYSA-N 563.811 6.204 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2ccc(Br)o2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 299810368 UXDUVXYQKPADPT-DAXWEALWSA-N 642.370 6.203 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3nccnc3I)nc2c1 587186897 YNSXOJPDLBVTHJ-UHFFFAOYSA-N 527.054 6.044 50 1 KKGF CN(C(=O)OCc1ccccc1)[C@@H](Cc1ccc(OC(C)(C)C)cc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587199743 MPVCKKUKFGNIBR-VWLOTQADSA-N 583.623 8.950 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c(C)n1C(c1ccccc1)c1ccccc1 587283368 FGLUMTOQJHPUNY-AGQXGPGGSA-N 754.232 5.086 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(OCc3ccccc3)c2)[C@@H]1c1ccc(F)cc1 587324126 WCPXASKPRZWTNT-PXJZQJOASA-N 533.393 6.760 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(-c2sccc2Br)cc1 587610630 DAVCULIZEPAYOV-PXDATVDWSA-N 572.274 7.135 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587683280 GHOVUSSFHRXEMJ-FPSRAPMFSA-N 716.092 5.741 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2scc(Br)c2Br)N1 587841300 ALGLUQXOHHRBLN-NZFNHWASSA-N 576.949 6.347 50 1 KKGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)/C=C/c1ccc(Br)cc1)[C@@H](C)[C@H](OC(=O)/C=C/c1ccc(Br)cc1)O[C@@H]4O3 653694177 DQTCMZOUJYUTFM-IXTYISBNSA-N 718.435 7.211 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](c1ccccc1)([C@H](Br)c1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962638238 SKBZHHYJKGFNGY-MWSYKCOMSA-N 564.476 6.515 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCCl)(c1ccc(Br)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676266 HODTZDZJHJUZAV-NDEPHWFRSA-N 610.898 7.836 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)([C@H]1CCCN1C(=O)OC(C)(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677632 QSZYSEBUFPBICN-SKCUWOTOSA-N 583.047 6.255 50 1 KKGF CCC(=O)OC[C@@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)c2ccsc2CCN1Cc1ccco1 962709074 QWUCSGSCRJFFDM-XQYMNFKVSA-N 714.296 6.686 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(N3CCCCC3)cc1)N(C(=O)c1ccccc1N)CC2 963158790 SLQYNCICBTVZID-PMERELPUSA-N 564.524 5.613 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C)([C@H](Br)[C@H](Br)c2ccc(Cl)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963354668 XVCLAJMTVUVDJT-TUHHXPBESA-N 739.888 8.509 50 1 KKGF COc1ccc(C(=O)/C=C/c2ccc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)cc1Cl 1772582900 ZNDXIDMIPPAPEO-JSVSHECXSA-N 599.120 6.848 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OCCOCCOCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857536203 PPCQWVFGIHBRBH-XWRKYFJKSA-N 876.192 11.146 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCCC(=O)N[C@H](C(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)C(C)(C)C)ccc1OCc1ccc(C(F)(F)F)cc1C(F)(F)F 1857556059 OWPXBBYFUGODAK-KBNFCJHUSA-N 942.980 7.356 50 1 KKGF COc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857573190 JZBUJIJMBPVHSN-CIKFSXFISA-N 683.720 7.862 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSS[C@H]3CO 2356292152 MNFWHTHZMLKFKD-JTNSJYBOSA-N 987.294 9.425 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@@H](Cc2ccc(OCO)c3c2CSSC[C@@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 2356292512 RJXYCWPVZBQKJO-GTZRZQPFSA-N 950.233 8.109 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](c2cccc(O)c2)(CCN3)SSC1 2356321298 DXBPTWWYRMKIGV-VTLMBFNKSA-N 604.794 6.894 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSSCNc6cc(ccn6)[C@@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356338526 ZSYRVTXKKPIVGB-KAYWYPLZSA-N 685.868 6.592 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2C[C@@H](O)CC[C@@H]2CNC)Cc2cccc(c2)C1 2356357490 RVCLSSVXSFYGSY-FRSPNCQISA-N 958.335 5.326 50 1 KKGF CN[C@H](O[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC2([C@H](C)O)CCCC2)c(CO)c1 2356364925 BSRKCMWHVSVPDX-QSBYKTTJSA-N 791.045 7.756 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@@]6(O)[C@H](C(O)=C[C@H]6OC)[C@H]4[C@@]35C)C[C@@H]1C2 2356369084 PYUMAYNGEOTZNK-IXBVYUFKSA-N 625.941 7.167 50 1 KKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO[C@@H]5CC[C@]6(C)C(=CC=C7[C@@H]6CC[C@]6(C)[C@@H]7CC[C@@H]6[C@H](C)C=C[C@H](C)C(C)C)C5)CC[C@]4(C)[C@@H]3CC[C@]21C 2356404213 HIRVNRFYRHBEHL-MZYOFTHKSA-N 791.302 15.639 50 1 KKGF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](OC(=O)C(Br)Br)C[C@H]1CC3 2356549310 YERYMYTVRYIPQM-JBIUVESESA-N 598.504 9.510 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1C[C@]1(C)[C@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 2356793658 HKBWFRBRBGEOPF-ADTFMVTCSA-N 570.362 6.724 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CC(=C(N)N[CH]2)[C@@H](Cc2ccccc2)SSC1 2356812368 GYRUTCDAPSYMBY-HOVZJOHSSA-N 603.830 6.864 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356816914 DFJCMMDFYVUFLZ-XUZKAWFPSA-N 800.952 6.241 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356824278 GUFDWIHRICBYMW-WARRZFQZSA-N 797.101 5.827 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@H]([C@H](CO)Cc4ccccc4)CCCC[C@H]3O)C=C12 2356855208 RAMYLEPIGAOZCI-SGFDMWKMSA-N 910.256 6.776 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc(F)ccc2o1 3990481 ZNJVCNKZOAKRMN-GOSISDBHSA-N 553.977 7.147 50 1 KKGF CCO/C(O)=C1\C(CSc2ccc(NC(C)=O)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802482 KXKZHKBKIZEZDS-QTSZRPRMSA-N 515.557 6.598 50 1 KKGF Cc1ccc(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)nc4c(Br)cc(Br)cc4c3=O)cc2)cc1 58494017 JHEVHXUMTZVDOH-VTNSRFBWSA-N 616.313 6.650 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCCCCCCCOC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84654665 OOLUMZMWJKYDTC-WNBMRRHZSA-N 540.694 5.740 50 1 KKGF C[C@@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@@H](c3ccc(NO)cc3)CC[C@@]6(O)C[C@@](CO)(N=C(N)N)CSSC4)O[C@@H]21 85594336 DQARFAIBZBVDAZ-QHBQPEOISA-N 738.929 5.098 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cccc(CN4CCN(c5ccc(F)cc5)CC4)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103105362 VWFHIKRVWZWEIA-QUNBPGEXSA-N 566.714 5.873 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118927233 RKLDGEIKBMOFAU-BJRLRHTOSA-N 563.474 5.440 50 1 KKGF CC(C)c1ccc(OP(=O)(OCC(C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)Oc2ccc(C(C)C)cc2)cc1 169299773 XRMSLCZKJRDSGT-NOKNFWGUSA-N 923.134 12.413 50 1 KKGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238739664 OWDZZJZXKWBZCR-VOXVQUHGSA-N 644.890 8.053 50 1 KKGF Cl[P@@]12=N[P@]34=N[P@](Cl)(=NP(N5CCC6(CC5)OCCO6)(N5CCC6(CC5)OCCO6)=N1)Oc1ccccc1CN3CCN4Cc1ccccc1O2 299820211 FKHHTYRHHHDLIZ-NWFVACIHSA-N 803.502 8.743 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(N)ccnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190843 SUYUXRKNXAINCG-KURQEFGWSA-N 577.770 5.572 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 587325406 DXPAKWNERBVGIV-IUDBTDONSA-N 592.019 6.005 50 1 KKGF Cc1c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)sc2ccc(Cl)cc12 587371697 FQBLPOYLMQLZNI-DHLKQENFSA-N 531.830 7.357 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@@]1(C)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587616168 IYPKSXCEZZPYPH-VAVVCXTJSA-N 979.170 7.322 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1 587670331 KCULILYJYKGLOP-AMIRBURQSA-N 675.028 7.537 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 587671891 BFSNWVQTWKJSLX-VVVCHXIZSA-N 537.021 5.432 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2C(C(Br)Br)(C(Br)Br)N1 587671981 WKZFKOUKFYXGLG-RXMQYKEDSA-N 587.745 5.550 50 1 KKGF COc1cc(Br)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587674238 VGQFHIJGTIHRGR-OVWNDWIMSA-N 552.076 5.541 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587684247 KLKGNWUBLXJGOX-WXDSXEAQSA-N 667.487 7.979 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 587711273 JLLSDGGIQGVIDH-WNWIJWBNSA-N 517.105 6.058 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](C)(c1cccc(CBr)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962625972 DLLXSQIWJGWRTL-OFVILXPXSA-N 502.405 5.294 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2[C@]2(c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 962638208 KTGJWUNUHLAUAY-GFHYJXQXSA-N 716.999 7.766 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@](CBr)(c2cc(F)cc(F)c2Br)N1 962918335 IFGKKQWHJKMOFV-NZQKXSOJSA-N 569.196 5.463 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 963171739 MBBPHVDIHAUDLP-SHUZPENHSA-N 737.016 8.157 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](c2cccc(Br)c2)([C@@H](Cl)C(=O)c2cccc(Br)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963225621 ANXJXZGMOIVOAT-QJUVNUIASA-N 891.909 8.728 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@]2(c3ccc(OC)cc3C[C@@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963364666 GMNFZWQWEJDORZ-QVXXBSHFSA-N 640.530 6.313 50 1 KKGF CC(C)[C@H](Br)[C@]1(c2ccccc2)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963929080 STBDJMQVHCHIQO-HOFKKMOUSA-N 554.920 6.492 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1ccccc1Cl)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1857576225 JUZNOJCPYGNUHF-RLBMOIFJSA-N 626.069 6.247 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccncc4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccncc4)cc23)cc1 1857745533 VCKNOTXJHQUDOG-PFUSVQNESA-N 630.712 6.456 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CC[C@]5(CCC[C@@H]5CCO)C4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356300687 ORAGVSHRFNUSCK-BGVPPONFSA-N 887.086 5.174 50 1 KKGF C=C1[C@H]2[C@@H](OC(C)=O)[C@@H]3CC(=O)C(C)=C([C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@]2(C)CC[C@H]1O[Si](CC)(CC)CC)C3(C)C 2356335658 CLIVETVICYKYSS-JGDOZIKXSA-N 590.830 6.090 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]3(CCCC4=C5C[C@H]1CC[C@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356357136 GTBOFIDDSYJTQI-RYGMNTOBSA-N 559.886 6.756 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](C)(O)[C@@]4(CC1)[C@@H]2O)CCC=C(C)C 2356363950 RNKLDKHUYHVLLN-PTZHBZLESA-N 536.753 5.526 50 1 KKGF C=C(C=CC=C(COCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356374023 MCWYMQVEUHEVIV-ZWXDFQIXSA-N 829.132 5.798 50 1 KKGF C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 2356384367 HFVNWDWLWUCIHC-RBSKBTTNSA-N 646.652 5.415 50 1 KKGF CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O 2356401398 BYGFDSFPDBVAMG-VFVCCPDGSA-N 626.919 8.716 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@H]2[C@@H]1[C@@H](O)O[C@H]2O 2356421317 GBYQIIZDUSTWMM-AFPDYFEGSA-N 608.904 8.156 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356451598 LDBVZEVQQMRLJX-LRHGKWETSA-N 990.298 8.510 50 1 KKGF CC1=C[C@H](OC(=O)c2cccnc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@@]2(C)O[C@H]2CC1 2356541059 FDAHWIIHUAQTGL-DKHPPGLMSA-N 682.770 6.573 50 1 KKGF C=C(C)CCOC[C@@H]1O[C@H](n2cnc3c(N[Si](C)(C)C)ncnc32)[C@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 2356653305 AOXPNTGIUBBQAS-WWOUZDQESA-N 551.913 5.394 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2)N1 2356738617 OUUUTIPUESMCTM-SNJGARIUSA-N 821.119 7.459 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)CCC=C(C)CCCC(C)C 2356772980 NNKZUSAFPLLGKI-JALLVGJNSA-N 599.897 6.366 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 898942 COQAPWLZSHQTKA-MSDOJSJISA-N 544.644 5.627 50 1 KKGF biogenic,in-man C[C@]12CCSSC[C@]34C[C@@H](CSS[C@@H](Cc5ccccc5)c5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549241 ALBVIGFPGWYMFA-IEGGFENESA-N 808.214 7.538 50 1 KKGF biogenic,in-vitro COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1ccc(Br)s1)C(=O)OC)NCCC(=O)c1ccc(Br)s1 95546974 HXXAURMVKLBXFN-HOTGVXAUSA-N 730.588 5.604 50 1 KKGF CC(=O)N[C@H](Cc1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95549866 YIRPLGKUOHBEPW-QCRHZJETSA-N 790.251 6.825 50 1 KKGF N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@H](Cl)[C@H]1c1ccccc1 96933499 QEZPLPRGVOBXKX-JWQCQUIFSA-N 520.936 5.767 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@H]2O)[C@@H]3O)CC[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O 150343736 XRUJBDXOZFJXHA-KZOLUBNWSA-N 875.074 9.491 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCC#Cc3cccc(C#CCCO[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309792 DTMALESYWURLBA-LNGJLCJZSA-N 746.938 7.619 50 1 KKGF C[C@]12CC[C@H]3[C@H](CN=C4[C@@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N(c1ccc(Cl)cc1)C1CCCC1 169713799 KIRJENQTDJNKGS-CVJSIQNJSA-N 529.552 7.106 50 1 KKGF O=C(CCl)Nc1cc(OCc2ccccc2)c2c(c1)C(=O)c1cccc(OCc3ccccc3)c1C2=O 206577652 YCWQAGZYKZBBRA-UHFFFAOYSA-N 511.961 5.797 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@H](C(=O)O1)[C@]34O)O2 253636874 COEQIDDEZCASCC-XGLAGTPOSA-N 980.040 6.797 50 1 KKGF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(=O)N/N=C/c4cc(Cl)cc(Cl)c4O)cc3)cc2)no1 473137820 ZTIIENXLGUZJGQ-YKXXBMIESA-N 614.467 5.212 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 587539711 XRPKECBVTJTIMU-URXFXBBRSA-N 547.188 6.606 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)(F)F)cc1 587559186 ZLYQGAMVCTVFJM-IGKIAQTJSA-N 543.925 6.794 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587670516 LBOFIQHDVKMZQC-PLZPTFKGSA-N 545.290 6.629 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 587678730 KJHVSTMLWJHLLM-DYBLOJMWSA-N 515.604 5.820 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 587688375 LZNXUEOEFNVSBZ-SFDCACGMSA-N 530.696 7.319 50 1 KKGF Cc1cc(-c2csc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)c(C)n1-c1ccccc1F 587922718 SUBMZLCKLHKELO-HYARGMPZSA-N 527.709 8.722 50 1 KKGF CCN(CC)c1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1 962925241 YLBPMUMXACNYAA-AHKZPQOWSA-N 525.443 5.268 50 1 KKGF COc1ccc2c(c1)c([C@]1(CCl)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)c(C)n2Cc1ccccc1 962982180 WJSQXHTWFLXVFK-DWACAAAGSA-N 545.413 6.020 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Br)cc2)c2ccsc2CCN1Cc1cccnc1 963010376 NHQWMPXQKNUSSQ-UNMCSNQZSA-N 536.289 5.446 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cccc(Cl)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795576 JHXMDLBPOVMCFD-NDEPHWFRSA-N 523.416 5.589 50 1 KKGF CC1=C([C@]2(C)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)[C@H](c2ccco2)C(C#N)=C(N)O1 963905105 VZMYZZKNSLCWOH-CHNYNYQGSA-N 519.598 5.222 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCCCCCl)c3ccccc3I)nc(Cl)nc21 963927544 BONUJSRDXQZHFS-NDEPHWFRSA-N 650.392 7.476 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5ccc(Cl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 1772657379 NYQZTAOFCRDDJW-GTQRKIQBSA-N 592.180 6.626 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1C[C@H]4CC[C@@H]6CCC[C@@]6(C4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356365708 QOJRDOLSEZLRIJ-OIKKVTESSA-N 940.374 8.386 50 1 KKGF CC1(C)CC[C@@]2(C(=O)O[Si](C)(C)C)[C@@H](C1)C1=CC[C@@H]3[C@]4(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O[Si](C)(C)C 2356389614 AQZAOIHQVLJPQD-HHQAXJBDSA-N 689.259 11.216 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CCC=C(C)C)[C@H](Br)CC[C@]2(C)[C@@H]1Cc1cc(C(=O)O)cc(Br)c1O 2356452218 JGBUIUFDBKKZNT-YXVGLQIFSA-N 568.390 8.294 50 1 KKGF CC=C(C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C(C=O)[C@]3(O)C[C@@H](O)C(C)=C[C@H]3C(=O)O1)O2 2356520890 CHCOJVIDIGKSLY-BGFDSUNBSA-N 568.751 5.671 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H]5CC[C@@H](O)CSSCCC[C@H]5O)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356753827 JHNJJKNMMLXZBT-ATXOEVEQSA-N 786.072 7.946 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@H](C2(n3ccnc3)CCCCC2)SSC1 2356847032 OSYAIWFMEAOHLJ-CEOUBAIXSA-N 662.922 7.014 50 1 KKGF CCOC(=O)c1cccc(NC(=O)NNc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2Cl)c1 13779096 OJTIVJDODJMKGV-UHFFFAOYSA-N 512.353 5.018 50 1 KKGF O=C(NCc1ccccc1)c1c(SSc2[nH]c3ccccc3c2C(=O)NCc2ccccc2)[nH]c2ccccc12 27726774 MEEMAUXWQOCKLA-UHFFFAOYSA-N 562.720 7.309 50 1 KKGF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C/C=C/CC1)O[C@@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 29041901 ZBKZGKOPNVIOTD-OHFUDDRWSA-N 541.110 5.222 50 1 KKGF C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H](Br)[C@@](C)(O)CC[C@H](O)C(C)(C)OC(=O)c3ccc(O)c(c3)C[C@H]12 42921144 ILSVYGCEHGGXSV-AVUAXDHISA-N 602.404 6.056 50 1 KKGF O=C=NCCCCCCN1C(=O)N2[C@H](c3ccccc3)N(CCCCCCN=C=O)C(=O)N2[C@H]1c1ccccc1 73417913 QRTFPCQLDITABX-HNRBIFIRSA-N 544.656 5.567 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 84671887 JJQGOUALJFARBW-XGARDYCYSA-N 539.883 6.116 50 1 KKGF C=C(/C=C/C=C(/COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(\C)CCCC(C)C 85544534 SZTGJQWCAPKGOY-VFAWOPBYSA-N 630.907 6.154 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OC2CCCCC2)c1O 85567735 RLVYDZYETBXAAK-YPCBSWTMSA-N 738.965 7.809 50 1 KKGF biogenic,in-vitro COc1c(Br)cc(/C=N/NC(=O)c2ccc3cc(Br)ccc3c2)c(O)c1Br 95587393 ZLTVHPGKOWGCEB-NUGSKGIGSA-N 557.036 5.605 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(C=O)C[C@]4(O)C(=O)C(C)=C[C@H]43)[C@@H]1C2(C)C 96086272 NFTGKFBSWRGMSO-IEIRSVMLSA-N 584.838 7.198 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@@H]1N[C@@H](CCC3(O)CCCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 150347667 NNFNEBPSFBHKPS-FOIBVWISSA-N 971.292 9.514 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3ccc(C#N)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169313281 VXTYRSXHJKGPLW-QLKOSFMISA-N 722.876 7.366 50 1 KKGF COc1cccc(Nc2cc(C)nc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)c1 169352629 BXAFLYBFTMGGPG-UHFFFAOYSA-N 538.479 7.223 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CSCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253646454 PAJLLRUDJBTVAE-XBNCHGDLSA-N 654.844 5.230 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCC(=O)NCCS[C@@H]1CCO[P@](=O)(NCCCl)N1CCCl 299858236 DLYDHXFWSSMGFM-UXHFTUNASA-N 732.884 11.102 50 1 KKGF O=C(CSCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)Nc1ccc(C(F)(F)F)cc1 587114178 PMNLBEGDOYXOTG-UHFFFAOYSA-N 570.325 7.874 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3ccccc3)cc2)[C@H]1c1ccc(F)cc1 587324167 WRPCYHAJYJXIII-XCZPVHLTSA-N 503.367 6.848 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1OC 587543168 JQPMPCBYABAWEZ-MVSFAKPFSA-N 548.035 6.166 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587671012 NPFRKBTWNNNCOG-JMGHSTIFSA-N 512.261 5.744 50 1 KKGF CCC(=O)OCC(=O)[C@@]1(OC(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587737975 IVGLFAFYPXHVMT-FUKRVUMISA-N 739.094 6.409 50 1 KKGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@@]5(CCNC(=N)N5)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356360465 GTSKBENVCHLGSC-NKVKAMTNSA-N 501.806 6.613 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@](C)(O)[C@H]2CCN(CCCOC)[C@@H](CC)C2)O3)O1 2356363439 JVDINYXAHPHUIU-HWSFNUJFSA-N 885.064 5.841 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356388737 PLDRVZNFEHVQMM-YFSHYYMYSA-N 906.180 7.290 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@H]1CCO)C[C@@]2(C)O)CCC=C(C)C 2356565385 BCHINQNSSLQLBZ-DUTNLKPJSA-N 536.753 5.526 50 1 KKGF C[C@]12CCC(=NNC(=O)c3ccncc3)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(=O)c3ccncc3)CC[C@@H]12 2356716846 ZYEHQFGKBKGWDM-IFEKESRSSA-N 524.669 5.311 50 1 KKGF C[C@H](Cc1ccccc1)[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@H](O)CCCC1 2356853658 RIETXCTTXQIFIH-JTWMEIJKSA-N 866.203 7.168 50 1 KKGF CCCCCN(C(=O)CCCCBr)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 36188474 HMRMTWUTVVIJSI-RPVOLQBWSA-N 537.627 6.802 50 1 KKGF CCCCCCNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145562 RICPLIIZZUSKEL-INFDGNIISA-N 574.850 7.902 50 1 KKGF CCCCCCCOC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 49694426 ZNGGPTCPVTVPND-KAYWLYCHSA-N 510.583 5.299 50 1 KKGF CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@]3(C2)[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 73417945 GJRHITRDRUDSJP-VQGREVNSSA-N 622.172 6.019 50 1 KKGF COc1cccc([C@H](C#N)NNC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1O 82190424 DFVDEGIQZWAOQF-IBGZPJMESA-N 655.325 7.288 50 1 KKGF O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 95606209 CKIXKJGZIADGAK-UHFFFAOYSA-N 780.982 7.505 50 1 KKGF COc1ccc(Cn2c(=O)ccn([C@@H]3O[C@H]([C@H](O)[C@H](NCCCNC(=O)[C@@H](C)NC(=O)OCc4ccccc4)C(=O)OC(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]3O[Si](C)(C)C(C)(C)C)c2=O)cc1 195295961 ROSSUPBNZDCPTA-UNLFXHPESA-N 984.350 6.227 50 1 KKGF Cc1cn([C@H]2C[C@H](NC(=O)NCCCCCNc3ccnc4cc(Cl)ccc34)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)O2)c(=O)[nH]c1=O 195520209 SADDWCPSYQTLNT-HKIDPNTFSA-N 769.419 5.861 50 1 KKGF CC1(C)[C@H](OC(=O)c2ccccc2)CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5C[C@](C)(COC(=O)c6ccccc6)CC[C@]5(C)CC[C@]4(C)[C@@]34C=C[C@@]12OO4 198970436 BVNLNASZUNJKOH-SQZJSERPSA-N 678.910 9.854 50 1 KKGF CC(=O)O[C@H]1C[C@@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(N)=O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@@]12C)OOC1(CCC(C)CC1)OO3 299814683 SFYMERLVGXDHSO-SKCPMVRISA-N 633.823 6.143 50 1 KKGF O=[N+]([O-])c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)nn1CC(F)(F)F 587091109 BAYJRPNSZHVMBA-UHFFFAOYSA-N 516.168 6.317 50 1 KKGF C[C@@H](OCc1ccccc1)[C@@H](c1nc2ccc(C(=O)NN)cc2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587200550 IASCOPBMCDKBKG-UKPGIYTDSA-N 575.669 5.694 50 1 KKGF C[C@@H](OCc1ccccc1)[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21 587201389 YTCLQSQUVKDOIX-QJWGWKRISA-N 722.574 10.510 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1[N+](=O)[O-] 587323592 RWSFGFDBTPQWCO-JTHBVZDNSA-N 502.292 5.097 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cc(Br)ccc1F 587555695 HMICYKMTLIXRAM-NQIIRXRSSA-N 508.137 5.546 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587672485 FZHMJGNPMXZZHA-OYLFLEFRSA-N 564.249 6.248 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@H]1C[C@H]3[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]3[C@]2(Cl)C4(Cl)Cl 587694692 QAJNVJPRECDXOX-XBCLAMSKSA-N 594.994 6.571 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(I)cc2)N1 587738731 QLYGGWSMWWQRDG-BTDLBPIBSA-N 539.024 5.366 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1C1CCCCC1 618017068 AZHUYWIANBYKKG-MOPGFXCFSA-N 548.602 5.027 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CBr)(C2CCCCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962570183 KGXSRYJTMGPJRT-MVSFAKPFSA-N 575.503 6.513 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@@]23c2[nH]c4ccccc4c2C[C@H](C(=O)O)N3C(=O)c2ccc(Cl)cc2)c1 963011668 OBPOKFVSBAZXSP-OCKRADGESA-N 702.978 6.995 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@H](c2cnn(CCCCCl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963029517 CBNACVVAZORZKW-IHLOFXLRSA-N 592.042 6.530 50 1 KKGF CC(C)(C)O[C@@H]1C[C@]2(c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@H]1Cl 963043234 UINYXYOPMPCJAX-QKFVYFNMSA-N 582.043 6.615 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 963198475 VPNHSOBDDOIUDM-DNQXCXABSA-N 553.344 7.486 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](c2ccc(Cl)c(Cl)c2)([C@@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 963225238 CXCWNGIHCCCIBR-SCTDOJESSA-N 594.709 7.181 50 1 KKGF COCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 1857560793 BQRMSQJXAYZAON-HJSXPXKPSA-N 593.500 5.067 50 1 KKGF COc1cccc(/C=N/NC(=O)c2ccc(NC(=O)CC[C@@H](C)[C@H]3CC[C@H]4[C@H]5[C@H](C[C@H](O)[C@@]43C)[C@@]3(C)CC[C@@H](O)C[C@H]3C[C@H]5O)cc2)c1O 1857760928 DQYSGXJOVLNKIN-DNXSMMBUSA-N 675.867 5.481 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)c6cc[nH]c(=N)c6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@@H](O)CCCC1 2356295258 YDUPMVHTHJNNBW-QENSJNJUSA-N 774.062 6.474 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356307734 OOGNDOYDCCOFDN-DRBXKNIQSA-N 731.937 5.756 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](Cc1ccccc1)c1cc2cnc1N 2356320091 FNVOANJAEGPMRV-SRLATNSPSA-N 600.806 7.475 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356360552 IRYNUMWWXVTTHH-DXFIUUOGSA-N 769.087 7.343 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C6CC[C@@H]7CCCC[C@@H]7[C@H]6C[C@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356421968 AOBNCXOAARGXAU-IHMOWSBASA-N 979.278 9.004 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOCNC[C@@H](C)O)C3)c2)N1 2356509273 JYRNJZUPXAMRMJ-SEUFGJFJSA-N 800.101 6.005 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356649593 QXKMNBCFGXSGMG-ZLNHLMKNSA-N 772.090 9.153 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356760078 VVKRBLWZXURLSK-GWJHPONKSA-N 876.243 5.942 50 1 KKGF 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635.917 7.081 50 1 KKGF O=C(NN[C@@H](c1ccccc1)[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21)c1ccccc1 962956001 OAXZLPFPZHEYCB-DITALETJSA-N 571.643 6.276 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2ccc(Cl)c(Br)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963362763 ABNJMNBDRKHLFX-BZKUTMRRSA-N 711.834 7.795 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948295 RXEHQZUXHDLCGX-GYCQKSSZSA-N 710.240 6.072 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccc(C#N)cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857562772 BXNBZWBCCYYYDM-ILLCYOTFSA-N 566.643 5.162 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSS[C@@H](Cc5ccccc5)[C@@H]3O6)C4)C1)C2 2356299764 GTEOLYKODCLBJO-CGKVCHGYSA-N 974.258 10.403 50 1 KKGF 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DYQOWRWSKMIAEL-QQJNOOCOSA-N 548.777 5.520 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc([C@@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518613 WGSGYYQEICONIP-UNODNZEWSA-N 529.383 5.915 50 1 KKGF C=CCCCC[C@@H](C)CCCCCC#CCC[C@@H](OC)C(=O)OC(=O)[C@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC 257569245 VOGBKCAANIAXCI-MYXYSOIMSA-N 626.963 10.319 50 1 KKGF CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587073041 DLCIJEJFTBHKCF-QHCPKHFHSA-N 616.878 9.105 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)c1 587325407 DXPAKWNERBVGIV-NSJVFKKDSA-N 592.019 6.005 50 1 KKGF C[C@H](Br)[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330686 ORISCMFVTXOKLF-PWJBXEHMSA-N 509.293 6.588 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 587537154 BENPXIRNBPKVCM-LEAFIULHSA-N 562.372 6.131 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)[C@H](Br)[C@@H](Br)c1ccccc1 587537480 GDKSXDTWGWAFLL-ACWWYGLDSA-N 580.272 7.149 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 587673610 OQXQCFIILGQMCY-RKOGDMNLSA-N 586.299 6.594 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 587689883 XORLILWRCWVTRP-HVVPNVAPSA-N 531.809 5.341 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)N1 587711271 JLLSDGGIQGVIDH-QPFGOUBPSA-N 517.105 6.058 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 587721616 PVISXGKDLOHZIH-HQRLLJBISA-N 503.078 5.456 50 1 KKGF COc1ccc(/C=C(\C#N)[C@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587731176 HUKLQLJVXYRLEW-TURGPVSXSA-N 517.439 5.997 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)n2)cc1OC 587854138 QDOZFLFPLMFWFP-LLJTVLAQSA-N 550.881 6.005 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@@]1(c1ccc(Cl)c(Cl)c1)[C@H](Cl)C(=O)c1ccc(Cl)c(Cl)c1 962396391 GQWPMGOBKHMPBD-SXOMAYOGSA-N 598.810 8.492 50 1 KKGF COc1cc2c(cc1OC)[C@]([C@H](C)Br)([C@H]1CCOC1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679756 SLZCHZNXFBNUOT-KFSOKAEPSA-N 542.392 5.436 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(c1ccccc1)c1cc(S(F)(F)(F)(F)F)ccc1N 963072136 ZFGNRIKBCHXIHH-ZBKIVJSUSA-N 653.670 7.697 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cl)[C@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816981 IUZPGZBUCVDKSX-NDKRRWIDSA-N 566.057 6.111 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](c2cn(CCCCCCl)c3ccccc23)(C2C(C)(C)C2(C)C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947432 NMSQKHKVHVQFHD-LMUNWCQISA-N 805.551 9.113 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOC(=O)CCCC[C@H]4CCSS4)c4ccccc34)[C@@H]21 1857747512 KEPMRPWXFNWASE-NRUKRWIHSA-N 591.843 7.606 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356300946 PCPSYCJBDXEEQI-VEFKEQPTSA-N 918.191 8.413 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C(=O)Cc2cccc(C(N)N)c2)CC[C@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356370033 LQQRMOFFWIFBDL-HGAPGXOFSA-N 747.080 7.044 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356395516 QWGCJUCPEHGEJR-OLZCMKGDSA-N 793.017 6.794 50 1 KKGF C=C(C=CC=C(C)CCC=C(C)C)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCOC(=O)CCCCCCCCC)C(=C(C)C=O)CC[C@@]2(C)O 2356535296 STJFJPTXDBOCEX-OEWQPTQESA-N 624.947 9.689 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc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c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(CCCCC6)OO5)cc4)cc3c2)cc1)[C@@H]1COC2(CCCCC2)OO1 49898502 GESLBVFCTZEXML-ZAQUEYBZSA-N 676.806 10.466 50 1 KKGF CC1(C)CC[C@]2(CBr)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 66258268 ZDZKEYKRUFJWBZ-CHMVMOPFSA-N 503.609 8.752 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 72173078 WAQQAMDHWMTNBP-UHFFFAOYSA-N 597.856 7.974 50 1 KKGF O=C(c1ccccc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br 72178418 WCWVFVQXFSXZPR-GHVJWSGMSA-N 549.135 6.374 50 1 KKGF C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)C(=O)NNC(=O)Cc1ccccc1 95544057 CRCKOOMSGJXGAF-MSRBFALISA-N 818.972 5.649 50 1 KKGF C[C@H](O)CCCC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@@H](O)C2 150349141 HZCUESRVPMHVCV-MDEYNFMRSA-N 863.135 7.713 50 1 KKGF biogenic,in-vitro CC(C)(C)OC(=O)N(CCc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1)C[C@H](O)COc1ccc(O[Si](C)(C)C(C)(C)C)cc1 169998727 PCFLXFWPFJVNJH-NDEPHWFRSA-N 671.933 6.673 50 1 KKGF CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C)C(N)=O 195353001 YOISDXAVGVRXOR-CFBOULBPSA-N 731.181 6.864 50 1 KKGF C=CCCCC[C@@H](C)CCCCCC#CCC[C@H](OC)C(=O)OC(=O)[C@H](CCC#CCCCCC[C@H](C)CCCCC=C)OC 238778664 VOGBKCAANIAXCI-RNATXAOGSA-N 626.963 10.319 50 1 KKGF CC(C)(/C=C/C[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21)OO 255283603 YDANZQNAKUJCQB-SILJCLGZSA-N 500.676 5.498 50 1 KKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C[C@H](CCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299831035 XSJLCRYWNKAUOD-KBZFWCSISA-N 818.156 11.829 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC[C@@]3(C)O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 299846445 RPVOJEKMAVTVFM-ZLNLIMLOSA-N 550.689 5.216 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 299874038 ATVYEGCIKFTINA-JRMZOQFBSA-N 701.005 8.775 50 1 KKGF O=C(N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1)OCC1c2ccccc2-c2ccccc21 587167115 MQMBBGSTQVGJSO-SANMLTNESA-N 682.484 9.944 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cncnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189705 FLJFGXQVNGBLNM-CLAWJYFMSA-N 563.743 5.385 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)[C@@H]1c1ccc(F)cc1 587330182 FXQOMLJGPGTXGM-PEBXRYMYSA-N 517.219 5.876 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)CC(=O)c2ccc(O)c(CCC)c2O1 587491043 IAWPVFKQEJDZHB-LMSSTIIKSA-N 540.210 7.446 50 1 KKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)N[C@H](C)Cc4cc(Br)c(F)cc43)c[nH]c12 587688674 MZNLBTMZYOWORG-GUYXYOOLSA-N 511.866 7.390 50 1 KKGF COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CC/C(=N\NC(N)=O)C2(C)C 653722816 GHSPDHNQBYYRPD-PPFNPFNJSA-N 586.118 5.056 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](C2CC2)([C@H](Br)c2ccccc2F)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962712119 MFZRHHBYEZUGHH-BTPKNTPRSA-N 718.614 7.684 50 1 KKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@]2(CCCCCCCl)c1ccc(C(F)(F)F)cc1 962720169 ZVBDKMOAVLOQSA-SQJMNOBHSA-N 500.045 7.641 50 1 KKGF COc1ccc(CC(=O)NN/C(C)=C2/C(=O)c3ccccc3[C@]23c2c(ccc(F)c2F)C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963033318 GICSLDUHELABJD-CCQSUEGQSA-N 785.800 6.820 50 1 KKGF Cc1ccc([C@@]2(CBr)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)o1 963076234 GUQNJTBKSVNOKF-MMEOBGCCSA-N 758.558 8.183 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)c1ccccc1C[C@@H](C(=O)O)N5C(c1ccccc1)(c1ccccc1)c1ccccc1 963092734 LLQNYUYKSXBQAV-GWOJUWRHSA-N 868.486 10.331 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cc(C(F)(F)F)ccc1Cl 963183905 CKMSHRBXNNVXCD-DNQXCXABSA-N 519.792 7.120 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)([C@@H](C#N)c1ccccc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963797130 XYMYDCNDEFIQNO-YUDQIZAISA-N 572.459 5.350 50 1 KKGF Cc1cccc2c1[C@](C)(c1cc(OCc3ccccc3)cc(NC(=O)CCl)c1O)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863591 ZVOOVRQDFGBGAN-NHRFMIRVSA-N 609.119 6.357 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1ccc(F)c(Cl)c1)c1ccccc12 1772599459 CMRCVFNCRMHYKN-BHVANESWSA-N 651.061 6.229 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccc(F)cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857609342 YXHIQKHLPSUDFW-YDGLFLNXSA-N 559.623 5.430 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(-c4cc(-c5ccccc5)[nH]n4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857654391 UCHMXLKNSBYUBO-AYSCOMBFSA-N 502.611 6.331 50 1 KKGF O=C(NCc1ccccc1)c1ccc2cccc(SSc3cccc4ccc(C(=O)NCc5ccccc5)nc34)c2n1 1857743629 BQWVRXIGIODPRZ-UHFFFAOYSA-N 586.742 7.442 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(C4(NC)CCCC4)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356291950 IDLZKYJYKRPZQL-ILUFVNHCSA-N 998.321 10.020 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@@H]([C@](C)(O)C1CCCCC1)C3 2356351608 BAMXPVSHVPQRTI-SFGCVREASA-N 713.824 5.755 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356353033 GRBFQPDVOIVRLW-RXCLGITOSA-N 901.150 7.109 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@@H]4C=C[C@@]1(C[C@H]4C3)[C@]1(C=CC[C@H](C)C1)C2 2356355596 UTHZQAHJLYJINU-SFYYXOCWSA-N 683.084 9.738 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@@H]5C[C@@H]6CCC[C@]6(C[C@H](O)CO)C[C@@H]5[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356362110 ARKQIJPFNXRXGQ-SOTZXXHFSA-N 972.283 8.316 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@@H](O)[C@@H]3O)cc(C(=O)O)cc2c1O 2356368355 KSNDLQXVZFSTBG-PEHAKRKHSA-N 843.026 5.601 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@@H]1O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@@H](O)c2nc(C(C)=O)cs2)[C@H]1C 2356500310 RGMRJERYAWLGFL-UDDAHJNPSA-N 623.854 6.308 50 1 KKGF CNCCCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356613242 FCJBNQCVRMVLOF-JWIKCZGLSA-N 847.160 8.795 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCCC8)C[C@@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@@H](O)c2ccc1c3c24 2356829951 JCKAAFJAMXOJJG-JJMQKUINSA-N 953.240 7.649 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356851730 QJAZLCXWDPDILR-HPNJJVTESA-N 786.113 8.766 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@H](OCCO)[C@@H](CCC1)CC2 2356865816 VLHVCCQRDFMSDE-ZGPTWTDBSA-N 820.131 5.789 50 1 KKGF CNCC[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356865902 VLOPSTVTKRZVDM-LEAWEOJPSA-N 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CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H]([C@]23CC4(CCCC4)C[C@@H]2C=Cc2c[nH]c[n+]23)SSC1 85596424 MLBMIHPKVOZOGY-SMNVLEKUSA-O 699.963 7.761 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC(=C\c5ccc(C(C)C)cc5)/C(=C(\C#N)C(N)=O)[C@@]4(C)CC[C@@H]32)C1 118921515 RBRRJTIYWGDNBF-RZPIVLOCSA-N 526.721 7.003 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@@H]1N[C@H](CCCO)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 150347678 XBLBCMDGVHBGLN-PCYJUQSKSA-N 903.173 7.811 50 1 KKGF biogenic,in-vitro C=CCO/N=C(\C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@@]42OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616889 WGDOECSYODBCCA-XUUFUQFTSA-N 631.807 6.436 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C)=C6CC)c(C)c5[C@@H]1OO[C@]41C(=O)OC)[C@@H](CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@H]3C 255263433 RUCZQNDUMJKHHU-DKHHEMPPSA-N 887.219 13.896 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@H](CCCc1ccccc1)C(=O)N(N)[C@H](Cc1c[nH]c2ccccc12)C(N)=O 261134944 LWTYDGJEOHWGQD-AWIQEUKESA-N 822.944 6.202 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@H](C)CCC(=O)O)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299818402 BQZGIZZCEBSBQH-HOJWBLPSSA-N 870.484 5.539 50 1 KKGF O=S(=O)(N[C@H](c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)cc1 587170840 TZGGWRSRBQIUNE-GOSISDBHSA-N 586.377 7.190 50 1 KKGF NNC(=O)c1ccc2nc([C@@]3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCc4ccccc43)[nH]c2c1 587236269 IWMWKVLWXUQPQF-MGBGTMOVSA-N 543.627 5.285 50 1 KKGF O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321026 HVEXMKHBOMNJKC-BVRKHOPBSA-N 575.430 6.467 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]31C)CC2=O 587458757 FJZYJJUGCZDXKA-PURAFVMFSA-N 631.593 6.230 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)CC2=O 587463403 AAVZZPZOGZAEAA-RUZDIDTESA-N 507.936 6.750 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 587714402 PVFLJPHCFYKWGT-ZLOXQWCVSA-N 529.803 7.031 50 1 KKGF COc1ccc(/C=C(\C#N)[C@@]2(C(C)(C)C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587731178 HUKLQLJVXYRLEW-WGEAJWIYSA-N 517.439 5.997 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cc(F)ccc1O)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671696 DWRDVUCSTOTFMH-VWLOTQADSA-N 568.361 5.904 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccccc1)(c1cc(S(F)(F)(F)(F)F)ccc1N)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673165 GEPHLZWYLVEZJJ-PMERELPUSA-N 658.611 8.953 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cccc(OC(F)F)c2)N1C(=O)c1ccc(Cl)cc1 963034143 YMDQTKJKVKJJAW-AMGIVPHBSA-N 589.820 6.213 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CNC(=O)CCl)(c2cccs2)N1 963176137 SNEUQHAJOONVKP-LWQYYNMXSA-N 637.205 5.627 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 1857640335 IUIGMTUVCISTMB-JLEQGUAESA-N 621.331 6.583 50 1 KKGF O=C(Nc1cccnc1Cl)c1cc(N(Cc2ccc(N3CCOCC3)c(Cl)c2)C(=O)CCl)cc(C(F)(F)F)c1 1857650692 BEHZVANIGMXTNR-UHFFFAOYSA-N 601.840 6.268 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@@]54C)[C@@]21O 2356351168 RHSVFXXSLKPNNP-AEMOQURCSA-N 793.193 8.730 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@@H](O)CCC(C)C)c(=O)oc3cc1O2 2356372023 WBPXDCQQMMWEBK-NEOSNZFZSA-N 875.167 6.368 50 1 KKGF C=C(C=CC=C(COCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356374020 MCWYMQVEUHEVIV-AABAQNLNSA-N 829.132 5.798 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(Cc5cc[nH]c(=N)c5)CC(=O)N(Cc5cc(c6c(c5O)O[C@@H]5CCC[C@@H]5CC6)C[C@H]1CC[C@H]3C2)C4 2356409562 LSPCJQXLIQFFCN-TZENVVBOSA-N 957.361 9.196 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC[C@@H]4CCc4ccccc4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O 2356418290 FEVYXIZBDPZHOA-CNAXNYLMSA-N 952.242 6.266 50 1 KKGF CCO[C@@H]1[C@H]2C[C@H]3C(C)(C)O[C@@](CC=C(C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 2356499628 IKFKEJSONUWRCD-ZUEPESSGSA-N 590.713 5.722 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4ccccc4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356769474 GIKXGJREXJIHPY-XQLJKETESA-N 915.320 10.143 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356774464 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587201267 WVVBZYDGCKLSCX-IBGZPJMESA-N 678.521 10.495 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322188 LMZSWPMBZFPSOV-SNIBKWOQSA-N 597.565 7.406 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCc1ccccc1 587573705 WUNLLBHDCDINRL-PZXMZKPCSA-N 561.993 6.008 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587609444 VVEODGLSOHWYFZ-VBTAUBHQSA-N 530.560 6.470 50 1 KKGF COC(=O)c1ccc([C@@]2(C(Br)Br)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611095 FJKZQBCFMXYLMN-HRAATJIYSA-N 554.212 5.213 50 1 KKGF COc1ccc(-c2[nH]c3c([N+](=O)[O-])cc(S(=O)(=O)Nc4ccccc4OC)cc3c2CCl)cc1 587618872 XSZOLMRUDJTWMG-UHFFFAOYSA-N 501.948 5.300 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(C(Br)Br)N1 587670166 IGFQHBGKNKRVMY-XYZCENFISA-N 570.920 6.244 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587671014 NPFRKBTWNNNCOG-OEVHLYDDSA-N 512.261 5.744 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 587714833 BSMMDJZGNXYPSD-QPFGOUBPSA-N 500.008 6.207 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587843447 ZOGJRNSCYBKOMB-CRYYWNKWSA-N 610.977 5.033 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCCCCCl)(c1ccc(Cl)c(Cl)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962625367 HNMXCSKNMZMZQX-RBJSKKJNSA-N 568.925 7.485 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962629119 RKCYQTMWOLHJOU-SSPJTTNFSA-N 617.089 7.015 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(c3ccccc3C(=O)c3c(NC(=O)[C@@H](C)Cl)cccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678812 MYZSGXRUGJXUBO-XRSWDHFMSA-N 649.065 6.823 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)c3cccc(F)c3CCN5[C@@H]3CCSC3)[C@@H]2C1 962705163 JNQBJYKZGLNQJN-RHCNMGFESA-N 600.215 6.921 50 1 KKGF CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@]1(CCl)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963080070 RTYFXTNTHLHTRO-DEDNDXHCSA-N 944.419 6.061 50 1 KKGF C[C@@]1([C@H](Br)Cc2c(F)cccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963104535 UUDFIDRQCQBIAL-NIOPZXMRSA-N 652.579 8.490 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(c2ccc(C(C)C)cc2)N1C(C)=O 963317417 PXYYKPIXOWFXSS-BMQPFVSWSA-N 750.270 6.096 50 1 KKGF O=C(N/N=C/c1ccc(-c2cccs2)s1)c1nn(-c2ccccc2)c(=O)c2c1cnn2-c1ccc(Cl)cc1 1772586983 ZQZRQYDOOPBWLP-WKULSOCRSA-N 557.060 5.779 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCCC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857535460 PQLYUKOCGMLXAG-SNBRRRSNSA-N 586.814 5.190 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356349403 DXKBGPCPTODFGM-PRANABONSA-N 688.063 6.471 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356360843 PKMBWMDJQUGTGG-MHIAUOHSSA-N 590.845 6.972 50 1 KKGF CN[C@@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 2356368165 IWJZAMRVRGKBAS-XSEQESSCSA-N 718.938 7.680 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H]1O 2356453954 RSYMSFYFRRTHOX-XNEQLAGOSA-N 864.551 11.218 50 1 KKGF CCC[C@H](O)C[C@H](O)CC(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1 2356487509 DEWQGWAGXCRLPF-AYFHEKCDSA-N 837.077 6.767 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOCNC[C@H](C)O)C3)c2)N1 2356509272 JYRNJZUPXAMRMJ-LSUREGDTSA-N 800.101 6.005 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H]4c5cccc(c5)CSSC[C@@H](CC5=C6C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]62CC5=O)C[C@]31NC(=N)NC[C@H]41 2356777682 BNYHKIVHSSVGSC-ISRBMMCWSA-N 714.101 7.175 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@@H]1O 2356778319 RLHONFSRUWCIHA-NQFXGKRKSA-N 931.234 8.595 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356824801 GYXHHVMBCVKXEA-RIADLSSISA-N 823.139 6.121 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356826253 HWJMMVOGPDSAIE-ISWIEWPPSA-N 829.006 6.803 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356851131 QERRFFAURPVZHC-DAWLJPSPSA-N 756.043 7.760 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@@H]4[C@H](C(C)C)CC[C@]4(C)CC[C@@]23C)C1(C)C 2356873559 ZFSNVDPFIMUXQN-CMSNZNMSSA-N 500.764 8.064 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873520 UUKNORQZGYMTDU-DNQXCXABSA-N 661.796 6.774 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OC(C)C)C(CS(=O)(=O)c2ccccc2)=N1 34802436 YCOYUTQCTFESLX-KXZZPGAFSA-N 504.530 5.710 50 1 KKGF Cc1ccc(Cl)cc1Nc1nc(C(F)(F)F)ccc1C(=O)N/N=C/c1c(Cl)cccc1Cl 45356251 WNRVYWQARUSYHJ-ORBVJSQLSA-N 501.723 6.877 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(NCCNC3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)c2c1 49881630 IMPACDQICANCEX-UHFFFAOYSA-N 564.126 6.821 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCC(C(=O)O)CC1)OO3 49938102 ICEZGEDNPZIVEI-ORYUWPRUSA-N 664.789 5.807 50 1 KKGF CCO[C@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@]23[C@@H]2C[C@H]1C(=O)[C@]3(C/C=C(/C)C=O)OC2(C)C)OC(C)(C)C=C4 100774151 IKFKEJSONUWRCD-PROFROHRSA-N 590.713 5.722 50 1 KKGF endogenous,in-man CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(CC)c1)C(=O)Nc1ccc(C)cc1-2 101400835 YNIZHLBAPBPYQO-YMRWSMOXSA-N 535.308 7.432 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2cc(Cl)ccc2Cl)C2=C1CCC2 103950637 FPECZYCKTUIZNQ-LJQANCHMSA-N 560.287 7.353 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(C)s2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 118932881 NSWSWPQSYVIFLJ-QZQXRGSGSA-N 593.569 6.217 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 150348654 ZFWOABHUGDODTL-LTAPWHOPSA-N 903.269 8.601 50 1 KKGF biogenic,in-vitro CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSSC3 150349738 XCONJOBMXOMHMM-UFEAGOJASA-N 956.260 9.677 50 1 KKGF biogenic,in-vitro CC(C)Cc1cccc(C(C)C)c1NC(=O)CCC(=O)N/N=C1C(=N/NC(=O)CCC(=O)Nc2c(C(C)C)cccc2C(C)C)\[C@H](c2ccc3c(c2)OCO3)Oc2ccccc2\1 150617912 GOYJSRGDJJYCTP-JQYGRCSHSA-N 843.038 9.248 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)C3(CCCCC3)CNC2=O)cc1Cl 169314091 KESOTUPYRYBZQD-ZXVIRTSYSA-N 745.741 6.249 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 195159081 SBWFAIGFKMBQFX-YISOAGMOSA-N 798.421 5.306 50 1 KKGF CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)sc2c1[C@@H](Cc1ccccc1)C[C@@H](C(C)C)C2 195486526 PJEFXUVHAWNULU-ZHDDGHJISA-N 646.970 9.688 50 1 KKGF C#CCCCO[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]23)OCO5 211593850 GZWBUONSPKDJQT-VZNYXHRGSA-N 509.763 6.386 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(-c3cc(Br)cnc3NCc3ccccc3)[nH]c2c1 587000483 OFGPABQFGQSVIK-UHFFFAOYSA-N 505.310 7.657 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc2c1 587017643 OBUMDDVYYWJBGK-UHFFFAOYSA-N 517.730 7.822 50 1 KKGF CSc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587189675 DPNHMTKREYXNNM-JAJUVVLESA-N 607.861 7.317 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1COc2ccccc2O1 587686151 BVLFQAISWYTDKD-ICUZJZPDSA-N 533.869 5.863 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 587708353 BHRNKXPYBDPWOP-GCXOYZPQSA-N 533.930 5.631 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587855589 GSVNMNYSUGNMIB-ZQHDKMAOSA-N 604.029 7.829 50 1 KKGF COc1ccc(C[C@@H](C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1OC 587927519 VNALCXHQYZXEBK-SNVBAGLBSA-N 501.315 7.346 50 1 KKGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)/C=C/c1ccc(Cl)cc1)[C@@H](C)[C@H](OC(=O)/C=C/c1ccc(Cl)cc1)O[C@@H]4O3 653694175 CCVNERYZCJXHSS-IXTYISBNSA-N 629.533 6.993 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CCCl)c1ccc(Cl)c(Cl)c1 963063153 CLBXTYGJXKHXRV-BCQCSXDESA-N 567.897 6.345 50 1 KKGF Cc1cc(C)c2cc(/C=C(\C#N)[C@]3(C(C)(C)C)c4[nH]c5ccccc5c4C[C@@H]([C@@H](O)CC(=O)O)N3C(=O)OC(C)(C)C)c(=O)oc2c1 963068676 SBBFSFSONIJQTR-QFUSCTLMSA-N 639.749 6.737 50 1 KKGF Cc1ccc([C@H]2c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(B(O)O)c1 963094637 YZCGPJSWBLHMAS-SZAHLOSFSA-N 553.467 5.068 50 1 KKGF Cc1cc([C@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1-c1ccc2c(c1)CCC2 963100092 UCBUAXDLKSRGPE-YMJVKMAGSA-N 677.288 9.369 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(CC(C)(C)CC3=C2[C@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)N1 963167601 AMPSHQDCELTVLU-VLQHHUMFSA-N 748.327 8.397 50 1 KKGF CN1CCc2c(Br)cccc2[C@]1(CBr)c1cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c1 963282839 YOTFVGPWNSJNRP-KRWDZBQOSA-N 603.027 6.145 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](c2c[nH]c3c(CC)cccc23)([C@H](Cl)c2ccccc2)N1C(C)=O 963316888 ODYCZFIHEVSTKW-DOPSKRHJSA-N 851.378 7.757 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc(OC(F)F)cc2)N1C(=O)c1ccccc1 963417259 QNNHRZJUXCTGTP-WXVAWEFUSA-N 555.375 5.560 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]34c3ccccc3C(=O)c3cc(NC(=O)[C@@H](C)Cl)c(Cl)cc34)nc(Cl)nc21 963913834 FMHQBGRPMOQCQF-UAIZEJDJSA-N 661.977 6.884 50 1 KKGF O=S(=O)(c1ccc(S(F)(F)(F)(F)F)cc1)N(Cc1ccccc1)c1ccc(Oc2ccccc2)cc1 1772617982 SUZBAMAJXGRFEB-UHFFFAOYSA-N 541.563 8.532 50 1 KKGF N#CC1=C(c2ccc(Cl)c(Cl)c2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772652144 VBTAHGPSAOULOI-OAQYLSRUSA-N 537.287 6.970 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3c(C)cc(C)cc3C)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857560868 QYMNEFAOGCOFQU-GAVPYMHGSA-N 624.550 6.328 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1nnc(-c2cccs2)s1 1911572729 JZOYAJNEOSSLOH-NTCAYCPXSA-N 578.575 5.479 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc(ccn1)C1(CCCC1)C[C@]1(O)[C@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356291756 DIILEFFIEXEBIV-YHXUDBOWSA-N 915.140 6.240 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)CCC=C(C)CCCc1ccccc1 2356364737 XJXWSEROVOZLLF-PKCPJPHHSA-N 590.845 6.973 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@@H](CC)C1)C3 2356372836 NILYHGBHFCMNEC-BLZFYUFKSA-N 814.973 5.702 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CCC[C@@H]2CN(CCCOC)CC[C@H]21)C4 2356373167 TXTQSCGHVWITIU-DTAPRHDZSA-N 838.995 5.486 50 1 KKGF C=C(C)c1cc2c(=O)c3c(O)c4c(c(C=CC(C)(C)OO)c3oc2c2c1[C@](O)(C(=O)OC)CC2=O)OC(C)(C)C=C4 2356504076 DHSZUELPJXKISQ-HKBQPEDESA-N 562.571 5.098 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356656014 DUQLAWUGWNZQMW-IQENXFQWSA-N 779.072 5.242 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)[C@](C)(CO[Si](C)(C)C)[C@@H]5CC[C@]43C)[C@H]2C1 2356686485 HUKXXXJMJPMTML-ASSOEJJHSA-N 689.259 11.218 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C(=C6CCCC7(CCCC7)C6)C[C@H](O)[C@@H]5C)[C@]4(O)C3=CC(=O)[C@@H]12 2356767995 JYUHPIYEMXDHCN-YVVYVRICSA-N 810.224 7.930 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H]1CCC[C@@H](C1)SSC[C@@H]3[C@H](O)[C@@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 2356769470 GIEXSFCVSLNRPI-QXXOJUCOSA-N 708.939 8.864 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@H](C2CCCCC2)Cc2cccc(c2)C1 2356779175 NMOYBIPBMJFVHK-ODPBYJPJSA-N 767.108 7.125 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSS[C@H]2CCc3c(cc(OC)c(O)c3O)[C@H]2CC(=O)C[C@H]1OC(C)=O 2356806356 AGFGLSBSGIXVAL-CDTSBTHOSA-N 547.739 5.614 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356815364 CQICSDPGELOJQB-ZGUFVVCVSA-N 985.415 9.916 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@@H]4C(=CC[C@H]5CSSC[C@H]6CC[C@]7(CCCC78CCCC8)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4CO)c1 2356872533 YZXBMXWESHULLH-HBFRNXOCSA-N 834.198 8.886 50 1 KKGF COc1cc([C@H]2C(C#N)=C(NC(=O)Nc3ccccc3)Oc3cc(N(C)C)ccc32)cc(Br)c1OC 43617500 IWCNNXGXNAARFL-XMMPIXPASA-N 549.425 5.613 50 1 KKGF C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)C 85544596 MKOPDDSKRCCERF-AGPCQSKESA-N 633.914 6.561 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(C(=O)NCC(=O)N[C@H](/C=C/S(=O)(=O)c4ccccc4)Cc4ccccc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95547965 UCJXNVHDVHQIQM-SBZNOINBSA-N 744.907 5.856 50 1 KKGF CC(=O)OC1=C(c2ccc(OCCCCCCCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)C(=O)c2ccccc2C1=O 95560169 LYLQTAMVHGXCEX-UHFFFAOYSA-N 709.843 9.534 50 1 KKGF COc1cc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@@H](O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 95606300 HSZYRAJKWNJQKW-ROJLCIKYSA-N 771.100 5.366 50 1 KKGF N#CC1=C(N)N(c2ccc(F)c(F)c2)C2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96908488 HWLOSZCDCFTQTP-LJAQVGFWSA-N 545.549 6.482 50 1 KKGF C=C(OO[C@H]1[C@@H](C)C[C@]2(C(=O)OC)C(=O)/C(C)=C/[C@@H]3[C@H](CCC(=C)[C@H](OOCC)[C@@H]12)C3(C)C)c1ccccc1 103541308 CKNMYOIOGOCGJM-OJHDXCCVSA-N 538.681 6.264 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C(=O)C[C@H](CC/N=C(\N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)[C@@H]3CCC(C)C 150348727 SYBSPWRSWKPGHF-HRMIUAQISA-N 761.108 7.470 50 1 KKGF biogenic,in-vitro COc1cc2c(c(OC)c1OC)-c1ccc(SC)c(=O)cc1[C@@H](NC(=O)CCCSSCCCC(=O)OCCN(Cc1ccccc1)c1ccc(/C=C/C(=O)NO)cc1)CC2 150537516 GFEYVIFCFBYTFT-WLFZQWOBSA-N 888.143 8.275 50 1 KKGF CC[C@@H]1/C=C(/C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC(=O)NNc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 169369986 DLCPLXMTDSSZRL-TZQWMDINSA-N 926.158 6.234 50 1 KKGF C/C(=C\C[C@@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C 195063203 IQZRDEYKPNMTKJ-DBHDNACHSA-N 501.151 8.588 50 1 KKGF CC1(C)[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](C=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 208144319 ABLPYVIILZGPNT-ZJGIAAPESA-N 554.920 6.726 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 254130870 HJZKIBHFMSMROG-GNXKAVGDSA-N 711.907 7.130 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3O)sc2c1 299823066 CWIQSJDFORVDPI-AMVVHIIESA-N 572.518 6.885 50 1 KKGF CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]4(C)[C@H]2C[C@H]1C[C@H]3C(=O)OC[C@H](O)CCl 299838897 RKKUYLWNXGUBNM-YOJZTUKFSA-N 559.571 5.104 50 1 KKGF COc1cccnc1/C=N/NC(=O)c1ccc2c3c(ccc2c1)N1Cc2c(ccc4cc(C(=O)N/N=C/c5ncccc5OC)ccc24)N(C3)C1 299856431 BWWUTPWRPJQKRP-GAAYKLLRSA-N 676.737 5.626 50 1 KKGF C[C@H](Br)[C@@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322533 NDTJQDWDGWZPLU-DFTDMARZSA-N 520.192 6.332 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587329622 YRNPLMIZCQIRSG-POURPWNDSA-N 562.380 6.209 50 1 KKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)c(Cl)cc21 587458496 JVBMWCHCQDVTPN-SUMNFNSASA-N 524.400 6.017 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 587683452 HEMGHUVGWKPTEU-UOXLDJKESA-N 548.239 5.789 50 1 KKGF CCOC(=O)/C(=C(\C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689887 XOSJWAGGYXLAGL-CXNJLPQYSA-N 539.873 5.904 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(F)c(Br)c2)N1 587718728 OAMTUSMYSSQXHA-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587959162 JZUGRYNKBWATFU-WWMAXSSBSA-N 607.571 11.837 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)NC34CC5C[C@@H](C3)C3(OOC6(CCCCC6)O3)[C@@H](C5)C4)cccc12 621476140 SIIXIDFIDFWXMD-LDRODBFPSA-N 512.672 5.098 50 1 KKGF CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](NC(=S)NNC(=O)c4ccccc4)[C@@](C)(CC[C@@H]21)C3 653737363 DDHKHEDQQLZUCE-CDNBJWEZSA-N 525.759 5.530 50 1 KKGF Cc1cc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC[C@@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)n1 963080025 SYEAACMRUXNWPV-PBYLZTHZSA-N 996.388 7.851 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1c(-c3ccc(F)cc3)[nH]c3ccccc13)N(C(=O)c1ccccc1N)CC2 963159077 POMJCCIDPRBYHZ-MGBGTMOVSA-N 570.064 6.754 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCCCCCCl)(c2ccc(Cl)nc2)N1C(C)=O 963329640 QCHXWVWTFIXEML-GBWKFYOGSA-N 813.757 6.971 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc[nH]c2=N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@@H]3[C@H]1OC4=O 2356313751 XLWXSJGQPGEKIK-LFHIZVPJSA-N 688.828 5.645 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56C=C[C@](O)(CO)C[C@]5(CCC6)CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356352299 QWYWGHFWVFZVAH-HXLPMJBDSA-N 994.289 8.384 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356364617 ZNFDPSHWAGMTAU-SCRXRSAESA-N 931.227 8.420 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)CCCC(C)C 2356373292 XMLPKUYKVUHGKU-OSWUWPNASA-N 600.881 6.793 50 1 KKGF C=C(C=CC=C(COC(C)=O)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)CCC=C(C)C 2356514885 PCXCPWDHJKSSOL-VYDZHMBASA-N 528.730 5.541 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@H]4CCC[C@H]4CC6)C[C@H]1CC[C@H]3C2)C5 2356657593 MNCMKZRLWJZCDE-NMVBHKEGSA-N 967.396 10.950 50 1 KKGF C#CCCC#CC=CC#CC[C@@H](Br)[C@H](Cl)CC(Br)=CC=CCC(=O)NCCCCCNC(=N)N 2356795199 LSBQCRQOSCCPPW-DNQXCXABSA-N 612.838 5.109 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)CSSC1 2356824113 GSLFXGXLLPWPKM-DVHSGQJCSA-N 514.713 5.090 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CCCC[C@H](CCO)C#C[C@@H]3C=C12 2356837244 LIKVIGVIUQIDBZ-KARAIBBTSA-N 864.184 5.324 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@H]3CCC(=O)O)C(CC)=C1C 2356847194 OUQAYSAITXDWKM-OXQOHEQNSA-N 562.626 5.470 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SSCNC3=CC(=CCN3)C2)CCCC1 2356849913 PNJVWOJMWBMLLT-NQSJXCCJSA-N 717.010 8.476 50 1 KKGF Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1ccccc1)S2 28823777 MMORVLLNWZKSEL-LSCVHKIXSA-N 578.909 7.337 50 1 KKGF CCCCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145570 LVHSMTIPVCIBAR-HLUURGJWSA-N 547.780 7.549 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195351944 KPBVWWBWWNWKKW-UHSQPCAPSA-N 562.868 9.859 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)O[C@H]1OC(=O)/C(=C/C[C@H]2C(=C)CC[C@H]3C(C)(C)CCC[C@]23C)[C@@H]1O 238787441 KEUKAWSDTYOQMM-AEZCIIEQSA-N 634.898 8.593 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@@](C)(O)c5ccncc5Cl)[C@@H]4CC[C@@H]32)C1 299847761 DEPMEDSXCRDCRX-GZBQTMRSSA-N 532.285 8.602 50 1 KKGF CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)Oc2cccc3ccccc23)N2C[C@@H](Cl)CC(C)(C)C2)C1 299861288 IDMCXXPJSPYTRZ-USZFVNFHSA-N 533.584 6.963 50 1 KKGF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@@H](C)c3ccc(CBr)cc3)[nH]c2c1 586974173 RZCCZEVABDWJJF-HNNXBMFYSA-N 500.418 5.419 50 1 KKGF O=C(O)Cn1cc(I)c(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)n1 587186394 VKNNMNSMQZEKTB-UHFFFAOYSA-N 573.079 5.536 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cncc([N+](=O)[O-])c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191432 ZVIOTYYYJVVRHZ-GMNGCZMBSA-N 607.752 5.898 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 587672230 FGJSWHPZYRDOMK-OZAJXLCCSA-N 611.693 6.309 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 587682298 LFLQWIKQHCXKEL-AYLIAGHASA-N 546.028 5.366 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc([N+](=O)[O-])c1 587689142 PZBPPDXTNLYDDW-JCQPUDPBSA-N 506.803 5.921 50 1 KKGF COc1cccc(OCc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c1 587781591 XIWGLRPMDVGAGX-UHFFFAOYSA-N 535.332 8.237 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](Cl)c1ccccc1 587880293 WAELAEDOUVIENF-DEOSSOPVSA-N 530.795 5.531 50 1 KKGF COc1ccc2cc([C@]3(CBr)c4ccc5c(c4CCN3C(=O)OC(C)(C)C)NCCC5)ccc2c1 961774174 GGORJIMXHRZJCM-GDLZYMKVSA-N 537.498 6.638 50 1 KKGF COc1ccc([C@@H]2N(C(=O)CCl)N[C@H](c3c[nH]c4ccccc34)[C@@]23c2ccncc2C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962405446 QFTLMIRQIXGIBF-AMPXACGLSA-N 754.243 7.095 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)c3ccsc3CCN2Cc2cccnc2)c1 962998068 NVXQXYDXCOHOLG-XTEPFMGCSA-N 504.055 5.700 50 1 KKGF Fc1cccc2c1[C@@](CBr)(c1ccc(I)c(F)c1F)N1CCC[C@@H]1C2 963113236 QFQDEZFWUQIOGD-CWTRNNRKSA-N 522.146 5.368 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(c2c(C)n(C)c3cc(C)ccc23)N1C(C)=O 963329070 KJXLAMWQESDLFM-WQLQHLIKSA-N 789.307 6.081 50 1 KKGF CCOC(=O)[C@@H]1CCC[C@H](Br)[C@@]12c1cccnc1CCN2C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963547472 BNXHEKFWCIIXHZ-YGZVCBRSSA-N 618.450 5.680 50 1 KKGF Cc1cn([C@H]2C[C@H](C3(c4ccc(NC(=O)CCCCCCC(=O)O)cc4)SCCCS3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 1857756899 GHVQTKORQSZMTB-YIKNKFAXSA-N 706.016 7.270 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)OCc3ccccc3COC(=O)[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857767057 HOWNZHKGCXKMKB-AJDSIGAZSA-N 698.806 5.782 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@@H]1c1ccccc1 1857773999 GQRJDTFMMWUKIQ-YAORFUNHSA-N 546.664 5.971 50 1 KKGF N=c1[nH]ccc2c1CSSC[C@H](CO)[C@H](O)[C@H](Oc1cc3c(cc1O)CCC1=C[C@@H]4C#C[C@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C[C@H]13)C[C@H]2Cc1ccc[nH]1 2356291083 JVWBMVMUHWKKSG-GABMMDGGSA-N 790.061 5.446 50 1 KKGF C=C(C=C(C#N)C=C1N(C)c2ccc3ccccc3c2[C@@]1(C)Cc1ccccc1)[C@](C)(Cc1ccccc1)c1c(C)ccc2ccccc12 2356348073 YDHALBAMCCXLIR-MVRBIKRMSA-N 634.867 11.342 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@H]2C=CC[C@H]3O 2356367951 GZSWNBGZJZWDKH-UOGSAQCXSA-N 960.317 5.884 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@@]5(O)C2(CCCC2)[C@H](NC(=N)N)CSSC3)O1 2356414943 VYSZNBZEIAAATA-YXYLWQCQSA-N 734.941 6.186 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC)C3)c2)N1 2356492122 XONQSERXDWQTFG-CICMMZSLSA-N 767.027 6.190 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)C1(CC=C(C)C)CCCC1 2356562623 YJOUVDGDSWRJKH-HNQIQBRRSA-N 607.876 5.752 50 1 KKGF CCCCC[C@]12Cc3ccc(O)c(c3)O[C@H]3CCC[C@@](NC(=N)NC)(CSS[C@@H]1CC[C@@H]1[C@H](OC(C)=O)C[C@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@H]12)C3 2356740637 WVEUDLTVALHUTE-JCKSYAIVSA-N 849.129 8.369 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356773928 MPASCQACILSQFD-YQXQRXKASA-N 763.073 5.924 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356777609 ZYZGTQBQNISGID-GURUAQPLSA-N 817.165 6.828 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@]4(C#C[C@@H]3C=C12)C[C@H](c1ccccc1)CC[C@H]4CO 2356841915 MJJLMSNBCORCOK-MBEPIROVSA-N 950.321 7.871 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1C1=CCN=C1 2356875116 ZZLXRKHPVGJNJV-WNIGELOFSA-N 929.147 5.866 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@H](C[C@@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)CC[C@]34C)[C@@H]2CN2C[C@H]3CC[C@H](CCc4ccccc4)c4ccc(CCCO)cc4CSSC[C@@H](C3)[C@@H]21 2356876284 ZJDJMUAMRIKORV-NBWMRFIDSA-N 788.217 8.901 50 1 KKGF O=C(CCCCCBr)N1CCC(C[C@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 38151137 HRFLQTVITXWRDO-RUZDIDTESA-N 639.473 6.593 50 3 KKGF CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@@]3(C)[C@@H](C[C@@H](Br)[C@@H]3O)[C@@H]21 29345414 BAECMHORTVAGMR-FTAPQOLWSA-N 604.714 8.368 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(/N=C/c3cccc(Br)c3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84654513 JDBLIMANPBEAPQ-DQTSHQJUSA-N 622.526 5.684 50 1 KKGF C[C@H]1CC=C[C@]2(C1)C[C@@]1(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSSC[C@H](C4)C[C@H]32)C[C@H](CNC2CCCCC2)C2(CCCC2)C1 85543453 ALCHOLVLMLSLBL-FMOSCUPTSA-N 781.273 12.303 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)cc(OC)c1O 85567741 AEMQUFDKHUYILQ-PUTWWHFGSA-N 694.868 6.414 50 1 KKGF biogenic,in-vitro N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Br)cc4)nc23)[C@H]1c1ccc(Cl)cc1 103174443 BXJPDPVRBAFCNV-KOGVQQCSSA-N 514.810 7.039 50 1 KKGF O=C(c1ccccc1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@H](Cl)[C@@H]2c2cccc(Br)c2)o1 103185599 JAGFYKJQSKNKIK-YADHBBJMSA-N 573.230 5.991 50 1 KKGF C=C(/C=C/C=C(/COCCO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@@](C)(O)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C 103574822 JUTMFHKUBGXKGY-DKYCVXGISA-N 556.784 5.521 50 1 KKGF biogenic,in-vitro CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344137 FUOMRAZAFSYFRG-KGCCNUQGSA-N 839.093 7.449 50 1 KKGF biogenic,in-vitro CC(C)=CCc1c2c(c(O)c3c1O[C@@]14[C@H]5C[C@@H](C[C@H]1C3=O)C(=O)[C@]4(C/C=C(/C)C=O)OC5(C)C)C=CC(C)(C)O2 238733631 ORNMPVMTDJIPQS-GURATUFDSA-N 546.660 5.707 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccnc(Br)c3Cl)nc2c1 587005829 VKDRAKAZBNXTAM-UHFFFAOYSA-N 513.511 7.461 50 1 KKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(OCc4ccccc4)c([N+](=O)[O-])c1)[C@@H](C2)C3=O 587412376 BBXQIKOZPNMRHA-DFBJGRDBSA-N 510.340 5.220 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(F)(F)F)cc1 587546248 IPGOZGLMJUTMFT-SQHAQQRYSA-N 527.926 6.914 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1C[C@H]1COc2ccccc2O1 587689591 UUGDUCRVQZPTGO-FZGXAJRXSA-N 533.869 5.863 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 587721119 VTXKZAVQPBVFMX-YEBMWUKDSA-N 527.812 6.614 50 1 KKGF CCCCCCCCCCSC(=S)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCCCCCCCCC)CC2)CC1 653715435 CXVXXVPZBZNMMP-UHFFFAOYSA-N 755.380 10.490 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@@]2(CCC3)c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1 962632650 LLDOUXLVRAVDQV-PHYCXYHLSA-N 564.733 7.383 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1c[nH]c3ccccc13)([C@H](Cl)c1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682000 TZXCEDRJWJINSM-VTIYRKAUSA-N 605.056 8.126 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(c1ccccc1)c1ccccc1NC(=O)CCl 963000375 WKQXKHVIASZBTE-UUWRZZSWSA-N 617.529 6.484 50 1 KKGF Cc1ccccc1[C@]1(CCCCCCl)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963021822 ROHRGJBBLLLERF-DLFZDVPBSA-N 549.498 7.324 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2ccc(OC)c(Br)c2)N1 963153719 BQVCJDWUIQOZCD-LBHUVFDKSA-N 727.497 7.376 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(C(Br)Br)C(F)(F)C(F)(F)F 963189125 CDKIPOJDBJJGKF-WMZOPIPTSA-N 538.152 6.318 50 1 KKGF COc1ccc(Cl)c2c1CCN[C@]21c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 963257635 LZPBMXQSWFWUPH-VWLOTQADSA-N 501.797 5.161 50 1 KKGF Cc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1F 1772577948 FGFXVWOTSZPHLE-QFIPXVFZSA-N 500.414 6.110 50 1 KKGF O=C(NO)c1ccc(OCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1772584792 PJOWPCGAKZDDBQ-UHFFFAOYSA-O 598.744 7.785 50 1 KKGF COC(=O)/C(C#N)=C\c1ccc(OC)c(OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c1 1857619394 YQVCZSIFNSIKIT-DMCMZGCZSA-N 723.907 8.714 50 1 KKGF O=C1c2ccccc2C(=O)c2c(O)c([C@@H](c3ccc(OC(F)(F)F)cc3)N(CCCl)CCCl)cc(O)c21 1857621125 QKTBVOGFMVRFQZ-JOCHJYFZSA-N 554.348 5.641 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccccc1 1857644028 SURQNSKCFJSZNE-MSGPXFPTSA-N 641.809 7.556 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSSC[C@]34C[C@H](C[C@H](CCCCNC(=N)N3)C4)Oc3cc(ccc3O)C2)C1 2356360884 QSJFCWYCYGJVRJ-PJCWHJOWSA-N 793.021 6.810 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](C=C[C@@H]3[C@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@@H]13)SSC2 2356361368 ZVXOQNXYVZAKPZ-UHMPWESZSA-N 776.978 6.194 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356370266 OMELYABDBXQMBU-RLZNGPEHSA-N 833.174 8.663 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356374196 PPSNTWWLJXAHIU-DCCQMIFXSA-N 877.220 7.464 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356462560 XHEUFMOIEYKEEI-RQKQXWRMSA-N 803.005 6.186 50 1 KKGF CC1(C)c2[nH]c(Br)nc2C=CN2C(=O)C[C@@H]3c4ccc(Br)cc4N[C@]32C[C@H]1Cl 2356492178 XRFAXSYCYALISO-URFZZILJSA-N 526.660 5.332 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1ccccc1 2356499062 QQQVNLHZIGNJSW-ITYJJJSUSA-N 597.891 5.350 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356815024 CNUUQSXYBLYNQO-BQHWCUEUSA-N 784.141 10.326 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@@H](O)C2CCCC2)C1 2356817157 DIDJKGYPHJQHLR-GNTMSNPKSA-N 877.227 5.502 50 1 KKGF CN(C)C(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145613 YPQNGKZSKASBRT-YKEYHJQHSA-N 518.742 6.294 50 1 KKGF CCCCCCCCCCCC(=O)OCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCOC(=O)CCCCCCCCCCC 49804045 ZLIMUOAAUHDOIU-UHFFFAOYSA-N 757.116 10.874 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC(=O)CCNCCCCCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 71340465 FLIWWUOVWONOMH-DGUFOSELSA-N 616.199 6.591 50 1 KKGF Cc1cc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)cc1Cl 103185689 CFLZLIJXWYUYLO-XZOQPEGZSA-N 587.257 6.299 50 1 KKGF Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2cc(Cl)ccc2n1 103204213 OBNCDLMUQCIGSS-YTJKISDPSA-N 578.109 7.229 50 1 KKGF CC(C)(C)N(C(=O)c1ccc(Cl)cc1)N(SN1CCN(Cc2ccc(Cl)nc2)/C1=N/[N+](=O)[O-])C(=O)c1ccccc1 103220983 RYHZLYCJLZPTBL-ZXPTYKNPSA-N 616.531 5.615 50 1 KKGF CCCCC[C@H](C)C[C@@H]1CC[C@]23CSSCc4cc5c(cc4C(N)N)C#CCc4ncc[c-]4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)/C=C/[C@]1(C[C@H]2O)C3 150349151 GNLGNOJJVOPXRV-ZIRHVAEZSA-N 915.255 10.159 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169354558 YCOIJPSIDUQDNN-NSNJGZMSSA-N 812.448 5.694 50 1 KKGF C=CCO/N=C(/C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@@]42OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616854 WGDOECSYODBCCA-AQWWFCDGSA-N 631.807 6.436 50 1 KKGF COc1cccc(F)c1CN1C[C@H](NC(=O)c2ccc3[nH]nc(-c4ccnc(C)c4)c3c2)CC[C@H]1C(=O)N1C[C@@H](O[Si](C)(C)C(C)(C)C)CO1 224037118 MNMHDWDMZWIGLI-BQUQFXLMSA-N 702.904 6.008 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H]5CC[C@@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@]21C 254025984 XRRHDGKBIMJRKD-OMEHCBEASA-N 546.384 6.503 50 1 KKGF CC[C@@H]1C=C(C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@H](Cl)[C@H](OC)C3)[C@@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 261527173 KASDHRXLYQOAKZ-PVBZYFKDSA-N 810.466 5.719 50 1 KKGF in-man COc1ccc2cc(-c3cn([C@H]4C[C@H](n5cc(C)c(O)nc5=O)O[C@@H]4CO[Si](C)(C)C(C)(C)C)nn3)ccc2c1 473136268 OZQVJTCMZCXWDE-JIMJEQGWSA-N 563.731 5.228 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191933 ZMAOGCUASAENTJ-RJCQRBOISA-N 579.757 6.734 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(-c3sccc3Br)cc1)O2 587412285 YKHDXPFHSCEUNL-NRFANRHFSA-N 507.247 6.324 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccc(F)cc1 587571691 OPMFEVLQHQDQCI-PIJLPJPFSA-N 506.961 5.747 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587620535 ZOSAPYHMMUPEAB-RAPZWNEGSA-N 604.124 7.060 50 1 KKGF COc1cc(Br)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587671953 BXSHSQYFIXGJNZ-OVWNDWIMSA-N 552.076 5.541 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587685288 PIAOKTJXMNVDNO-SOKVYYICSA-N 511.866 7.246 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587854492 CATFPIVMLRGWJA-NOVUIFNWSA-N 604.029 7.829 50 1 KKGF Nc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-] 587895476 RDMKBOGQSLEGQD-UHFFFAOYSA-N 504.264 5.852 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@H]5C[C@H]1C(C)(C)O[C@]4(C/C=C(/C)C(=O)N[C@@H](CCC(=O)OC(=O)c1ccccc1)C(=O)O)C5=O)C3=O)C=CC(C)(C)O2 653837590 CSFKRYMNAGFSSF-MCQIORHBSA-N 793.866 6.161 50 1 KKGF COc1cc2c(cc1OC)[C@@](C)([C@@H](Br)Cc1cccc(Cl)c1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683384 XXVWLUOWECODAE-IGKIAQTJSA-N 614.861 7.435 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@H](c2ccc(N3CC[C@@H](CO[Si](C)(C)C(C)(C)C)C3)nc2F)N1 963163814 RRSNXYMQUKSTCI-HHMFQWOISA-N 758.027 8.438 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@H]3c3cc(F)ccc3CBr)nc(Cl)nc21 963915819 QDNAJBCPKRTNCG-OAQYLSRUSA-N 530.829 5.952 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCN(C(=O)c3ccccc3)CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857583833 XCTNNIJPJKCHBB-FTZPCCMNSA-N 705.937 5.552 50 1 KKGF [N-]=[N+]=NCCOCCO[Si]1(OCCOCCN=[N+]=[N-])n2c3c4ccccc4c2N=C2N=C(N=c4c5ccccc5c(n41)=NC1=NC(=N3)c3ccccc31)c1ccccc12 1857745336 NQYUEWSWDCPPHD-UHFFFAOYSA-N 800.876 6.058 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356354100 VWUYDVNJXDDWSS-FXNULNBJSA-N 902.226 6.527 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356669765 MEFYAYUAOPRDCN-FOTIBFCHSA-N 841.143 5.617 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2)N1 2356753003 MNIJDGDIIYGAKD-GWWFFPOESA-N 743.005 6.025 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356775301 LBTXTJUMFVVZJA-FDUYGLKHSA-N 845.175 5.741 50 1 KKGF CC(=O)OC(C)(C)[C@@H](C)[C@@H](C)C[C@@](C)(OO)C1=CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356793724 HNDRHYSJRCQNII-HWJXFNRESA-N 536.750 5.264 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356833864 KKOUMCYYXGDPCH-IXFGRIFVSA-N 933.339 8.620 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@](CN2C=CNC2)(CCN3)SSC1 2356833945 JYUGJPNTKOXWDB-ROTAYESASA-N 594.803 5.474 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(N3C=CNC3)CCCCC2)SSC1 2356836923 LFBVODAXMMQZDU-HEIROHQZSA-N 636.884 6.790 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356875048 ZYRGFCMDZBURBQ-RITAQYLRSA-N 838.233 11.496 50 1 KKGF COc1cc2c(cc1OCCC(=O)N1C[C@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O 26267518 XZOQZPTVGKFOEE-ROUUACIJSA-N 534.012 5.013 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2ccsc2)cc1)C(C)(C)C 29134686 OHWLHRVHIJTYST-UKVDXBKXSA-N 712.913 5.548 50 1 KKGF COc1c(C)cccc1CNCCCCCCNCCSSCCNCCCCCCNCc1cccc(C)c1OC 29398467 IVHCSIUUMXJNIU-UHFFFAOYSA-N 618.998 6.881 50 1 KKGF CCCCOC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145573 LVHSMTIPVCIBAR-LWPVYFRESA-N 547.780 7.549 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O 43411366 YZCAUYMKOMUJNA-AYBMVOPDSA-N 570.767 6.573 50 1 KKGF C[C@H](NC(=O)Cc1ccc(O[P@@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 49938041 NDVKODCCKFJFSA-UVQBCLPFSA-N 719.172 7.320 50 1 KKGF COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(C[C@@H](NC[C@H](C)O)C[C@H]5CC(C)C)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 85595576 BUXRLMIVRPHVIY-HDAJUATNSA-N 854.138 5.205 50 1 KKGF biogenic,in-vitro CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@@H]4CCl)C[C@@H]3CCl 95549408 HFBVJCULYWSBPU-ZEQRLZLVSA-N 763.719 8.698 50 1 KKGF C=CCO/N=C(/C[C@H]1O[C@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@@]24OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616948 WGDOECSYODBCCA-KJCNOKDFSA-N 631.807 6.436 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(O)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 254144241 JEVRXFJEOXKKDH-GNXKAVGDSA-N 712.891 7.254 50 1 KKGF CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586939326 UOFVSYVDLQNZNH-HNNXBMFYSA-N 568.815 7.312 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056267 OLNPYJXXNRBVNK-VGOFMYFVSA-N 509.746 8.014 50 1 KKGF N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1F 587143716 FBOFJLOCZPWHCT-GFCCVEGCSA-N 539.137 7.127 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 587322151 LMJYNVLUXITKOV-JDXGNMNLSA-N 624.300 7.425 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325555 YRGFAEQYAOXEIX-WIRXVTQYSA-N 564.868 7.082 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Cl)cc1)[C@@H](Br)c1ccccc1 587539529 WWSNIBJPKIBZFN-MSLLRLGPSA-N 521.794 7.039 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587546305 VUOYQCXNYXBHSE-GGXMVOPNSA-N 503.982 6.294 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962572456 OXCSOMQMOCJOPA-YWYFBRAESA-N 703.198 8.148 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2ccc(Br)c(F)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963067954 HRVXFYNWYZSMLW-BYHBGFKFSA-N 869.446 9.322 50 1 KKGF CC(=O)c1c(C)[nH]c([C@]2([C@H](C)Cl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1C 963072315 CZBCACBHEDMZBF-MFHBAKHRSA-N 783.214 8.661 50 1 KKGF Fc1cccc2c1[C@](CCCCCCCl)(c1ccccc1I)N1CCC[C@H]1C2 963099466 HKRKURIUVILMLY-CYFREDJKSA-N 511.850 6.884 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 963171723 MBBPHVDIHAUDLP-HJIQQCSTSA-N 737.016 8.157 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 1772657725 CVYAKKKJBHGYLU-CAFDVULPSA-N 557.735 5.973 50 1 KKGF COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)OC(=O)[C@@H](N)Cc1ccccc1)C(C)(C)C 1857612355 SVEGMNKHZVDHDG-BMYMHALSSA-N 852.046 5.333 50 1 KKGF COC(C)(C)CCC[C@@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](OC(=O)CBr)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 1857654375 NOPOKGFCPVAUCJ-DDSRACOCSA-N 613.718 7.295 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NCC(C)=O)c(CO)c1 2356358501 QEUHONDCRFMHOK-CFKMPFJZSA-N 744.976 8.241 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356362214 CRDTWDVBXHKDJW-HJMLLENLSA-N 927.321 8.239 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@@H](SSC4)[C@@H](C3)C[C@H]12 2356363654 LEDBRCQWCQYGTC-QMFSCOKESA-N 696.123 11.687 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4[C@H](CNC(=N)N)[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@@]34C)[C@H]2C(=C51)CCCC21CCCC1 2356442328 YFAWYFXIRDGKSA-LYOLICNFSA-N 940.374 8.386 50 1 KKGF CC(=O)O[C@@H]1CC(C)(C)[C@]2(C#CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O)O[C@]2(C)C1 2356669183 PRMVHLYTIYMENC-WKNKXPLESA-N 654.888 7.915 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356731783 YTMNUZVMZUHFMD-LZMSIUHZSA-N 889.282 9.971 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@@](O)(CCNC)[C@@]4(CC1)[C@H]2O)CCC=C(C)C 2356777769 CUSSHMPZQDJBPY-JXKWRIKHSA-N 579.822 5.116 50 1 KKGF COC[C@@H]1C[C@@H]2CCCC[C@]23NCOc2c4cc(c5c2O[C@H](O)[C@@H](C5)[C@@H]2CSSC[C@H](C(C)C)NC(=N)N[C@@H]2C#C[C@]32C=C[C@H]1C2)CC[C@H](O)CC(=O)CCc1ccc(O)c(OCO)c1C#CC4 2356778164 NQWBMLXLYHSYEJ-SUXHGWKVSA-N 969.280 6.002 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@]8(C)O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@H]3C[C@@H]2O1 2356800436 QBKXNFFVHDOYEC-WVCUZJKKSA-N 881.113 6.341 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356836864 LELMGULNVJKKNX-RTPFIFLOSA-N 931.323 8.746 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NCSSC[C@@]67C(=O)c8c(cccc8C(=O)[C@@H]6C=C(Cc6cccc(CO)c6)C=C7O)O[C@H]6O[C@@]7(CO)C=C[C@@H]([C@]41[C@H]2CC5)[C@@](O)([C@@H]6O)[C@H]7O)NC3 2356843815 NPSTZRKDLCDZIR-SSCJGTPESA-N 949.157 5.139 50 1 KKGF N#C[C@@H](/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N\NC(=O)c1c(O)ccc2ccccc12)c1nc2ccccc2s1 5811485 RHUVOUDVROSABB-CUARQGHQSA-N 592.637 6.265 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccccc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873509 DQNAYEJQHOMPNK-RPWUZVMVSA-N 627.351 6.121 50 1 KKGF C[C@]1(CC(=O)NCc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CC2(CCCCC2)OO1 49677820 DADPDKNIGTWIBC-QHCPKHFHSA-N 531.493 7.336 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@H]2[C@@H]([C@@H](C)COC(=O)N(CCCl)CCCl)CC[C@@H]32)C1 72134962 NEMMSRWWWNYJJZ-PBHCBYCRSA-N 765.004 13.067 50 1 KKGF CC(=O)N[C@@H](Cc1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95549868 YIRPLGKUOHBEPW-MKQUXBLGSA-N 790.251 6.825 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169358556 LTLNAIFGVAUBEJ-SXAOQCIISA-N 826.475 6.085 50 1 KKGF CCC[C@]1(C[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169361498 ZHVQBIHGGSQOSC-ZJYRUOFWSA-N 590.710 5.324 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(I)c(N)nc2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195464135 HJZKIBHFMSMROG-CUDBPUKSSA-N 711.907 7.130 50 1 KKGF C=C(CC[C@H](O)[C@@]1(C)CC[C@@H](O)C(C)(C)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 238765348 KECQQVSCCHRDPW-HNIALINBSA-N 587.636 5.989 50 1 KKGF O=C(Nc1ccc(Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1)c1ccc(Br)o1 587008225 RAABDNPLPGQVCH-UHFFFAOYSA-N 522.293 7.419 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 587328809 VTUOIPMCXKDNPF-XCZPVHLTSA-N 510.392 7.085 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 587332382 SFTLOISWHSDOET-HHGRCQJWSA-N 555.980 7.422 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 587372636 FSGUTHVLMDKCDN-ICSRJNTNSA-N 512.194 6.005 50 1 KKGF COc1cc2c3c(c1)O[C@](COC(C)=O)([C@@]1(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]41C)[C@@H](C2)C3=O 587421908 OFDBVADYHRXGHN-CEMQODPLSA-N 615.550 5.362 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(OC(F)(F)F)c1F 587558909 YDXQURKAVUELTF-DYESRHJHSA-N 513.237 5.682 50 1 KKGF CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587616084 AYWYBYAGRGZLJY-SJHOIFEDSA-N 602.152 7.713 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 587674350 WHTJUFZSCJMIIP-SGANQWHYSA-N 610.159 7.006 50 1 KKGF COc1c(Cl)cc(Cl)cc1[C@@]1(CBr)N[C@H](C)Cc2cc(Br)c(F)cc21 587674474 WYKFQNLDXQXDFE-LZVRBXCZSA-N 512.044 6.076 50 1 KKGF [C-]#[N+][C@@H](c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 587897055 ZSERFYGFFWHOLD-AREMUKBSSA-N 511.430 5.404 50 1 KKGF COc1ccccc1N1CCN(Cc2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)CC1 653776592 ZOJSNRSIIXYBIK-XDDIGPDNSA-N 564.723 5.604 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@@]1(CBr)c1cccc(-c2ncc(C(F)(F)F)cc2Cl)c1 962374151 NZOBECAIPNDYJQ-RUZDIDTESA-N 580.901 7.518 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(c3cc(Br)cc(F)c3C[C@@H]1Br)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683496 YOGZRXYKLLQESN-AHWVRZQESA-N 643.269 6.886 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(C3=C(NC(C)=C(C#N)[C@H]3c3ccc(Cl)cc3)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683526 YSTGEVXKPDFLRZ-GOJCVTOHSA-N 668.115 8.227 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039151 UAAGADDDEUTGQD-UYHPJTEGSA-N 740.384 8.826 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCNC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@@H]43)C2)ccc1O 1772584438 MZPIEJCCARJMIS-VUUDKOCYSA-N 603.760 5.687 50 1 KKGF O=C(OCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O 1772642490 YESFOTZBCVVEIX-UHFFFAOYSA-O 541.648 6.979 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(C)s2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 1857533777 NSWSWPQSYVIFLJ-YUGRXSJHSA-N 593.569 6.217 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccsc2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857561018 ZUXDAZANGKORIH-LMWUAZJOSA-N 579.542 5.909 50 1 KKGF O=C(N/N=C1\S/C(=C\c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1)c1cc2ccccc2oc1=O 1857577833 ARAYTLMMNFVZHR-OPUGFCLASA-N 519.941 5.407 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3cnc4ccccc4c3)nn2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857742285 SDZTYLZDEULSPD-PDQGSOOBSA-N 697.877 6.423 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCOC(=O)CCCC[C@H]4CCSS4)c4ccccc34)[C@H]21 1857749418 WEPZDWYDGRJANV-MMTVBGGISA-N 535.735 6.046 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNc2cc(ccn2)[C@@H]1CCCO 2356293408 GXBUYGWJEJWZDV-GKZDSONJSA-N 634.864 7.439 50 1 KKGF CC(C)Cc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356363720 OURSFHMMLGSNOJ-AVQGPYJGSA-N 684.025 6.041 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC2(CCCC2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356367399 BURDDWVCGZLHHY-OSETWOCVSA-N 968.428 9.453 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356367983 HTDCFRQRHAKMBM-IBCWPQQHSA-N 827.160 6.460 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356686653 NVBDOYCAADZAEN-FSYICNPOSA-N 855.214 7.158 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C6=C7CCCC8(CCCC8)[C@@H]7C7=C8[C@H](CCC7)C[C@H]5[C@H](O)[C@H]86)[C@@]4(O)C3=CC(=O)[C@@H]12 2356694915 MUYMDMCGAMNAON-FAAMXXETSA-N 886.322 8.876 50 1 KKGF C[C@H]1CSSC[C@H]2C[C@H](Cc3cc(O)cc(c3)[C@@H]3CC[C@H](N1)c1ccccc13)C[C@@H]([C@@]1(C)C=CC[C@@H](C)C1)C2 2356777382 USBLETYKXZAUDL-ASVBMRRTSA-N 561.901 9.300 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C3CC[C@@H]4CCCC[C@]45C(=O)NC[C@@H]5[C@H]3C1)O2 2356809920 AUCHMNYEACTCCV-XNBRNVFLSA-N 960.090 5.592 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@@H](CCc4ccccc4)CC[C@@H](C3)CN2C[C@H]2[C@@H]3[C@H](CC[C@H]21)[C@@H]1C[C@H](O)[C@@H]2C[C@H](O)CC[C@]24CC=C[C@H]3[C@@H]14 2356849905 PNIKXJJBTIKUMB-RAAPNCAESA-N 754.159 9.142 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSSCNC9=CC(=C3CN9)[C@@]1(C2)[C@H]4[C@@](O)([C@@H]6O)[C@@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]7C8=O 2356865238 WJYRPPPWACXLQK-XTULGOSYSA-N 991.238 5.999 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3CC(=O)O)c2)cc1 27769120 SBKRXRBSYULDPT-UFHPHHKVSA-N 533.650 5.337 50 1 KKGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NCc2nc3ccc(Br)cc3c(=O)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 28873592 TZMLNHHPJAHFJW-RPBOFIJWSA-N 657.377 6.129 50 1 KKGF O=C(N/N=C/c1ccc(-c2cccs2)cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1 29561493 YUZNBYZTUSBUSR-WSHOCQNKSA-N 535.673 5.500 50 1 KKGF ClCCCn1nnc2c(Br)c(Br)c(Br)c(Br)c21 44306301 YGNYSDYBTQSGNF-UHFFFAOYSA-N 511.237 5.110 50 1 KKGF COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)N/N=C\c3ccccc3Cl)n2)c(OC)c1 49803418 RXFCRINETLIQNG-FDVSRXAVSA-N 522.392 6.290 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@@H](C)CCSS[C@H]1CC[C@@](c5cc(OCCC(C)C)c(O)c(OC)c5O)(O2)[C@H](O)[C@@H]31)C4 85567716 BAJBXSGMUXLKLI-RFAAERRTSA-N 708.939 8.648 50 1 KKGF biogenic,in-vitro COc1cc(C[C@@H]2[C@@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H](CNC5CCCCC5)[C@H](CCC(C)C)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 85595600 IWIQSYROYLFGFV-XVFSUYEHSA-N 850.194 7.694 50 1 KKGF biogenic,in-vitro C=C1CC[C@H](Br)C(C)(C)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 96085354 PSYSMHVCBGMCIW-FBHGCBBZSA-N 566.374 7.920 50 1 KKGF in-vitro CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(Cl)cc2Cl)C2=C1CCC2 103950623 RPFKKTSPXFAJJK-LJQANCHMSA-N 560.287 7.353 50 1 KKGF N#CC1=C(NS(=O)(=O)c2ccc(Br)cc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 150549936 YAOHEDMZVDZQQS-SANMLTNESA-N 708.443 5.728 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](CCSCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169303025 SONOEGJPRKBJAA-RXSNQSFTSA-N 622.865 7.001 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCC(=O)NCCCN3CCN(CCCNC(=O)CC[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169362829 JVHGAAKZMCRLRS-CQCULTFKSA-N 845.132 5.678 50 1 KKGF Cc1nc(C[P+](c2cccs2)(c2cccs2)c2cccs2)c(C[P+](c2cccs2)(c2cccs2)c2cccs2)c(CO)c1O 210391921 DXTHMGXCIKKMCA-UHFFFAOYSA-O 725.950 7.945 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1OC 587327309 OXBCWWAIQQITJR-XLJNKUFUSA-N 564.053 6.703 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H]2Br 587537183 BPBMSVXSVKAKBL-JAAJWPLKSA-N 522.233 5.687 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1OC 587543169 JQPMPCBYABAWEZ-QCENPCRXSA-N 548.035 6.166 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1F 587559832 ZKAQBEBZCFEWFE-GHTZIAJQSA-N 508.137 5.546 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)(C)C)cc1 587685759 AZCASCQUWRXHKB-OQRWROFFSA-N 517.914 7.310 50 1 KKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587686718 DLWNGOPWQYZNSQ-JNHXJRNOSA-N 504.827 6.363 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 587723414 WRVUMZPEVNCECK-HUTHGQBESA-N 515.114 5.799 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(I)c2)N1 587736792 BZHUVTZENLMDCG-BMLIUANNSA-N 539.024 5.366 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CCCBr)(c2ccc(F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962476125 RPRCQKURRBLQRW-CPBHLAHYSA-N 615.499 6.900 50 1 KKGF O=C(NN[C@@H](c1ccccc1)[C@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21)c1ccccc1 962955997 OAXZLPFPZHEYCB-BZKUTMRRSA-N 571.643 6.276 50 1 KKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)c2ccsc2CCN1Cc1cccnc1 962996256 HYZUGQPMBSPABY-DEOSSOPVSA-N 517.667 6.925 50 1 KKGF CC#C[C@@]1([C@H](C)O[Si](C)(C)C(C)(C)C)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963032459 JLGLSMNPLLQEQD-CDXYPVDOSA-N 631.792 7.854 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](c2ccc(OCC(=O)O)cc2)([C@@H](C)Br)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947130 KVNFYLOTBZZMBA-XKXHOPFISA-N 746.746 5.314 50 1 KKGF O=C(/C=C/c1ccc(O)c(O)c1)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1772582136 QCDZJBGDTILNEE-UHFFFAOYSA-O 580.729 7.342 50 1 KKGF Cc1cn([C@@H]2C[C@H](C3(c4ccc(NC(=O)CCCCC(=O)NO)cc4)SCCCS3)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 1857755749 KJTGZLBZRSTGCL-OARDWFSCSA-N 692.977 5.910 50 1 KKGF CCC[C@@H]1[C@H]2CC[C@@H]3C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356358498 PZJRDUHNJQSFCY-FBIIHJDJSA-N 856.167 9.842 50 1 KKGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)CC2=C(Br)C[C@H](Br)[C@@]1(C)O2 2356409331 GDHGBLCXHRSFRM-FRJXZTPOSA-N 517.483 5.940 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@@H]1C[C@H](Br)C(C)(C)O[C@]1(C[C@H]1C(C)(C)[C@H](Br)CC[C@]1(C)O)C2=O 2356559335 GQSXTXLHELBDSQ-YXALCVMOSA-N 602.360 5.443 50 1 KKGF CNCC[C@]1(O)C[C@H]2C=C[C@H](CCO)[C@@H](C2=C(C)C=O)[C@]12CC[C@@H](C(=CC=CC(CCC=C(C)C)=C1CCCCC1)CO)[C@H]2O 2356690977 SIYGGKVWCZSLRK-PUDSQXNHSA-N 621.903 6.286 50 1 KKGF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@H]5CC[C@]6(C)[C@H]([C@@H](C)C=C[C@H](C)C(C)C)CC[C@H]6[C@]56C=C[C@@]3(C2)OO6)O[C@H]1O4 2356717105 HCBLZWNIJGQSSM-JMEBOLEESA-N 782.971 9.729 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@H](CC=C[C@@H](O)CC2CCCCC2)CC[C@H]1CCN 2356759212 SFOTXCCFEKQWQY-NAFSWAHTSA-N 682.049 8.710 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H]4c5cccc(c5)CSSC[C@@H](CC5=C6C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]62CC5=O)C[C@]31NC(=N)NC[C@H]41 2356777684 BNYHKIVHSSVGSC-PJYHYDRNSA-N 714.101 7.175 50 1 KKGF CCC=CCC=CC=CC=CC=C[C@@H]1OC(=O)CC[C@H](Cl)C=C[C@H](O)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O[C@@H]2C[C@H](C)[C@H](O[C@@H]3CC[C@H](C)[C@H](O)O3)[C@@H](C)O2)[C@H](C)O1 2356791085 GJUOJLYCKBKRHR-PYCKSRENSA-N 765.381 6.311 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(C[C@H]([C@@H]3CNC(=O)C3)CC[C@H]1CNC1CCCCC1)O2 2356812177 BSKMDYANXNNYHA-KYHJPIQSSA-N 979.137 5.014 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@]4(C=O)OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCCCc6ccccc6C=CC5)CNC[C@@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356819885 FGAWZSLQHORRCI-INGLMTLZSA-N 936.074 5.619 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@@]23CCC[C@@H]2C=Cc2cncn23)SSC1 2356831149 JMMRSLJAGPIWRQ-XBOFURRISA-N 646.879 6.172 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CCC7(CCCC7)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(C)=C2OC)[C@@H]4C)c1 2356861278 UHIADCSWPPTJSQ-OEWKDJAKSA-N 748.108 9.771 50 1 KKGF CCCC(=O)Nc1cc(/C=C/C(=O)Nc2cc(C(=O)Nc3ccc(N(CCCl)CCCl)cc3)n(C)c2)n(C)c1 27525383 FGBVHBXUJNHIMQ-ZHACJKMWSA-N 573.525 5.290 50 1 KKGF COc1ccc(C2=C(c3ccc(NCCCCCC(=O)OC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)cc3)C(=O)N3CCC[C@@H]3C2)cc1 49949645 RMRQOYSJCXMYMU-RMYVIZGWSA-N 674.864 5.769 50 1 KKGF COc1cc2c(OCCCCCBr)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3 98084321 PSHPSKHZVAIJJL-UHFFFAOYSA-N 529.383 5.867 50 1 KKGF Cc1cc(-c2cccc(OC(F)(F)[C@H](F)Cl)c2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103201846 SERDHDRFERROCQ-NRFANRHFSA-N 516.347 7.485 50 1 KKGF C[C@H]1C=C/C(=C\C[C@@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)[c-](-c6ccc(O)cc6)c(C(N)=O)[o+]c5c4)O[C@H](C(=O)O)[C@@H](O)[C@]3(C=O)OCSSC[C@@H]2C2=C[CH+]N=C2)c2ccccc21 150343945 IRWIJZNWKUAJMA-XPXUKCQFSA-O 923.055 5.629 50 1 KKGF biogenic,in-vitro O=C1[C@H](Cl)[C@H](c2ccc(O)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586981 ATOREEIPCPXFIJ-CWTKIQHKSA-N 746.876 9.190 50 1 KKGF CCCCCCCCCCC[C@@H](C[C@H]1[C@H](CCCCCC)C(=O)N1OCc1ccccc1)O[Si](C)(C)C(C)(C)C 169870089 MQPVFNRUMDNXDR-ZDCRTTOTSA-N 573.979 10.617 50 1 KKGF COc1ccc(/C=C(/C(=O)c2cc(OC)c(OC)c(OC)c2)c2ccccc2O)cc1O[Si](C)(C)C(C)(C)C 195256592 VFTFYMVWXUWAJY-XQNSMLJCSA-N 550.724 7.234 50 1 KKGF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)CC1 586956606 FBMHNYVOZJVJRE-UHFFFAOYSA-N 589.406 5.503 50 1 KKGF Cn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587328449 UMQXGYADGKZXBP-JOMNFKBKSA-N 511.980 7.183 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587496969 BBCAAFRCKPILEG-MHZLTWQESA-N 524.842 6.461 50 1 KKGF O=C(CCl)c1ccc2c(c1)-c1cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc1C2 587542491 HFUSGCHIUUMMDV-POURPWNDSA-N 531.391 6.481 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3)c(CCCl)c2c1 587621739 YVGVGBKMJGLIFJ-UHFFFAOYSA-N 503.939 5.473 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 587683689 VTENZHXYWGJSOL-ZLOXQWCVSA-N 540.702 6.775 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H](NC(=O)OC(C)(C)C)C[C@H]2Br)N1 587687268 YSWPJSXJGBLFFM-POLMBAAHSA-N 506.254 5.158 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587959719 NLWXNWWBBBATPE-RCHUDCCISA-N 528.675 11.075 50 1 KKGF C[C@@H]1CC2=C([C@@H](c3ccc4c(c3)OCO4)C(C#N)=C(N)O2)[C@@]2(C1)c1ccncc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962403840 LWXUHCOIJCEUNH-SGKXNTDISA-N 694.744 6.458 50 1 KKGF COc1cccc([C@@H]2C(C#N)=C(C)NC3=C2[C@]2(CC(C)(C)C3)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c1 962633344 LVPLJGLCPQMLIR-ZLZBJJAKSA-N 553.581 5.647 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@@H](C)O3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677863 MWDKZNCOQVPYNK-WVDZOPJMSA-N 619.434 5.779 50 1 KKGF N#CC1=C(N)OC2=C(OC(CO)=C[C@@]23c2ccsc2CCN3Cc2ccco2)[C@@H]1c1cccc(C(F)(F)F)c1 962704448 GXJQZWLVDWWNKH-YIXXDRMTSA-N 553.562 5.239 50 1 KKGF CO[C@@H]([C@H](O)C[C@]1([C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]2O[C@@]3(CC[C@@H]2C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O3)NCCc2nc3ccccn3c21)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 962992081 WXMZNRBEAOARJM-SVBIUEATSA-N 910.159 5.905 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CBr)(c2cc(Br)c(OC(F)(F)F)c([N+](=O)[O-])c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963230865 IYBASVIGBFYTAN-ZOYWYXQUSA-N 882.349 7.677 50 1 KKGF CCOC(=O)C[C@H](Br)[C@]1(C)c2cc(O)ccc2C[C@@H](C(=O)OC)N1C(=O)OCC1c2ccccc2-c2ccccc21 963378583 GWFQPPQRNFJROG-HPSLPFNASA-N 622.512 5.673 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c1 963547305 BBSXPBFOFUCTBG-RRHRGVEJSA-N 715.756 8.439 50 1 KKGF Cc1cccc2c1[C@](CBr)(c1cccc(F)c1Cl)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863029 MKJYZWNOBJMYBZ-GYCJOSAFSA-N 526.830 6.063 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](C)([C@@H](Cl)C(=O)Nc2ccccc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948321 SHDPDCINCUVJHB-UREWFXHCSA-N 671.285 5.285 50 1 KKGF Cc1ccc2c3c([nH]c2c1)C1=C(C#N)C(=O)N[C@]1([C@H]1c2ccccc2-c2nc4cc(C)c(C)cc4nc21)CC3 1857639039 GYJHRAVHEFCSIX-CMVGPNDKSA-N 507.597 5.941 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4)cc23)cc1 1857745857 SGFQSOFPQOAGPC-IOHLRWCLSA-N 628.736 7.666 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@H]1SS[C@H]3CCC[C@@H](CC[C@H]4Cc5c(c(OC)cc6c5[C@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 2356366519 KUXUQRRZGJUVTH-DPGSIHJTSA-N 672.865 7.671 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(CSSC[C@@H]7CCC[C@H](CO)[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@@]7(O)C3=CC6=O)[C@@]54C 2356372906 OOUPMYNYCUSDLH-UWZIMKRASA-N 904.245 6.773 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CCC[C@H]2CN(CCCOC)CC[C@@H]21)C4 2356373168 TXTQSCGHVWITIU-GZAFFPNCSA-N 838.995 5.486 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@H]12 2356400167 RTYDIEHCGAISFJ-JNZNVAMQSA-N 692.978 9.298 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@H](C2CCCC2)Cc2cccc(c2)C1 2356429570 ABNPPIOWWRSWNX-ZUILVPIOSA-N 729.059 6.713 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356435039 PEGCHNAPBMVFEK-FOLZNENOSA-N 859.202 6.679 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1cccc(CO)c1 2356443983 GCYFHEDPPVNSBY-RMKNPXNASA-N 673.897 8.240 50 1 KKGF C[C@H](O)CNC[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC7CCCCC7)[C@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2CC[C@@H]2CCC[C@@H]21 2356455348 PDLRXGFFICXRSU-GTYOTDRWSA-N 991.463 9.429 50 1 KKGF C[C@H](O)CNC[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC7CCCCC7)[C@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2CC[C@H]2CCC[C@@H]12 2356455350 PDLRXGFFICXRSU-MDGDCIRESA-N 991.463 9.429 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@@H]([C@@](C)(O)C1CCCC1)C3 2356656865 MOALTLJMJPQLAL-YEFUCVGBSA-N 655.744 5.612 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@H](O)C5 2356727708 PGBGECXYHSPSPK-OBIHHXBMSA-N 878.251 8.169 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356769635 KATCNOIIRBNKPJ-VIIRQGPXSA-N 913.304 10.234 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1[C@H]2CCC[C@]3(O)CCC(=C(C)C=O)[C@H](CCCO)[C@@]3(C2)[C@H]1O)CCC=C(C)C 2356775134 HYNPLMAIRBIORJ-YBEDAUBBSA-N 512.731 5.360 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@@H]([C@@]2(n3ccnc3)CCC3(CCCC3)C2)SSC1 2356811583 BPODPCJYUWYCOD-DIZBMNHISA-N 676.949 7.089 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356813457 CHBSJNZVPZQNBT-XHZAIWBZSA-N 991.330 8.302 50 1 KKGF CC(=O)Oc1c(Br)ccc2cc(C(Br)Br)c(C(=O)c3ccccc3)nc12 1628652 MWPNXALXXPXCAO-UHFFFAOYSA-N 542.021 5.942 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CC(=O)O)C(=O)O)c2)cc1 27762337 CCLWDTMZDZRMLS-BOCWGRARSA-N 591.686 5.180 50 1 KKGF COc1ccccc1CNCCCCCCCCNCCSSCCNCCCCCCCCNCc1ccccc1OC 29548957 SDCYLLCLJLCSBD-UHFFFAOYSA-N 647.052 7.825 50 1 KKGF C=C(c1ccc(OCCOc2ccc(C(=C)[C@@H]3COC4(CCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCC2)OO1 44387127 KGMZPHIRNGUERY-RNPORBBMSA-N 550.648 6.405 50 1 KKGF CCCNCCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 49952201 GJJCSCGFBPISGV-BDXZXWPNSA-N 647.894 7.411 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(N)=O)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 58602174 OWQBFKFZINYBFL-AAHPRULMSA-N 647.850 6.533 50 1 KKGF Cc1cc(Br)cc(C(=O)NNCc2ccc(Cl)cc2Cl)c1NC(=O)C(C)(C)CCl 103208661 RHTPTJFVMORXDG-UHFFFAOYSA-N 521.670 5.702 50 1 KKGF CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1F 103217079 CEJZIJWDLSAISU-DHJMZRGKSA-N 610.641 5.434 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(Br)o2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 150535486 UXDUVXYQKPADPT-ZPEGDHPZSA-N 642.370 6.203 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC3(C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)COC4(CCC(=O)CC4)O3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169365538 SLTNAQLXRXYBFK-FJUXWMCTSA-N 716.909 6.893 50 1 KKGF O=C(Nc1ccn([C@@H]2C[C@@H](I)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)n1)c1ccccc1 195464360 OLTSJGCPXISYSI-FUWNPBJGSA-N 683.546 6.595 50 1 KKGF CCC[C@@H]1OCc2c(C[P+](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)c(C[P+](c3ccc(C)cc3)(c3ccc(C)cc3)c3ccc(C)cc3)nc(C)c2O1 210368435 JDKQZTJLALNUNG-AXAMJWTMSA-N 828.030 11.264 50 1 KKGF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586932715 DKEAHELUMQMTAK-UHFFFAOYSA-N 560.526 5.964 50 1 KKGF CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(S(F)(F)(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 587040082 WGPCJCSSBBCVLT-LBPRGKRZSA-N 631.490 9.542 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189247 AGPUVAJFMZSGDY-IROVJIRSSA-N 624.754 6.642 50 1 KKGF COc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587189440 BXJHUUSFEPDXJG-JAJUVVLESA-N 591.793 6.603 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 587714834 BSMMDJZGNXYPSD-RBHXEPJQSA-N 500.008 6.207 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850167 XSVFVIHBTQMAKJ-QPFGOUBPSA-N 556.089 5.330 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CCl)(C(Cl)Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 962565996 DOVJQBLCEMSTID-QFQXNSOFSA-N 531.823 5.580 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)NCCc2nc3ccccn3c21 962984411 DCPLFIOEDAILHI-FUBXFSNQSA-N 667.945 6.370 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc(Br)sc2Br)N1C(=O)c1ccc(Cl)cc1 963002699 DIPBXVDFVIELFZ-MHECFPHRSA-N 643.184 7.042 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCCCCCl)(c2ccccc2)N1 963179773 ZSIQXBDJUKCCHY-YFXFWNCGSA-N 630.232 8.010 50 1 KKGF Cc1cccc2c1[C@](CBr)(C1CCC(F)(F)CC1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963841045 GENKQDIULUIFRP-KOSHJBKYSA-N 516.423 6.047 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1OC 1772624655 MBKXDHRXJVGZBV-QHCPKHFHSA-N 528.449 5.680 50 1 KKGF CCc1cc2c([nH]c1=N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@@H](C2)C4)Cc2cc(O)cc(OC)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 2356300554 MZHWXVPSWNGRSE-XTHPJGEUSA-N 912.187 9.354 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@H](CSSCO4)[C@H]56)[C@H](O)[C@@H]3O)cc(C(=O)O)cc2c1O 2356350552 FALDAHZBXHSRNO-UYDHDORBSA-N 784.946 5.458 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@@H]([C@H](O)[C@H]64)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@H](C)O 2356354581 MZGQAWCADDXVMG-XBLNLZQYSA-N 947.366 6.384 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@H]2O)O3)c1O 2356356387 ASQKOBKAUPTOPZ-AAVCBNPLSA-N 766.975 7.441 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]41CCC[C@H]5[C@H](O)[C@H](O)C1 2356361302 YLFPSYKZMMZICJ-HYXFMLSUSA-N 850.197 7.389 50 1 KKGF CNCC(CNC)Oc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@@H]4COC(C)=O 2356563618 KUMNHAHFQRFUCR-CQUPSJMFSA-N 638.808 5.275 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@@H](CC=CCCC2CCCCC2)CC[C@H]1CCN 2356644329 BKMFVVWBAITYIA-CGGSDMERSA-N 696.076 9.231 50 1 KKGF CCCCCCCC(=O)OCCC=C[C@H](Cl)[C@H](O)[C@@H]1OC(=O)C=CC=Cc2nc(oc2C)C=C(C)CC[C@@H]2O[C@@H]2[C@@H]1OC(=O)NC(C)=O 2356692216 NUFYUEFOFGVVLM-QLJOKMNMSA-N 691.218 5.888 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@@H]5CC=C[C@@H]4O[C@H]3C[C@@H]2O1 2356695779 WTXGTTBOKVQBGS-CQXYEHGGSA-N 881.069 5.082 50 1 KKGF C=CCCCCCCCCC[P@@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 73369729 VNESALLUNPJGSF-KXQOOQHDSA-N 544.669 6.128 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl 82181782 DNHUTNVBMVSVOB-ZRZAMGCNSA-N 705.639 7.310 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl 82185647 WBNASTOCKPVIEC-OYRHEFFESA-N 677.585 6.530 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H](/C=C/S(=O)(=O)c4ccccc4)Cc4ccccc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95547956 WFWNUPUMGDGOIN-WCRAYLTISA-N 835.032 7.467 50 1 KKGF Cc1c(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc2n1C[C@H]1CCCN1C(=O)/C(C#N)=C\C(C)(C)N(C)C 148855552 MGOWUKVRTVSTIO-IURUZKCNSA-N 563.706 5.562 50 1 KKGF O=C(CBr)Nc1ccccc1Cn1c2c(c3ccccc31)C[C@@]1(O)[C@@H]3Cc4ccc(O)c5c4[C@]1(CCN3CC1CC1)[C@H]2O5 169364990 GBXBARRNQZEHCA-TVXNHBSRSA-N 640.578 5.428 50 1 KKGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(=O)CCCCCCC/C=C/C/C=C/CCCCC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238768472 YNJVOZLZBOSBDI-XOPJJBJUSA-N 640.858 7.605 50 1 KKGF C=C(c1ccc(F)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 253918759 ZYNDZWJYJYLFBP-RDNOUCSISA-N 540.716 7.099 50 1 KKGF COc1cc(NC(=S)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc(OC)c1OC 299823285 DTWOLCIIVGMQSD-UHFFFAOYSA-N 546.693 5.360 50 1 KKGF CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccccc6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 299846573 FSAFQWKCRDKTMC-VQIPAFELSA-N 942.076 5.026 50 1 KKGF COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1OC 587055422 BTEJJVQBDWZZEM-UHFFFAOYSA-N 533.906 7.810 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccc(I)c(I)c3)nc2c1 587178583 FXNKRWUMJOWWTC-UHFFFAOYSA-N 650.974 7.859 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190460 LAPTVJAHAWAYJJ-NLRLBUSZSA-N 632.192 7.526 50 1 KKGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@H](C)Cl)c(Cl)cc41)[C@@H](C2)C3=O 587419766 ZKQRSQMLKGFPMS-KPDLRTPNSA-N 508.357 5.150 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)(C)C 587607228 LLAQXJTWDMRGEU-BUZXVGNNSA-N 786.990 11.061 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587688672 MZBRZJNPEWXCCX-PLZPTFKGSA-N 500.839 6.473 50 1 KKGF CC(=O)Oc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@@H](Br)[C@@]4(c5ncccc5C[C@H](C(=O)O)N4C(=O)OCC4c5ccccc5-c5ccccc54)[C@@]3(C)CC[C@@H]21 962574134 PFVBODUOBFTSBM-WKOBCSHJSA-N 761.713 8.392 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccc(Cl)cc1 962691164 BFLLAUFRPAHAFZ-FYYLOGMGSA-N 515.334 5.987 50 1 KKGF CCc1ccc([C@]2(CCBr)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963015446 UDOATGKEPBUFAY-VAVYLYDRSA-N 565.895 6.564 50 1 KKGF O=Cc1cc([C@@]2(CBr)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1O 963032210 HMUGCERWQOKAFH-SYBRLPANSA-N 648.456 6.382 50 1 KKGF Cc1ccc(S(=O)(=O)C[C@@]2(CBr)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963074118 LNUKEPZLWZVNDH-UMBAWLCISA-N 846.689 8.016 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](c2ccccc2)(C(Cl)Cl)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963086584 AQXRQFYXPCEUAP-IKYOIFQTSA-N 578.539 8.037 50 1 KKGF CC1=C([C@@]2(CCl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 963578656 GZJSNGQHWBFXNE-LFNHKIGNSA-N 762.244 8.089 50 1 KKGF Cc1cccc2c1N(Cc1ccccc1)C(=O)[C@@]21C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857549439 FOSYMCGUNYBRSD-UUWRZZSWSA-N 553.574 5.393 50 1 KKGF CC1(C)CC(C)(C)c2cc(NC(=S)NNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc2S1 1857556312 DCWRLPZLLPUQKB-UHFFFAOYSA-N 535.579 6.908 50 1 KKGF COC(=O)/C(C#N)=C\c1cccc(OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c1 1857614174 ZHLJWBIOTCOQKM-PLSOTJJPSA-N 693.881 8.705 50 1 KKGF O=C(OCCCCOc1ccc(-c2cc(=O)c3c(O)c(O)c(O)cc3o2)cc1)c1ccc(N(CCCl)CCCl)cc1 1857649231 PBWVXSROBGWFAL-UHFFFAOYSA-N 602.467 5.877 50 1 KKGF O=C(CCl)Nc1ccc(-n2nc(OCCc3ccccc3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857752561 IMVKQLPDMSYMEB-UHFFFAOYSA-N 501.801 6.040 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCC4CCC(CC4)[C@@H](CC1)[C@H](O)C2)CC3=O 2356298527 JJMUCYRTZKBBSW-ISASYIRHSA-N 981.383 9.678 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](C2(c3ccccc3)CCCC2)SSC1 2356321240 ADDZEYWFGPEXIB-PBUKZNKTSA-N 630.876 8.265 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@@](O)(CCCCO)C2CCN(CCCOC)CC2)O3)O1 2356355501 GFCXWUAMWTUQBH-FXZMARIBSA-N 899.091 6.235 50 1 KKGF C[C@@H]1CC=C[C@]2(CCC[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@]5(C)CC[C@@H](SSC5)[C@@H](C4)C[C@H]32)C1 2356357115 OWJFWYLNLZLJIG-OOVBFUKNSA-N 587.939 9.346 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c3c(c2)O[C@@]2(CNC)C[C@@H](CC#CO3)[C@@H](C[C@H](O)OC)C2)N1 2356363688 LPSIYRVPKJUBGM-DYOLLNJZSA-N 833.130 7.559 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@H]5O)C1(C#CO2)CCCC1 2356366416 HWHPXBFDJJMEAV-BGMXHINISA-N 805.079 8.090 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356488164 BEISPNOEMNORKO-DZDRBTOQSA-N 851.097 6.719 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)CC[C@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356508992 XRUJBDXOZFJXHA-PTNKFMOISA-N 875.074 9.491 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@H](C)CSS[C@@H]5C=C[C@@]3(C[C@H]5C4)[C@@]3(C=CC[C@@H](C)C3)C2)CC12CCCC2 2356557549 SGXIRDFTQZNOOT-AKARGZNJSA-N 737.176 10.908 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@]47CCC[C@H]4C[C@H]6CC7)C[C@H]1CC[C@H]3C2)C5 2356636865 YHUMZGPGMULWCL-WYYCLSKZSA-N 993.434 11.655 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@@H](NC1CCCC1)c1cccc(O)c1)CC(=O)CC2 2356656304 QPGKXWUIYZZOFK-IMFBIXIZSA-N 687.924 9.206 50 1 KKGF CCC1=CC2=C(C#CCc3c(CNC)c(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OC)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@@H]2O4)C3)N[C@H]1N 2356816611 DDDHUVIPEYAIHK-QTMOXHQUSA-N 957.272 8.982 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356839597 LWFYZARFDBSVPL-CETYTNKOSA-N 840.205 10.079 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1CCC3=C4C=C(NCSSC[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@@]6(CO)C=C[C@H]([C@@]41C2)[C@](O)([C@@H]6O)[C@H]5O)NC3 2356867562 WSZSTPHGWUMDFW-VDGVLASXSA-N 977.211 5.919 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccc(-c2ccccc2)cc1)OCc1ccccc1 84619293 SXVZONWVMNOAAL-PMERELPUSA-N 585.795 8.373 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@@H]4[C@H]2O)O3)c1O 85567650 UHANFPKXFLDAAG-JZDDHEFESA-N 768.991 7.544 50 1 KKGF biogenic,in-vitro CCN(CCCNC1=CC(=O)C(NCCCCCCNC(=O)CCCC[C@@H]2CCSS2)=CC1=O)Cc1ccccc1OC 101284244 BLZFNCXLVXSHTJ-HHHXNRCGSA-N 630.921 5.397 50 1 KKGF COC(=O)[C@H]1CCCN1C(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 103231905 WQGKVSPROSNKTG-HURRFZMMSA-N 602.816 6.370 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO[P@@](=O)(O)C(=O)OCc2ccccc2)c1=O 170056893 DDYSDFLNIDNUQI-NEZSZOIJSA-N 846.054 5.456 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 299820320 KWGXYYDWZMLXGP-CJNDYABLSA-N 648.834 6.831 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)Nc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1 299839867 ZSZBBZVCUZNNLU-UVHMKAGCSA-N 632.338 5.581 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc(-c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)c1C 587365291 LAJZOWOHSNNXGW-UHFFFAOYSA-N 535.021 7.048 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)O2 587381636 KRUUHWJHYFYTSH-KRWDZBQOSA-N 512.000 6.000 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)CC2=O 587497355 VSSVGHRXWJGNLA-FPYOTAMTSA-N 580.190 7.915 50 1 KKGF O=C1C[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)Oc2c1ccc1c2CCCC1 587499593 NSSJIEMHDQYDDZ-PMERELPUSA-N 544.445 6.654 50 1 KKGF O=C1C[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587505874 IWGLPTCGZJNDBG-FQEVSTJZSA-N 518.167 6.602 50 1 KKGF COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686713 DLWNGOPWQYZNSQ-CPKIHRHESA-N 504.827 6.363 50 1 KKGF CO[C@@H]([C@H](O)C[C@]1([C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]2O[C@@]3(CC[C@@H]2C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O3)N[C@@H](C)Cc2cc(Br)c(F)cc21)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587834343 QXHHFLAJZWVVIN-BFTQFURHSA-N 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KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356354721 PIVIAJMETAGOJR-RKCUFTABSA-N 957.265 9.124 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356368573 MNDPPNUNOUVVQQ-OONNGMTOSA-N 964.396 8.971 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c4c2OC[C@H](CO)CCc2cc5[nH]ccc5cc2[C@H]2CC(=C4C(C=O)=C(C(=O)OCC)O3)C[C@@H](CO)C2=O)O1 2356382803 OKWIZRAXJQELQU-DFGFNCEQSA-N 771.904 5.536 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=C[C@H]3C=C[C@@]4(CCC[C@@H]5[C@H](O)C[C@@H]6CCC[C@@H]6CSSC[C@@H]3N54)[C@@H]2[C@H]1C 2356404659 TZMJIDYEPWGRRX-MCGCTDRQSA-N 557.778 5.565 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356644785 TTZBYHZGYZZKRC-OOUTVRQASA-N 902.226 7.018 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC1(CCCCC1)[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356768331 OKHULJAVBCFWEW-FHLKFLLLSA-N 668.022 8.337 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CCC6(CCCC6)[C@@H]5O)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356779533 VGORGWHFVNVLNK-KTFPXHETSA-N 972.273 5.718 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356815361 CQICSDPGELOJQB-NGAVHXQLSA-N 985.415 9.916 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@@H](C2(n3ccnc3)CCCCC2)SSC1 2356818356 DTANCNDDJGWORP-UMJMCJBLSA-N 636.884 6.309 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@H]([C@@H](CO)Cc4ccccc4)C#C[C@@H]3C=C12 2356855207 RAMYLEPIGAOZCI-CGBXTROCSA-N 910.256 6.776 50 1 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(C3CCCCC3)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126744 OSZCHXOPUIXZNT-UHFFFAOYSA-N 577.729 6.270 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 84587998 MUXJJJPBOCHQGG-KPGMTVGESA-N 651.746 7.387 50 1 KKGF C[C@@H]1C[C@]2(C[C@@H](C)[C@@H]3[C@@H](C[C@]4(C)[C@@H]5CC[C@@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O 103129263 KYSAZQMUXWZIQI-HDPQQCMMSA-N 514.659 5.264 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H](c2cccc(O)c2)SSC1 103529738 ZEFUYPXEFILTJV-GHQHYSNESA-N 604.794 7.212 50 1 KKGF biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@@](C)(O)[C@@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 153825267 LCUTYJNSPXSBGY-DKNBRBIFSA-N 713.141 12.644 50 1 KKGF CCC[C@@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169361495 ZHVQBIHGGSQOSC-MGRQTLRUSA-N 590.710 5.324 50 1 KKGF COc1cc([C@@H]2c3cc4c(cc3[C@H](O[Si](C)(C)C(C)(C)C)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 194954588 RKDMQBDZYQYJGX-PVUOONDNSA-N 528.674 5.439 50 1 KKGF COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3C=C(C=O)CCC=C(C)CCC=C(C)C3)cc3c(c12)OCO3 253670917 CNCKKGCRDGSHDH-JOCHJYFZSA-N 557.599 7.146 50 1 KKGF C=C(C)[C@H](CC[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21)OO 255261452 QRFKWBARTXTCMY-MIAFTADVSA-N 500.676 5.498 50 1 KKGF CC(C)Oc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587190148 IGWOIAHZMIHHEL-YGTLLUSESA-N 619.847 7.382 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)cccc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587334787 YYFGTDHJDYEPBM-KNQAVFIVSA-N 513.256 6.339 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)O2 587415351 RJSPVGXBRKIQBS-MYGHRHJXSA-N 551.152 7.147 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)c1ccccc1C2=O 587497592 JHCZQLPOECGOCE-WNNBVUDTSA-N 520.412 6.238 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sc(=NS(=O)(=O)c2ccccc2)n(CCCCl)c1Cl 587607534 MYMISAULOINGNJ-OFNKIYASSA-N 591.494 5.530 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 587709103 IANIOCKQZATEDJ-DYEAUMGKSA-N 533.930 5.631 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(F)(F)F)cc1 587710827 FOMJDCJENKJOMO-NPMABZOXSA-N 529.803 7.031 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)N[C@H](C)Cc3cc(Br)c(F)cc35)[C@@H]2C1 587718397 NVDZRMLFZHOYAV-JRIXZXSBSA-N 606.979 6.854 50 1 KKGF COc1cc2c(cc1OC)[C@]1(/C(=C(/C)NNC(=O)c3ccncc3)C(=O)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673935 LKAVZMCVKWXGNM-PIWQSHERSA-N 642.634 5.465 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1c([N+](=O)[O-])cccc1C(F)(F)F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962706926 MTFMRZMUCUDYSY-RUZDIDTESA-N 647.366 6.987 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc(OC(F)F)cc1)[C@H](Cl)C(=O)c1ccc(OC(F)F)cc1 963028072 BZRATSRVSSCQJA-GGXMVOPNSA-N 574.958 6.326 50 1 KKGF C[C@@H](O[Si](C)(C)C(C)(C)C)c1ncc([C@@H]2c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)s1 963219724 UHPPFICRUVDPRU-NQQLMUNRSA-N 746.871 8.098 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1ccccc1C(F)(F)F 963905687 ZTAJXEMKHXJWST-MZNJEOGPSA-N 542.392 6.289 50 1 KKGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)c1cc(C(C)(C)C)nn1Cc1cccc(C)c1 1857562254 DFFPGPQFYXXQPX-FJEPWZHXSA-N 520.033 5.613 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCCN2CCN(Cc3ccccc3)CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857613236 LRRPQZHJLSKUNY-BQCHXNBLSA-N 691.954 5.912 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCO)CSSCO4)[C@@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356352827 CEDKDQGGHXWARL-XAZBWXIRSA-N 786.962 5.115 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356386347 FQRBGDPTIPPRPR-BLTGOIEGSA-N 729.062 6.286 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C(=O)Cc2cccc4c2CC(=O)N[C@@H]4N)CC[C@]3(C)O)CO[C@H]2C#CCC(=CC[C@@H]1NCC)CCSSC2 2356671957 QKKJNHHSYPGFDU-RICOLGPNSA-N 830.170 6.346 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NC[C@@H](Cc4ccccc4)[C@](Cn4ccnc4)(SSC1)C3=C2 2356842308 MMWDDLWXXCSZLA-XMAMJTEPSA-N 684.928 6.523 50 1 KKGF CC(=O)Oc1ccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4ccc(OC(C)=O)cc4n3C)n(C)c2c1 26169112 YEPYWZKAUTZXSJ-UHFFFAOYSA-N 678.792 7.825 50 1 KKGF Cc1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(Cl)c(OCCBr)oc(=O)c3c2)c1 27633896 KPALYBSAMQJRGQ-QHCPKHFHSA-N 583.866 5.508 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3cccc(Br)c3)cc1)C2 64549844 YIDMFGMHCCVDOG-KVAAJVFYSA-N 621.963 6.559 50 1 KKGF CN[C@@H](Cc1ccc(O)cc1)O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 85597420 AEOMGZSKJYCRDS-ANHUGMMASA-N 647.859 7.763 50 1 KKGF biogenic,in-vitro CCCCCCCCCCCCCCCCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 95540098 VRWNDLFXPLCLMK-DMLVAQDSSA-N 809.998 5.776 50 1 KKGF C=C(/C=C/C=C(/CO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@@](C)(O)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C 103574856 LPOOTXOHIQWMRZ-BHQRTGLKSA-N 512.731 5.504 50 1 KKGF biogenic,in-vitro CC(=O)O[C@]12C[C@@H]3CC[C@H]1Cc1cc(c(O)c4c1CC[C@@H]1CCC[C@@H]1O4)CN1C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H]3[C@H](O)C2)CC1=O 150348617 LSPCJQXLIQFFCN-YZOHKQGHSA-N 957.361 9.156 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(-c2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(O)c3[nH]c(C(F)(F)F)c(C(=O)OC)c43)cc2)cc1 150579944 MHHSOVCATGVYSK-CATWBWGFSA-N 955.692 10.103 50 1 KKGF COc1cc(CCCOC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc2cc(-c3ccc4c(c3)OCO4)oc12 150597044 DTEIBUZVJLMNRB-BHNRIMJTSA-N 692.758 6.844 50 1 KKGF C=C1C(=O)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O 195176133 UCSWREOOJFIEIX-SEYHKVGQSA-N 726.936 6.040 50 1 KKGF Fc1c(F)c(F)c([P+](Cc2ccc(Cc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4c(F)c(F)c(F)c(F)c4F)cc3)cc2)(c2ccccc2)c2ccccc2)c(F)c1F 195355164 ZNCLGVPFKRSIQS-UHFFFAOYSA-N 898.761 11.657 50 1 KKGF CO[C@@H]1O[C@H](CBr)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 195476028 ZJEJBLWGAZBXNH-QJWPDITLSA-N 984.043 13.885 50 1 KKGF Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(Cc4nc5ccc(S(F)(F)(F)(F)F)cc5[nH]4)c3n2)cnn1C 587130330 SGJOQKLOEIAQTN-UHFFFAOYSA-N 559.515 7.537 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(CBr)cc2)[C@H]1c1ccc(F)cc1 587319678 CNPVXVPWDQBJJN-GMAHTHKFSA-N 520.192 6.076 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(N3CCCC3=O)c2)[C@H]1c1ccc(F)cc1 587319850 DDNZXUJVHFGNNR-AZGAKELHSA-N 510.359 5.307 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2sccc2Br)[C@@H]1c1ccc(F)cc1 587376857 QHSFTWNVVIMAEF-YLJYHZDGSA-N 512.194 6.005 50 1 KKGF Cc1cc(C)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 587537632 JHCXXYZPBYKCQY-REWPJTCUSA-N 518.201 6.024 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587687458 GUCJOPHFXULACI-ODKGLIOUSA-N 500.839 6.473 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C(c1ccccc1)c1ccccc1 587689822 WSKVHCWLQRTHIK-ADSBAMQRSA-N 551.931 7.661 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587852728 ICJPPXAIYNHTJN-WHDAMIPWSA-N 595.365 7.275 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Cl)c(SSc2cc(Br)ccc2Cl)c1 587897211 WZBSECZDSDJGRD-UHFFFAOYSA-N 606.221 8.573 50 1 KKGF O=C(O)C[C@@H](Br)[C@]1(c2ccc(Br)cc2)c2ccsc2CCN1Cc1cccnc1 963010373 NHQWMPXQKNUSSQ-IRLDBZIGSA-N 536.289 5.446 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](c2c(Cl)cccc2Cl)(C(Cl)Cl)N1C(=O)c1ccc(Cl)cc1 963012113 ILHILUULMPZVHY-FQRUVTKNSA-N 582.698 7.327 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(C[C@H]3CC[C@]2(CCl)C3(C)C)N1 963175169 RTCMTNBIXXRKMO-PRVCFDTQSA-N 606.210 7.227 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@]2(C(C=O)=COc3ccccc32)N1C(=O)OCC1c2ccccc2-c2ccccc21 963376712 ADJFEMXMKCZMCF-ZJJOJAIXSA-N 573.601 5.460 50 1 KKGF Cn1cc(C(=O)CCl)cc1[C@]1(C(Cl)(Cl)Cl)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816859 HXIFDFOQBGWOOI-VWLOTQADSA-N 551.301 6.266 50 1 KKGF BrC[C@@]1(c2cc(-c3ccccc3)no2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816987 IXLPRKVYVNTLOH-NDEPHWFRSA-N 514.423 6.186 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)Cc6nnn(CCO[C@@H]7O[C@@H]8O[C@@]9(C)CC[C@H]%10[C@H](C)CC[C@@H]([C@H]7C)[C@]%108OO9)c6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1772600242 TXVLBXRSKXVMLA-ABQROVQISA-N 790.099 9.259 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@@H](CC=CCCC2CCCCC2)CC[C@@H]1CCN 2356322202 FTTANVCMIDYINC-NXAZODNTSA-N 666.050 9.739 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(C)O)CCC=C(C)C 2356349701 LWSGUNGOUFKFAD-YFRQEOJZSA-N 538.769 6.036 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356350540 DZQOMQKIJAGGDJ-RLZNGPEHSA-N 835.190 8.582 50 1 KKGF C[C@@]12CCSSC3(CCC4(CCCC4)CC3)[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356357239 RDUGIGDGYPQHKY-BRIBRTINSA-N 629.977 6.754 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC4CCCC4)C3)c2O)C12CCCC2 2356359072 CQAHCWKCVKJHEY-LISYZVNFSA-N 963.361 10.229 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1[C@@H]2C(=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]23C)[C@]2(O)[C@H]3CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]4CCC[C@H]1[C@@]2(C)[C@H]4C3 2356372301 BIEAIYVRUSCGOT-IFJOBGAQSA-N 908.329 7.553 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H]([C@H](CCc3ccccc3)SSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356419270 LVEXCXWMPTZWQP-OXGHSRRFSA-N 749.096 7.611 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356432844 OKKHNYIDVWNDBX-MUSGQICOSA-N 853.198 7.442 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356440253 SWCLCJACYNBTKI-QSRXDQNBSA-N 919.216 8.422 50 1 KKGF CCCCCCCC[C@@H]1CC2=C(C[C@@H](CCCC=CCOC(C)=O)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356496974 VBECZCIXKOXEHS-NHCUHLMSSA-N 532.630 5.289 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)CC[C@@H]4CCO)cc(Cc2cccc(O)c2)c1O 2356508991 XRUJBDXOZFJXHA-FDVHHETJSA-N 875.074 9.491 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)[C@H](CCCO)SS[C@H]5O 2356519958 TYGWZAMUBYOZNS-CDQGQBCSSA-N 958.290 5.039 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(C[C@H](CO)CCCO)CC7)[C@H](O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356624402 CFHNOLDBMDPFHI-QKWHAJPRSA-N 966.276 9.028 50 1 KKGF C=C1C[C@H]2CC=CC(=O)O[C@H]3[C@H](C)[C@@H](CC=Cc4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](C(C)=CC#N)[C@@H]3C 2356636184 YTQSRBIUUZXQQA-CUIDGJPQSA-N 578.706 5.534 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356773622 DVRVUVICZDUCTK-MDVUXIEQSA-N 914.336 8.140 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4N=CC=C4C3)[nH]c(=N)c1CSSCC[C@@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O 2356814732 CKTNMESDXWQQQU-MIYUYXAISA-N 823.998 5.197 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@H]43 2356816555 DCLDSGHNPOJCRL-KDXSQROMSA-N 857.108 5.363 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356833269 ZUANDHVDDDCXKC-DJFFAEIMSA-N 714.930 6.632 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356874128 YSZZKDNUCDDBDY-AIMUFWBGSA-N 877.231 7.541 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c2c(c(O)c(CNCCCO)c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@H]1C=C2 2356874443 YWEONRRIFMLJRJ-KSOBCHQQSA-N 989.270 7.274 50 1 KKGF COc1ccc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2ccc(OC)c(OC)c2)cc1OC 28220395 GJXMMBIBMMTSSM-MEKGRNQZSA-N 711.048 5.349 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2CC[C@@H](O)[C@]3(CCCC[C@H]3CC#C4)SSCCC[C@H]2O)cc(Cc2cccc(O)c2)c1O 85569307 GRDNJQVVFANXMA-KTQNVTHCSA-N 772.982 8.181 50 1 KKGF biogenic,in-vitro C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6NC(=O)CCCC[C@@H]6CCSS6)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 95542805 PNRBKHMNBUWRNW-IQRWIRMLSA-N 764.104 6.376 50 1 KKGF COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)cc1 101284907 PNDVIXRDIGWBLN-PGSNHLGOSA-N 500.510 5.130 50 1 KKGF CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)CCl)[C@@]1(C)C(=O)[C@H](OC(=O)c3ccccc3)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 169368240 SPZHHTFLVTWCGV-LNIXJACCSA-N 992.471 5.819 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccc(Cl)cc4)c4ccccc34)sc2c1 299864495 RMQRFSWOJBLKSV-IPPBACCNSA-N 517.058 6.170 50 1 KKGF CN1C(=O)CCc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc21 587321049 HXVKMVPGOJJAIF-AOYPEHQESA-N 510.359 5.090 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587327670 QUEUMQUXQXMNLX-BHBYDHKZSA-N 527.935 5.556 50 1 KKGF O=C1C[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587503772 CSUCYTBVQDZVHD-FQEVSTJZSA-N 507.268 6.859 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 587685290 PJOGVUMRGRTZTE-UOXLDJKESA-N 548.239 5.789 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687870 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CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@@]1(O)[C@H]2CCN(CCCOC)C[C@@H]2C=C[C@H]1CCCO)C4 2356352601 XCTNISFAHXLNBP-FAGOSWFASA-N 895.059 5.260 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356376758 WTRNMVUURKYVLV-BFSFZNGOSA-N 795.118 6.863 50 1 KKGF COC(=O)CCCC[C@H](O[Si](C)(C)C)[C@@H](CCCCCCCC[C@@H](C)O[Si](C)(C)C)O[Si](C)(C)C 2356479581 VZFQQOXLVSMGOB-CYXNTTPDSA-N 549.030 8.521 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356497547 QZDGXZBZNDHRCY-NABZFCBASA-N 920.296 5.911 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](OCNCCc1cccc(O)c1)CC(=O)CC2 2356713016 VRSWPWYYYXPLHI-LOYHVIPDSA-N 663.858 6.735 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(CCC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356730183 NAFNUTQSAMGUFA-GLLPKELKSA-N 928.264 7.552 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)[C@@H]2CCN(CCCOC)C[C@H]2CC2(CCCC2)[C@H]1CCCO)C4 2356735264 KTBWMCXDAXAHNG-SCDBYJLMSA-N 981.193 5.873 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356759594 CZJIEDQMUAGKDR-KFQXVIFRSA-N 800.138 5.561 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSS[C@H](CO)c4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356779932 ZJGVHPZHYQGHNK-QTNNSCEXSA-N 774.153 6.058 50 1 KKGF CC1=C[C@@H]2O[C@H](OO[C@@H]3O[C@@H]4C=C(C)CCC=C(C)CC[C@@H]5O[C@]5(C)CCC4=C3C)C(C)=C2CC[C@@]2(C)O[C@@H]2CCC(C)=CCC1 2356801790 QUTQBDXTYWLOSB-AQWMCDNTSA-N 634.898 9.826 50 1 KKGF CC1=C(CCCCCCCCCCCCCCCCCCCCC2=C(C)C(=O)OC2=O)C(=O)OC1=O 2356821268 FYTKDXOUMFJNNY-UHFFFAOYSA-N 502.692 7.588 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4C=CN=C4C3)[nH]c(=N)c1CSSCC[C@@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O 2356853953 RLAZISXZIXSAQW-MIYUYXAISA-N 823.998 5.197 50 1 KKGF O=C(CCCCCBr)N1CCC(C[C@@H]2CC(c3cccc(Br)c3)=NO2)(C(=O)NCC2CCCCC2)CC1 38151136 HRFLQTVITXWRDO-VWLOTQADSA-N 639.473 6.593 50 3 KKGF CCCCNC(=O)OCCN=C1c2ccccc2[C@@H](Br)[C@H](Br)c2ccccc21 1643738 BQJOURWTNCHPKQ-WOJBJXKFSA-N 508.254 5.936 50 1 KKGF O=C(c1ccccc1SSc1ccccc1C(=O)n1nnc2ccccc21)n1nnc2ccccc21 29478060 QZICTQWYQJQGQQ-UHFFFAOYSA-N 508.588 5.352 50 1 KKGF CCO[P@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=N/Nc3nncc4ccccc34)cc(OC)c2O)c1 49881491 YQWZXHMDNWUXJK-MLUFYSBSSA-N 552.499 6.341 50 1 KKGF C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cc3c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 95615827 DUVUDEKMYCCHHY-AYQNZAERSA-N 780.958 11.450 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc3c(c2)[C@](C[n+]2cc[nH]c2)(CCN3)SSC1 103529685 QFAJJLSFFATJPB-OQVBUGTNSA-O 619.833 6.161 50 1 KKGF biogenic,in-vitro CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@H]4CC[C@@H](O)CSSCCC[C@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@@H](N[C@H]1CCC[C@H](Cc3ccccc3)C1)CSSC2 150343775 UCSMOKLOOZOHLG-GIABDDEFSA-N 944.316 11.118 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(CCNc3nc(Nc4ccccc4)nc(N4CCOCC4)n3)CCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169312903 LIARDDCLFNZEIH-YLIUWFRGSA-N 936.161 6.615 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 169363391 GXXCHGXPDJFXGQ-UBBSOTDYSA-N 557.171 7.613 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c2[C@@H]1C1=C4C[C@@H]2CC[C@H]4[C@](C)(/C=C/C=C(\C)C=O)[C@@H](O)CC[C@]4(C)[C@@]12C)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 169370163 RRXNGBYVIKSJGO-MPMSRAPNSA-N 662.911 8.865 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CSCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253646434 PAJLLRUDJBTVAE-MKIGFBTISA-N 654.844 5.230 50 1 KKGF Cc1nc2[nH]c(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)nc2cc1Br 587056278 ONKAAVYIXKXEBI-NVNXTCNLSA-N 501.215 6.807 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(OCc4ccccc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191270 RWWUBIPVBCZPGU-CVVKQOCVSA-N 667.891 8.174 50 1 KKGF CC(=O)O[C@]1(c2cc3c4c(cccc4n2)CC3)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587209042 GTWUERZFQAYOIZ-DPKVAYPGSA-N 564.553 7.431 50 1 KKGF O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325911 HNGRVMXLODQXBG-PXJZQJOASA-N 581.383 6.573 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 587686439 VHVAOEFRPVKNTB-JBEBIEQOSA-N 522.245 6.245 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 587712164 OENUOBFZKYTGLO-XYZCENFISA-N 560.021 6.542 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 587839792 ILFWOHUYUXKWEI-MWTRTKDXSA-N 574.354 5.326 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2ccc(Cl)s2)N1C(=O)c1ccc(Cl)cc1 963011887 OSPIQFLFUVMENG-UUOWRZLLSA-N 519.837 6.170 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963191815 ZHMJASIFFBSBAS-XUZZJYLKSA-N 649.234 6.277 50 1 KKGF C[C@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857548775 UZGZKHBURJNPJF-KRWDZBQOSA-N 506.440 6.716 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(Cl)cc2)nn1 1857636552 GQCDHQYNDPEVLB-QBSAXGHUSA-N 524.105 6.727 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356292319 OJBIPPOMVGNUFL-HZFWFZRYSA-N 929.307 9.077 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSC2(CCCCC2)c2c(ccnc2N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(C)C(=O)O[C@H]1C3 2356292563 TZBRZAQFWAYTJE-KRIHFLLWSA-N 730.909 6.769 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356298454 DLAXYVHSVZVOSS-HUGNUXNLSA-N 901.253 7.936 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SS[C@H]3C=Cc4c(ccnc4N3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356300535 MXXQLTYCWXKNPY-HOSHWBOESA-N 932.218 9.425 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@]54C)[C@]21O 2356351169 RHSVFXXSLKPNNP-HYYUIJKYSA-N 793.193 8.730 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O 2356390784 CTHUSBFULVXKNC-FKSSTNDRSA-N 711.081 11.056 50 1 KKGF CN[C@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC[C@@H](C)O)c(CO)c1 2356455546 YEKCJMNKBMYKHS-FFGPBKLDSA-N 720.954 7.472 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3CCOc4c(O)ccc2c43)CCNCC1)[C@@H]1CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 2356673100 BRFRPCHSAOUQDX-PJLDNBBZSA-N 916.301 7.656 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@H]5CO)[C@H]4CC=C[C@@H](C4)SS3)[C@H]2O)c1O 2356780431 WKHGSAFUJWVRFZ-FTEIMOQZSA-N 793.013 7.925 50 1 KKGF CC1(C)[C@H](Cl)C[C@@]23[C@@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)c(Br)c(Br)c14 2356800403 QAJAEFHWLZNVNF-XFXJRQKTSA-N 619.539 5.231 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)[C@@H]4C(=O)OC)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCC(C)C)[C@H]3C 2356838086 LPYBAHHQHXNAFO-KCQPIYKTSA-N 871.176 12.753 50 1 KKGF O=C[C@]12OCSSC[C@H](c3cc[nH]c3)[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)c(-c4ccc(O)cc4)coc3c1)O[C@H](C(=O)O)[C@H]2O 2356839273 LSERQKDEQQMFCX-UTLAETTDSA-N 917.071 7.001 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CC[C@]7(CCCC78CCCC8)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4CO)c1 2356872534 YZXBMXWESHULLH-MIQFMUCFSA-N 834.198 8.886 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)s1 53226770 HOSSTDYQJSAZTA-FGZHOGPDSA-N 523.843 6.152 50 1 KKGF CC(=N\NC(=O)COc1ccc2ccccc2c1)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 73197237 LAICDHYIYJKRMS-XJYLHALESA-N 535.025 5.264 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@@]23OO4 73273405 DFPBBOCDGYBNBR-GCWCWGDMSA-N 550.689 5.419 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC 82196706 NMYFNKLLVZCRID-HXUWFJFHSA-N 657.123 7.154 50 1 KKGF CNC(=O)c1cccc2c3c(cc(O)c12)N(C(=O)c1cc2cc(NC(=O)c4cc5ccccc5[nH]4)ccc2[nH]1)C[C@@H]3CCl 95605000 QGRZBAWMGKFIFB-IBGZPJMESA-N 592.055 6.103 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cc(F)ccc1F)SS/C(=N/c1cc(F)ccc1F)OCCN1C(=O)c2ccccc2C1=O 95614913 ZPSHIVZJZROLFB-CFTRLRGZSA-N 722.698 6.925 50 1 KKGF CCOCCOP(=O)(OCCOCC)[C@H](N/C(SC)=C(/C#N)C(=O)OCCOc1ccccc1)c1ccccc1 103207945 WNPCLQNTPYWHPY-CZNAVJSXSA-N 592.651 5.294 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4cccc(N=C=S)c4)C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 136068639 JQKFCNUCPHRFHS-JWDVHEBFSA-N 561.707 5.829 50 1 KKGF O=C1c2ccccc2C(=O)[C@@H]2NC(CCCCCSSCCCCCC3=N[C@@H]4C(=O)c5ccccc5C(=O)[C@@H]4N3)=N[C@H]12 195517525 UDMROSGADNIYNT-KMKVIZFGSA-N 602.782 5.125 50 1 KKGF NNC(=O)c1ccc2nc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)[nH]c2c1 587089893 FXMRKGDGPLZJOZ-UHFFFAOYSA-N 644.232 6.268 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(C(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 587327780 HLYMKXUWUNJJHY-KNQAVFIVSA-N 513.256 6.339 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3C1=N2 587337721 OMFNJAONAJYQJD-ZJJOJAIXSA-N 571.608 6.936 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(OCc2ccccc2)c2nc(O)ccc12 587537809 KNBABFMYSBUGRA-DHIFEGFHSA-N 584.422 6.477 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962720930 YLKDSGYGAMURSR-NFIRYUQSSA-N 872.425 7.585 50 1 KKGF CC(C)(C)[Si](OC1CCC2(CC1)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21)(c1ccccc1)c1ccccc1 963229123 HFDXKHPGQQSTKP-HVXDBQIRSA-N 827.963 8.184 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C)c(Cl)c1)([C@H](C)Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809540 XNEBWPUCSFNDLA-PBYQXAPXSA-N 595.921 6.442 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857591076 HXOTZBOQGPCHMQ-INIZCTEOSA-N 529.427 5.406 50 1 KKGF C=C1C=CC(=O)N[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1 1857744268 QSEMYQVVFCUPPF-LXTRVPRUSA-N 732.051 5.933 50 1 KKGF CN(CCO)/[N+]([O-])=N/Oc1cc(N2CCN(C(=O)[C@]34CCC(C)(C)C[C@H]3[C@H]3C(=O)C=C5[C@@](C)(CC[C@H]6C(C)(C)C(=O)C(C#N)=C[C@]56C)[C@]3(C)CC4)CC2)c([N+](=O)[O-])cc1[N+](=O)[O-] 1857759932 QNCBLYGSQDSLJH-YHOXYWLLSA-N 858.994 6.467 50 1 KKGF CCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356350427 BXOURQXHFKFJDA-KZSKGUIYSA-N 846.128 8.566 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356360094 YJEARMAMFQRPOJ-RLYYAAKVSA-N 700.968 5.785 50 1 KKGF CCCCC[C@]1([C@@H]2C[C@@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@@]2(NC(=N)NC)CCC[C@@H](C2)Oc2cc(ccc2O)C1 2356369163 CRAVIEIANLOQGF-CTYQIAMBSA-N 823.091 7.980 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356372864 NWRZXJSNLUPRIE-GCVVZWNVSA-N 935.300 7.523 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)[C@H]2CC[C@H](CO)[C@H]4C2)cc(Cc2cccc(O)c2)c1O 2356492917 FIMRPGAEKKFWPX-ANXSFQDBSA-N 901.112 10.052 50 1 KKGF CCCCCCCCCCCCC[C@@H](C)CC(=O)OC(=O)C[C@H](C)CCCCCCCCCCCCC 2356496014 BNNALAXBAYADRW-ROJLCIKYSA-N 522.899 11.511 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356554263 MYRMEXVYTNATGB-LTYDHLJASA-N 877.135 7.107 50 1 KKGF CCCCCCCCC=CCCCCCC[C@@H]1C(=O)O[C@]2(C)O[C@H]([C@@H]3C(C=O)=C[C@H](O)[C@@H]4C(C)(C)CC[C@H](OC(=O)C=Cc5ccc(OC)cc5)[C@]34C)O[C@@H]12 2356589638 MCVAPTMLHAVOLH-AAKJLIONSA-N 763.025 9.457 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@@]54C)[C@@]21O 2356723617 OUMKPVLWPZWKHY-TUBNUIKMSA-N 739.101 7.560 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2)N1 2356738614 OUUUTIPUESMCTM-CHRMXFPWSA-N 821.119 7.459 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](CN1C=CNC1)c1cc2cnc1N 2356862541 VBWQLHSZEYHVCH-VGYAMKFKSA-N 592.787 5.566 50 1 KKGF Cc1ccc(NC(=O)c2ccc(/N=N/N(C)CCCl)cc2)cc1Nc1nccc(-c2cccnc2)n1 13553271 AUHKMKATZQLPOZ-JEIPZWNWSA-N 500.994 6.012 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)Nc1ccccc1NC(=O)CCCC[C@@H]1CCSS1)O2 27436343 ZFWOHCPEQUNEBA-PIIWDFAUSA-N 528.740 6.692 50 1 KKGF COc1cc2c(cc1OCCC(=O)Nc1ccc3oc(C(=O)Nc4cc(O)ccc4CCCl)cc3c1)N=C[C@@H]1CCCN1C2=O 49776338 LTOUTLDVVSKKLU-QFIPXVFZSA-N 631.085 5.909 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1SSC[C@]34C[C@H](CCCCNC(=N)N3)C[C@H](C4)Oc3cc(ccc3O)C[C@H]12 85597148 NLSIGIRJSIRJMS-KFHZVRFJSA-N 819.059 7.198 50 1 KKGF biogenic,in-vitro Cc1cc(S(=O)(=O)C2=N[C@H](Nc3ccccc3)NN2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)C2=N[C@@H](Nc3ccccc3)NN2)cc1Cl 95614579 KAYDLINYSBIPRY-HNRBIFIRSA-N 763.780 5.676 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccccc1Cl 103950334 JKGFNJIVFXVRLG-SFHVURJKSA-N 539.829 5.613 50 1 KKGF CC(=O)O[C@H]1[C@H]2C(C)=C3C[C@@H](C(C)C)C(=O)C[C@@H](C)[C@]31[C@@H]1C(=O)C(C)=C3C=C4C(C)(C)OO[C@@]4(O)C[C@@H](C)[C@@]321 197208326 NNUJSUWFBJCDRH-DTFYVEHYSA-N 538.681 5.033 50 1 KKGF COC(=O)CCCC#C[C@H](Br)[C@H](O)CCCC/C=C(Br)/C=C\Br 198356482 AYDCADNHQBXBAP-ZLUIEFSESA-N 515.080 5.205 50 1 KKGF O=C(N/N=C/[C@@H]1NN(c2ccc(F)cc2)[C@H]2[C@H]1CCC[C@@H]2Cc1cccc2ccccc12)c1ccccc1 253636484 IWRDBMLARBRACV-MOKYWEGYSA-N 506.625 6.116 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@H](Cc1ccccc1)NC(=O)CNc1cc(Cl)ccc1O 253908042 WUXSSALNWBMRKU-ODZAUAJYSA-N 759.244 5.332 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@H]([C@@](C)(O)c5ccncc5Cl)[C@@H]4CC[C@H]32)C1 261089294 DEPMEDSXCRDCRX-FSAXLYJXSA-N 532.285 8.602 50 1 KKGF CC(C)(O)[C@H]1CC[C@@](C)([C@@H]2[C@H](O)C[C@@]3(C)[C@@H]4CC[C@H]5C(C)(C)C(O)=C(C=O)C[C@@]56C[C@@]46CC[C@]23C)O1 299807160 FRDYBUXTGDPYDL-SVXDNECCSA-N 500.720 5.726 50 1 KKGF C[C@H]1CN(c2nc3ccccc3nc2SCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)C[C@@H](C)O1 586967575 BDDSEHVJSWPDHS-OKILXGFUSA-N 531.576 7.069 50 1 KKGF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cccc(Cl)c1 587072098 UAXJKVILDRIMDC-OAHLLOKOSA-N 576.813 8.445 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587325308 DKMHOOYYOAUSMS-SUYBVONHSA-N 587.007 5.476 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@H](Br)C(=O)c2ccc(Br)cc2)N1 587670333 KCULILYJYKGLOP-SHAMJUJCSA-N 675.028 7.537 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 587674092 SREGIMYNPPRZRR-RZFZLAGVSA-N 515.220 5.854 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(OC(F)F)cc2)([C@@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 587716475 JDGWBWVCFVQTEY-GXEJCNNVSA-N 604.797 7.059 50 1 KKGF Cc1ccc(-c2[nH]c3ccccc3c2[C@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1C 962472350 FPCIBPTUIWTOTP-ABJZOGFOSA-N 668.193 8.590 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CBr)(c2ccc(-c3ccccn3)s2)N1 962699460 OLVRBYHCRCRWQE-JXFKEZNVSA-N 515.326 5.205 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 962713196 NYQUHLVTNAMHBA-PXAZEXFGSA-N 597.987 6.249 50 1 KKGF Oc1ccc2c([C@@]3(CBr)c4ccsc4CCN3Cc3cccnc3)ccc(OCc3ccccc3)c2n1 963000589 VTKFYJGVXMTNFA-PMERELPUSA-N 572.528 6.673 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)[C@H]1CC=C[C@@]21c2ccc(F)cc2C[C@H]2CCCN21 963103767 OASUUHPODZHSQG-RMDMGZOHSA-N 643.876 7.444 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(CCCCC[C@@]2(CBr)C(=O)OC)N1 963157943 BIPJOZWYESQTKR-ZTTBVOJYSA-N 682.659 6.681 50 1 KKGF Cc1ccc([C@]2(CCCCCCCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963181587 AEZBBPYAQPCIJR-LBHUVFDKSA-N 598.139 8.281 50 1 KKGF Cc1c(C(=O)CCl)c2ccccn2c1[C@@]1(c2ccc(F)cc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963833229 TWFVITBHKSKSAK-DHUJRADRSA-N 578.087 7.306 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1ccc(F)c(OC(F)(F)F)c1 963903603 BJWDDMKHMSGLIO-MZNJEOGPSA-N 576.381 6.308 50 1 KKGF COc1ccc(/C=C(\C#N)C(=O)NCCNC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@@H]43)C2)cc1 1772607759 HTMFPTOIKFZOQP-LLPSSVGQSA-N 587.761 5.981 50 1 KKGF N#Cc1cnn2c(Nc3cccc(N(CCCl)CCCl)c3)cc(CN3CCC(N4CCCCC4)CC3)nc12 1772608396 PQMZUBZPYJINAQ-UHFFFAOYSA-N 555.558 5.079 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857617899 KYGQPPYBVDHHAR-MRXNPFEDSA-N 529.427 5.406 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356291812 AUMHMUDTFLABBE-RXMPXNQPSA-N 825.155 7.218 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(CO)C[C@@H]3CNC(=N)N[C@H](C)O 2356362853 FPPDCRNEQBFPSV-APERKJOGSA-N 967.397 5.827 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)C1CCN(CCCOC)CC1)C3 2356388551 JTFCALOVYPLEOP-YSCBDVEJSA-N 742.866 5.171 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356443471 NKDDPTCDRGKJDF-DNERJEHASA-N 781.997 7.471 50 1 KKGF CNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@H](C)C3)C2)C[C@]12CC[C@H](CO)C2 2356544853 GIPFFTDVEPKROP-SGEAVGEYSA-N 743.180 9.818 50 1 KKGF CCCC[C@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@H](OC)c2cc(O)c1c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)c2 2356562680 ZYGXVSICEXXAKB-PIYOZJNESA-N 978.010 5.427 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)C[C@@H](O)CC1(C)C)=CC=CC=C(C)C=CC=C(C=O)CC[C@@H]1C(C)=CC=CC1(C)C 2356589350 FXJMSBSQWHKYLZ-FZNHDDJXSA-N 566.870 10.612 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC1=C(C=O)[C@H](O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)OC)C1 2356618702 DRFPZBVYKVDYOL-WODCTDJLSA-N 618.943 10.137 50 1 KKGF C=C(C)[C@@H]1CC[C@@]2(COC(=O)CCC(=O)NN)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]3(C)CC[C@@H]3C(C)(C)[C@@H](OC(C)=O)CC[C@@]34C)[C@H]12 2356654918 PKAPKLCGHVIAEA-ZNCSPWMSSA-N 598.869 6.889 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@@H](O)CSS1)[C@@H](O)CC(=O)CC2 2356692890 OJAWUJDHXHVGPL-CFNWKRDHSA-N 540.703 5.776 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@]1(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@@H](C)C3)C1)C[C@H]2CNC 2356756013 MGAUJXUOBXOSDP-ODOCDGOKSA-N 756.223 10.045 50 1 KKGF CN=C1NCC[C@@H]2SS[C@@H]3CC[C@H]4[C@H](O[C@@H](c5cc(O)c(O)c(OCCc6cccnc6)c5)C[C@H]4OC(C)=O)[C@H]3Cc3ccc(O)c(c3)O[C@H]3CCC[C@@]2(C3)N1 2356775225 JRZGYMBGUXJSFT-QATMJSGDSA-N 805.032 6.612 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356858787 TWNKIRNMDNJXKN-XKDAXCEBSA-N 873.015 5.691 50 1 KKGF CCCC[C@@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29241331 RBGBYUGLTLOTDN-XNMGPUDCSA-N 641.548 5.289 50 1 KKGF C[C@@H]1CC(C)(C)N[C@@H](C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 43211864 GMWDETSLGDDKSS-BAGYTPMASA-N 577.361 6.305 50 1 KKGF CN(C)CCCOC(=O)C[C@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c1ccc([N+](=O)[O-])cc1 43939038 HVXSPONWSBKRMC-NRFANRHFSA-N 624.330 5.205 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NC(C)(C)C)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 49593198 NMDBNXURSUODAA-AWEBLWIESA-N 675.904 6.799 50 1 KKGF C[C@H]1CCCC[C@@H](CCCCCl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O 95541369 PXEFELGJKKNAPC-CCNIBDGSSA-N 774.223 10.439 50 1 KKGF COC1=C[C@H]2C(CC(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)=C(C)N(C(=O)c3ccc(Cl)cc3)[C@@H]2C=C1 96914019 BIWCDGGVOXODAP-OMGFQNJFSA-N 618.557 7.769 50 1 KKGF COc1ccccc1OC(=O)[C@@H](C)Oc1cccc([C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c1 103177822 DURJXXZOUOZYJT-CCKBBWJJSA-N 538.637 5.991 50 1 KKGF CCCCC[C@H](CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@H](O)C2)C[C@H](C)O 150349150 LYXDYHLMTHEXJO-YTVVJOEPSA-N 933.270 9.520 50 1 KKGF biogenic,in-vitro Cc1cc(C)cc(C(=O)N(N(SSN(C(=O)c2ccccc2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)C(=O)c2ccccc2)C(C)(C)C)c1 150573947 XNDKMMUSIUSMDU-UHFFFAOYSA-N 710.966 9.428 50 1 KKGF CCCC/C=C\CCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 238778675 MPHZATYEHALXRU-ADJMCFHCSA-N 683.071 11.640 50 1 KKGF C[C@]12CC[C@@H]3[C@H]([C@H](Sc4ccc(NC(=O)CBr)cc4)CC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 253780559 LCFDGVXDFUKBGU-VVJPOEOCSA-N 530.528 6.192 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@]5(C)[C@H]([C@H](C)CCC(=O)NC)CC[C@H]5[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 299847071 GJBAPQBREOYJGS-COGWOVSHSA-N 661.877 6.794 50 1 KKGF S=C(Nc1ccccc1Br)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1Br 473150883 NACYRCNWZKMJEI-UHFFFAOYSA-N 676.550 9.629 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)s2)[C@@H]1c1ccc(F)cc1 587372640 FSGUTHVLMDKCDN-UYAOXDASSA-N 512.194 6.005 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)CC2=O 587466380 NKJHQCHUXGBRTP-SOKVYYICSA-N 503.973 6.842 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@H](Br)C(=O)c2ccccc2)N1 587669196 BEVIUFFIOSCJTI-ZYNUUPFYSA-N 517.236 6.012 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@]2(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N1 587718886 OZSFHRDUAMDSBS-NNVCWCCBSA-N 624.994 5.904 50 1 KKGF CCOC(=O)c1ccccc1[C@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962957449 NALSBWZXPJDASC-QHCPKHFHSA-N 512.366 5.172 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1 963175993 HHVDNBGLDBOPJZ-DAYGRLMNSA-N 518.212 5.079 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(c1ccccc1)c1oc2ccccc2c1CBr 963188880 BFNWZKRIRXDBKC-BHDXBOSCSA-N 533.469 7.743 50 1 KKGF COc1cc2c(cc1OC)[C@]1(/C(=C/c3cc(C(=O)CCl)c[nH]3)C(=O)c3ccccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808271 PYORCEMPYRJAFG-YJMJCISUSA-N 634.088 5.726 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)([C@H](C#N)c1nc(-c3cccs3)cs1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809865 YWLOHEGMNGXUCD-ROTAYESASA-N 617.152 6.379 50 1 KKGF CC(=O)N1CCc2cc([C@]3(CCl)c4c(C)cccc4C[C@H](CC(=O)O)N3C(=O)OC(C)(C)C)c(Cl)cc21 963841357 MCKFEODQKCNTCQ-PIIWDFAUSA-N 547.479 5.676 50 1 KKGF COc1ccc(/C(C#N)=C/C(=O)OC/C=C/COC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)cc1 1857534874 VGADHCGWMIELBG-FYEXZOGZSA-N 705.892 8.871 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCCOc2ccc3cc(-c4ccc(Br)cc4)c(=O)oc3c2)nn1 1857745226 FKIDUOPFESGCFP-SANMLTNESA-N 657.656 7.004 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]4O)[C@@]65C 2356435528 FMHFCMQGZUSLAS-FKECBMEDSA-N 926.248 5.288 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)[C@H]2CCC[C@@H](C2)SS5)c1O 2356441174 ILAJELOTGQYLOJ-FNJHJCPQSA-N 821.067 8.467 50 1 KKGF COC(=O)CCCC[C@H](O[Si](C)(C)C)[C@@H](CCCCCCCC[C@H](C)O[Si](C)(C)C)O[Si](C)(C)C 2356479582 VZFQQOXLVSMGOB-NXCFDTQHSA-N 549.030 8.521 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSS[C@H]2C=Cc3c(ccnc3N2)[C@@H]1CN1C(=O)C=CC1=O 2356605017 OKBJBIAVNVSUPT-NUMJQVFMSA-N 709.890 6.987 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)cc(OC2CCCCC2)c1O 2356670776 BKKSWFKHTZCPGF-LELFMQMDSA-N 678.913 8.913 50 1 KKGF CCCCCCCCCCCCCCCCC1=C[C@H](C(=O)OC(=O)[C@H](N)C(C)C)[C@@H]2C(=O)C(C(=O)OC)=C(CCCCCCCCCCCCCCCC)[C@H]2[C@@H]1C(=O)OC 2356725729 RQQPIMSWJUZZFS-VEJRFZNNSA-N 842.256 12.412 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356775501 NQDXHZIPWLTPDF-XIXJOFNVSA-N 855.214 7.506 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@]1(C)[C@H](Br)CCC(=CI)[C@@H]1Cc1cc(Br)cc(Br)c1O 2356792185 JLLRGJBOMRATNZ-FRHBMVIGSA-N 933.965 11.257 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@@]4(CCCC45CCCC5)NC(=N)NCC[C@@]4(CC5=CCNC(N)=C5)CC(=O)N(Cc5cc(c6c(c5O)O[C@@]57C=C[C@H]6C[C@@H]5CCC7)C[C@H]1CC[C@H]3C2)C4 2356815450 CRQCXZDLGWSZFN-VXCYACFKSA-N 983.399 9.347 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1 26577321 RFNUTMXSNZMOSL-DWGJTKHESA-N 718.795 5.656 50 1 KKGF COc1ccc([C@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2ccc(OC)cc2)cc1 28218221 RSFVSUUQBLFEBJ-AQOUDTPCSA-N 650.996 5.331 50 1 KKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(CSc2ccccc2)=N1 43260379 NWSIDRKSUHXTPY-HGCKDBNDSA-N 577.672 7.752 50 1 KKGF O=C(NNc1ccc(Cl)cc1)c1c(N/C(O)=N/S(=O)(=O)c2ccccc2)sc2c1CCCCC2 45287537 KZWMJXRUOIVQOS-UHFFFAOYSA-N 519.048 5.142 50 1 KKGF O=C(c1cc2ccccc2o1)[C@@H](Br)[C@H](Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 64448657 QMZKMWLCCZFRDO-FTJBHMTQSA-N 590.271 8.114 50 1 KKGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1O[C@@H](C)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 72136419 KALZEDJUTMMCFB-HKJKEXGKSA-N 721.766 8.268 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283554 IRIUFCULJMOYNF-FADJLKOXSA-N 571.653 6.585 50 1 KKGF CC(C)(C)[C@@H](Br)C(=O)Nc1nnc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)s1 103278977 ZDWHUBGUAWRJFR-BYPYZUCNSA-N 546.200 5.846 50 1 KKGF CN(C(=O)[C@H](Br)CBr)c1ccc2c(O)c(/N=N/c3cc(NC(=O)[C@@H](Br)CBr)ccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1 150345338 VQHZGUHJQQJQMU-BTQGANPLSA-N 880.182 5.672 50 1 KKGF CN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(C)C(=O)c2ccccc2C(=O)N(C)Cc2c3ccccc3c(CN(C)Cc3ccccc3B(O)O)c3ccccc23)c2ccccc12 195173536 PZDLAJYCOHHAQS-UHFFFAOYSA-N 926.732 7.467 50 1 KKGF Fc1c(F)c(F)c([P+](Cc2ccc(Oc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4c(F)c(F)c(F)c(F)c4F)cc3)cc2)(c2ccccc2)c2ccccc2)c(F)c1F 195524212 VGHMDYBURKYIRL-UHFFFAOYSA-N 900.733 11.858 50 1 KKGF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586880320 XKLDDHFWCJTJCT-UHFFFAOYSA-N 533.316 8.323 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 587327825 RTISMGCJPHQNCM-QLWXXVCSSA-N 532.055 7.730 50 1 KKGF Cn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587328442 UMQXGYADGKZXBP-DHIFEGFHSA-N 511.980 7.183 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570302 OFQFHTXFGVYJLE-YGUMMSGSSA-N 737.217 6.183 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1scc(Br)c1Br 587614225 RKYDYSWAVLQAFS-AUUYWEPGSA-N 530.621 6.075 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@]1(C)CBr 587674517 XJMZQYIGYOWZDB-CZSNMSQRSA-N 524.110 5.912 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(c1ccccc1)c1ccccc1NC(=O)C(C)(C)CCl 961749074 LHWOUVFTMWPVQT-UUWRZZSWSA-N 574.165 7.333 50 1 KKGF COc1ccc2c(c1OC)[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)N(C)[C@@H](C)C2 962573266 NDDZTZVSLXQTKJ-VGHVDPOBSA-N 519.032 6.460 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677855 MWDKZNCOQVPYNK-DEXQXJORSA-N 619.434 5.779 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)NCCc2c1c(C(C)C)nn2C 962914035 CJIFJPQWKGLKEL-IGKIAQTJSA-N 513.236 6.282 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(c1ccc(OCCCl)cc1)[C@H](CC)c1ccccc1 962992732 YBSVERFKCLMYKR-XLNFBEDTSA-N 646.611 8.070 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)NCCc2cnc3c(OC)cccc3c21 963045467 GAXIRXHKZBNSGN-SSEXGKCCSA-N 548.108 5.807 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc(C)cc1C)N(C(=O)c1ccccc1N)CC2 963146245 XGLNQFBTCRIZGC-MHZLTWQESA-N 509.444 5.240 50 1 KKGF COc1cc2c(cc1OC)[C@H](c1ccc(O[Si](C)(C)C(C)(C)C)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963795464 GKEMZYSVESQLSB-PMERELPUSA-N 570.762 6.926 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCCCl)(c1ccc(OC(F)(F)F)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963807122 IXFNHFCKJLZHLS-JGCGQSQUSA-N 629.075 7.394 50 1 KKGF O=C(/C=C/c1cc(O)c(O)c(O)c1)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1772599958 AXSGEZUBGLQDDE-UHFFFAOYSA-O 596.728 7.048 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1Br 1857647527 DBVVTGXYBBKLMC-HURCVABGSA-N 644.607 6.652 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356298455 DLAXYVHSVZVOSS-TZCDCAHRSA-N 901.253 7.936 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356299755 GQPZODNHOMJQLR-MIXABNQYSA-N 959.377 9.731 50 1 KKGF CNCc1ccc(CO)c(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@H]4[C@@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356353329 MDAPOCUUTCBFAR-VLROCDFUSA-N 761.158 5.409 50 1 KKGF CC1(C[C@@H]2CC[C@@]34CSSCc5cc6c(cc5C(N)N)C#CCc5[nH]ccc5C(=O)C[C@H]6c5cc(ccc5O)CCOc5cc(ccc5O)CCC(=O)C=C[C@@]2(C[C@@H]3O)C4)CCCC1 2356355176 DQWNVGFETRFCNN-SNBSPYTNSA-N 900.220 9.737 50 1 KKGF CN[C@H](O[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC[C@@H](C)O)c(CO)c1 2356368877 ASNSDUXCOHSAPN-FJVYUAKUSA-N 736.953 6.443 50 1 KKGF CCCCCCCCCCCCCCCC(=O)Oc1c(CC=C(C)CCC=C(C)C)c(O)c2c([C@H](CC)OO)cc(=O)oc2c1C(=O)[C@H](C)CC 2356412648 WVJSYWPTTUYENB-LDNVYYCDSA-N 710.993 12.290 50 1 KKGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@]5(CSSCC[C@@]2(C)[C@]31CC4=O)NC(=N)NC[C@H]5Cc1ccccc1 2356434191 IHAHPHIPCGBJIH-GUJHAMQXSA-N 553.838 5.597 50 1 KKGF C[C@@H]1CO[C@@]2(O[C@@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5CC[C@]4(C)[C@@H]3[C@@H]2C)[C@H](C(Cl)Cl)C1 2356486952 JXWFIBCMYNNVHU-RLCMCNAZSA-N 513.546 5.715 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)CCC=C(C)CNCC1CCCCC1 2356489185 NBOYRKMILJEXDZ-LIWUZWDESA-N 640.950 5.710 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]67C[C@H](C)CC[C@@H]6[C@H](CCO)CC[C@]57C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356510347 WCEFQFNUYJDVIT-MEMXFCBUSA-N 928.264 6.918 50 1 KKGF C[C@@H]1C(=O)O[C@H]([C@](C)(O)COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](C)[C@H]1O[Si](C)(C)C(C)(C)C 2356702726 RBEUVCBWGYYPIB-AZASEJGUSA-N 574.834 7.334 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]5C)c1 2356806090 AEUVQXWHNYHEBP-ORJLVWFMSA-N 802.156 9.328 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)OCC(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@@H]2C2=CCN=C2)c2ccccc21 2356873213 ZDNCXVUEUVPFRF-ZQZGFVKOSA-N 925.159 6.778 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccn3)c3ccccc3n2C)c(C(=O)Nc2ccccn2)c2ccccc21 27725078 JOWCTFPLEOLXDX-UHFFFAOYSA-N 564.696 6.764 50 1 KKGF CC[N+](CC)(CC)CCOc1ccc(C(=O)NCCCCCC(=O)NNc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1 28863605 SRSKXXPERFQRQE-UHFFFAOYSA-O 609.235 6.456 50 1 KKGF CCCCCN(C(=O)CCCCBr)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 36188467 HMRMTWUTVVIJSI-DXZAWIECSA-N 537.627 6.802 50 1 KKGF CCCNC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145581 CALNUZDNCPLIAJ-KARVZVKPSA-N 532.769 6.732 50 1 KKGF C[C@]1(C(=O)OC(=O)[C@]2(C)CCC[C@@]3(C)c4cc(O)ccc4CC[C@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 38149322 CXSWMXMKWWOTPK-JCPHSTJXSA-N 530.705 6.888 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Cl)cc1 45300495 DKKBLQLJHXEPQQ-VSGBNLITSA-N 516.380 6.874 50 1 KKGF Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(Oc3nc(Cl)c(Cl)cc3Cl)c1)C(C#N)=C(N)O2 84757263 ZTPVKVQMUVOARA-NRFANRHFSA-N 524.795 6.546 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCC[C@H]1C)OO3 139121571 IHRXEWZCLBMYTC-BDDPWPQISA-N 634.807 6.742 50 1 KKGF C[C@]12CCSSC[C@@]34N=C(N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4cccc3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 150342319 WDJLEGXOJNZBQI-OPEBZOEQSA-N 712.085 6.598 50 1 KKGF biogenic,in-vitro CCCCCCCCCCCCCCCC(=O)O[C@H](C)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](C)OC(=O)CCCCCCCCCCCCCCC 150565560 PJKZDTSXKLWIJQ-NDOUMJCMSA-N 897.386 14.772 50 1 KKGF Cn1c(-c2ccc(/C=C/C=N/NC(=O)c3ccc(C(=O)N/N=C/C=C/c4ccc(-c5c[n+]6ccccc6n5C)cc4)cc3)cc2)c[n+]2ccccc12 161381995 FDTRPVQXNHYJAQ-FCXIDUHASA-P 684.804 6.033 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@H]1C)OO2 299847910 YJMSUCOCLCDMIR-ASXIAVMVSA-N 675.904 7.184 50 1 KKGF CC(=O)c1ccc(-c2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)ccc2F)cc1 587139572 PSLMZPRCLMMJKZ-UHFFFAOYSA-N 535.307 8.659 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)O2 587387774 WTZLOGPDSSZLFA-XMMPIXPASA-N 546.792 5.513 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587537591 IISWBWCDDDAYFZ-RDPSFJRHSA-N 514.328 5.123 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 587673197 LGWZOYBZXSPYTI-MRDQGFSESA-N 561.289 6.047 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@@H](C)[C@](OC(=O)c5ccco5)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23Cl)N1 587691079 BREUTBXLNPCBEQ-LEWBWQRQSA-N 735.518 7.631 50 1 KKGF COc1cc([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1OC(F)F 587720810 UZEVLPSFYJRJOE-DGIBIBHMSA-N 509.160 5.371 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587721679 XDBOHNUXWATMNI-LQDNESKHSA-N 693.069 7.464 50 1 KKGF COc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(NC(=O)O[C@H]2CCC[C@]4(C2)OOC2(O4)C4CC5CC(C4)CC2C5)c2ccccc32)cc1 621476400 NTXXGUGMTBSXET-VNMMZILMSA-N 699.244 8.549 50 1 KKGF CC(C)[C@@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962921400 HKCLJLWFSIQJOZ-OARDWFSCSA-N 553.453 5.405 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CBr)(c2cccc(OC(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963029428 CQEXCEMNUCGPCI-SYBRLPANSA-N 670.453 7.465 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CBr)([C@H]2Cc3ccccc32)N1C(=O)OCC1c2ccccc2-c2ccccc21 963229010 GOZCXXWPNRPJQB-TUMHVKJDSA-N 700.498 6.399 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(CCl)c1cc(C)n(-c2ccc(Br)c(C)c2)c1C 963614900 ZQKYPVSMBDIMCB-YHAMSUFESA-N 517.895 6.199 50 1 KKGF CC1(C)CCC[C@](C)([C@H]2CC[C@]3(C)[C@@H]2[C@H](OC(=O)CCl)C[C@@H]2[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]23C)O1 1772580727 ZEJVSSANMCAQFY-BVLXKVINSA-N 613.707 8.320 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@H]21 1772642081 QHBSWCYUKBMVAD-DHUJRADRSA-N 647.647 7.028 50 1 KKGF COc1ccc(-c2cc(C(F)(F)F)cc([C@]3(C(C)C)C(C#N)=C(N)Oc4n[nH]c(C)c43)c2)cc1C(=O)O 1772647420 IMHXCOXLRHCUAY-RUZDIDTESA-N 512.488 5.139 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)NCc2ccccc2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857543210 DYHFNIBFEYZUBB-MLRXYKPYSA-N 578.794 5.867 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCOC(=O)/C(C#N)=C/c5ccc(C)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857577236 PZMVBYVTRNGDAQ-IEFHYOSOSA-N 677.882 9.005 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(Cl)cc1 1857755297 GVKJSZRVNWHHIW-YPWBNMQWSA-N 676.254 8.210 50 1 KKGF CCCC[C@@H]1CC[C@@H]2CCC[C@]23c2cc(c(O)c(O[C@]4(CNC)CC[C@H](C[C@H](O)OC)C4)c2)NC(=NC)NCSSC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H]13 2356353962 DVGYYPMYMCHVFP-NKCNHXHASA-N 893.270 9.347 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]2([C@H](C)O)C#C[C@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@@H](CCN4)Oc2cc(c(CO)cc2O)C[C@H]31 2356364264 RQGBVMZVMGKQFC-VNUIPQNWSA-N 884.263 6.064 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]5O 2356365586 OIVWPVNFIYEIDI-PRNKHLCASA-N 954.302 6.068 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)CO)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356388735 PLDRVZNFEHVQMM-JVGXUXRSSA-N 906.180 7.290 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)[C@@H]2C=CC[C@@](C)(O)[C@H]2O3)O1 2356428568 PUWVYRQJEAWNIC-WVJJLSPISA-N 595.648 5.431 50 1 KKGF C=C(CC[C@@H]1O[C@H](C(C)(C)O)CC[C@]1(C)O)[C@@H]1CC[C@@H]2O[C@H]([C@@H]3CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356569274 WENCEJQJQNEFLN-VOYANHRFSA-N 573.609 5.599 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@H](C2CCCCC2)Cc2cccc(c2)C1 2356686825 ULMKSLODOSVGDG-ZQJMBXFXSA-N 783.107 6.444 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c(O)c(OC)c1O 2356779146 MNHVTROLHFBJLR-XUVJKVSDSA-N 626.793 6.916 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H]3NCC[C@@](Cn4ccnc4)(SSC1)C3=C2 2356814308 BZXJQLRBPBXODC-WJWYRUHTSA-N 620.841 5.760 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(N3C=CNC3)CCCC2)SSC1 2356818059 DQCKVDVFZAWWEK-UVDDSOTQSA-N 622.857 6.400 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](C3=CCN=C3)[C@H](C[C@@H]3C=CC=C[C@@H]3C)[C@H](OC(C)=O)CC(=O)C2)ccc1O 2356851005 QCWWXAKWTVFDPT-MQSLTECHSA-N 555.762 6.172 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](c5cc[nH]c5)[C@H]([C@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356873438 ZEUSHQPNGSQXHX-JHOLGJPZSA-N 932.086 6.531 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Br)cc1 49709051 AHKIBIAGBFFTGN-KAYWLYCHSA-N 560.831 6.983 50 1 KKGF C=C(c1ccc(OCC(O)COc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 49888886 YRPYKRNVNZETQA-BNRIOURTSA-N 712.880 7.531 50 1 KKGF O=C(NCCCCSSCCCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O)/C(Cc1ccc(O)c(Br)c1)=N/O 72116297 JFIJYOBHOMFWRB-RWRHWQIFSA-N 720.506 5.243 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](Br)[C@]2(C)CC[C@H](Br)C(C)(C)Cl)[C@@H]1Cc1cc(Br)cc(Br)c1O 96085358 RWUQIKIJRXVZFL-BZKJOLFBSA-N 718.634 10.173 50 1 KKGF in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cccc(CN4CCN(c5ccc([N+](=O)[O-])cc5)CC4)c3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103104715 LYRPBFAEGVCIQY-QUNBPGEXSA-N 593.721 5.642 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4C[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(CO)cc3)O[C@@H]3C[C@]4(C)CC[C@@H]1[C@@]23OO4 169292358 RRBLQAPWDRJASD-IDBKYCPNSA-N 757.043 7.767 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169356047 VOCYDUBRMCGVMY-TZBDXOOFSA-N 627.748 10.627 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 195249919 ORSKCTIDJPPMJJ-QVQTZLJVSA-N 898.538 6.320 50 1 KKGF CC(C)=CCC1=C2O[C@@H](C(C)(C)OO)C[C@]23C[C@@H](CC=C(C)C)C(C)(C)[C@](C(=O)c2ccccc2)(C1=O)C3=O 238758099 XWDJAVMNFFGXQU-PJOSOZFHSA-N 534.693 7.064 50 1 KKGF O=C1c2ccccc2[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 587053887 DYBJQGIVNXWSQV-ILBGXUMGSA-N 681.352 10.561 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 587373532 LWZVHHXKFZBQIR-GGCOELFFSA-N 632.197 8.495 50 1 KKGF O=C1C[C@@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587503780 CSUCYTBVQDZVHD-HXUWFJFHSA-N 507.268 6.859 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)c(C(F)(F)F)c1 587549477 QFVGZRHJRLOLPO-NQIIRXRSSA-N 558.144 6.426 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 587557372 NBJFUERUDYWGGT-RPLLCQBOSA-N 512.364 6.688 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 587672256 YQXHXBCOOMVURM-RVSFGVKLSA-N 550.060 5.367 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCCCCl)(c1ccc(Br)cc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962675781 OZXVDWXVTWEFTK-PMERELPUSA-N 638.952 8.617 50 1 KKGF COC(=O)N(CCCCNC(=O)OCCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)CCCNC(=O)OCCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1772629028 WUYPWUSYLMSMOL-JBGUDFAGSA-N 908.140 7.739 50 1 KKGF CC1(C[C@@H]2CC[C@@]34CC[C@@]2(C=CC(=O)CCc2ccc(O)c(c2)OCCc2ccc(O)c(c2)[C@@H]2CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc52)CSSC3)C4)CCCC1 2356291675 AAAMHDKNMUIHKQ-XJWKJAPWSA-N 884.221 10.766 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356351210 SDHWUTZNWJGSLY-WYHZTBEBSA-N 799.106 5.824 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@@H]1C#CCc5c(cc(OC6CCCC6)c(O)c5OC)[C@@H](O2)[C@H](O)[C@H]31)C4 2356353005 GBZYPCOFHCQPPY-OSMAEAJLSA-N 700.919 8.451 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@H](CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356354843 BHNOWXWDSDBTLQ-KBEJJOFYSA-N 690.973 5.875 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356358481 PTFORQWEKBBGTN-MUDVACMCSA-N 929.211 7.983 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CCC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356566374 FRORSYDIKBYDEQ-OAXPYICESA-N 505.227 9.635 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356692371 TVVAKLWNPKMXLB-IGVNSAJJSA-N 945.254 8.810 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356707365 SOCQRMIOUWQBFO-KBFKTXHUSA-N 674.967 5.543 50 1 KKGF CN[C@H](O[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cc(O)cc(C2(NC)CCCC2)c1 2356742781 AVWJLROGHZXWHV-CVOSBSQUSA-N 746.992 7.852 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)([C@@H]2CCC[C@H](NC[C@H](C)O)C2)Cc2cccc(c2)C1 2356774801 DPARXGBGNZNJEM-TZBSPCPYSA-N 988.361 5.177 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CCC[C@@H]1C=Cc1cncn13)C1=CC2=CN[C@H]1N 2356850896 QBNGJSQFJPSVQP-GVFFOOSZSA-N 670.901 6.652 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@]4(CC)CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]34 2356863623 URUKYVXFFWFCFK-GPOPLYNJSA-N 699.895 5.712 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCC(N4CCCCC4)CC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145560 RRHYIINQXNVNQU-FOVCBQKASA-N 641.941 7.683 50 1 KKGF Cc1ccc2oc(=O)cc(COc3ccc([C@H]4[C@@H](Cl)C(=O)N4c4ccc(Br)cc4)cc3)c2c1 49709851 UDVOEWUKOOISDH-RPBOFIJWSA-N 524.798 6.138 50 1 KKGF COC(=O)[C@@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Cl)s1)C(=O)OC)NCCC(=O)c1ccc(Cl)s1 72115273 CPPVULXPGQWIQE-HZPDHXFCSA-N 641.686 5.386 50 1 KKGF CCOP(=O)(OCC)OCC/C(SSCC)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOP(=O)(OCC)OCC)SSCC 150571510 PFAHAYHJCVGNMS-SGRXOXICSA-N 881.176 12.245 50 1 KKGF C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@H]4O[C@@]2(C)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 299848828 RPVOJEKMAVTVFM-WYUHVUKCSA-N 550.689 5.216 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1ccc2ccccc2c1)=N/O)/C(Cc1ccc2ccccc2c1)=N\O 299859413 HVVSKXCGFQSANG-DENOHBPFSA-N 574.728 5.052 50 1 KKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(OCc4ccccc4)c4nc(O)ccc14)[C@@H](C2)C3=O 587412911 KGNFQMQLWULRKF-RBTNQOKQSA-N 532.390 5.566 50 1 KKGF CCCc1c(O)ccc2c1O[C@H](c1sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c1Cl)CC2=O 587481326 BGOHVCMJYKPRPR-FQEVSTJZSA-N 555.505 5.486 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 587685297 PKRFOZGBAULXQY-XGCWNURASA-N 527.865 6.198 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(Br)cc2I)N1 587736361 AFIKHYZIADPTAV-XLFHBGCDSA-N 617.920 6.128 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21)c1ccccc1 962956008 OAXZLPFPZHEYCB-NDKRRWIDSA-N 571.643 6.276 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1-c1ccccc1Br 963187526 VELUMJNYXADTFX-MBSDFSHPSA-N 576.240 6.610 50 1 KKGF C[C@H](Cn1ccnc1[C@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21)O[Si](C)(C)C(C)(C)C 963191081 YIUOETPVLTZVPQ-VMDGZTHMSA-N 518.052 5.654 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(Br)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939245 VKMZSNIBIQWMFX-AXTFLGFSSA-N 737.580 6.225 50 1 KKGF O=C(Nc1ccc2[nH]ccc(=Nc3cccc(Cl)c3)c2c1)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 1772584592 VTHMIYYUFBULTE-UHFFFAOYSA-N 560.094 7.010 50 1 KKGF COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc(-c4cc(C(=O)NCC(C)(C)SSC)n(C)c4)cc3)n1)N=C[C@@H]1Cc3ccccc3N1C2=O 1857571171 LMQHTZCTZPDYKK-PMERELPUSA-N 835.025 7.291 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc(ccn1)C1(CCCC1)C[C@@]1(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]1O 2356291753 DIILEFFIEXEBIV-CKNIVWMBSA-N 915.140 6.240 50 1 KKGF C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356299625 GFIVDFQIOVMQEW-DVBFLSKZSA-N 950.280 10.425 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SS[C@H]5C=CC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)C5)c(O)c(OC)c1O 2356359727 RGPVUBVHEWFNBM-QSZRXYFCSA-N 736.905 6.437 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356365127 FXXXFEUNMISNMR-RSCNOULWSA-N 899.267 6.909 50 1 KKGF COc1cc(CC2([C@H](C[C@H](OC(C)=O)[C@@H]3CC[C@H](O)[C@H](NCCCC(C)C)CSSC[C@](C)(O)CC3)OC(=O)[C@]34CCCC[C@H]3CCC(=O)N4)CCNCC2)ccc1O 2356371246 YAFVXHXNMAMVOB-SHTICYMKSA-N 864.225 6.464 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@](O)(CO)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]6O)[C@@]54C 2356374442 WBOMRNUXVPIXLK-XFMIJJGFSA-N 950.270 5.454 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356426094 POEXFCCHSZDDPU-XKRBNZHBSA-N 630.876 8.296 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356432156 QUTKAUZBPOXOME-OUBZNCTKSA-N 698.989 5.565 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@]13CC[C@@H](C[C@H]4Cc5c(c(OC)cc6c5[C@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)[C@H](C)CCSS3 2356646160 RRHZPGGORDAYLB-FXXIZEGHSA-N 672.865 7.528 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@H](OCNCCc1cccc(O)c1)CC(=O)CC2 2356713015 VRSWPWYYYXPLHI-KYJUHHDHSA-N 663.858 6.735 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356714854 LQCLWOLRPPMCQL-PZEILENRSA-N 813.133 6.480 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c1O 2356746431 VTOVHCQPESIXOQ-ASWWNUQQSA-N 736.949 8.003 50 1 KKGF C[C@@H]1[C@@H](CO)C[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356774870 FEPKNFMKQWQQQL-FOVHILFBSA-N 531.832 5.831 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356777930 HTNIGBCMNWCNGU-AQGBKLNCSA-N 725.027 6.099 50 1 KKGF CC1(C)[C@H](Cl)C[C@@]23[C@H]4CC(=O)N2C=CC2=NC(=O)N[C@]21N3c1cc(Br)c(Br)c(Br)c14 2356800402 QAJAEFHWLZNVNF-VZAMCRHDSA-N 619.539 5.231 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@](CCO)(CC4(c5ccccc5)CCCCC4)CCCC[C@H]3O)C=C12 2356817396 DKNOMFPIFRDIDX-VCDOIMGPSA-N 992.402 8.970 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)ON[C@@H](C(=O)OC)c1ccccc1 38151791 YNPRNMQEBKCOCS-YHLAYNMNSA-N 593.717 5.320 50 1 KKGF CCO/C(O)=C1\C(C[S@](=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40685292 LHOIZTRSTKYJAE-YIWSQARLSA-N 508.949 6.308 50 1 KKGF CNC1=NCC[C@H]2SS[C@@H]3CC[C@H]4[C@@H](OC(C)=O)C[C@@H](c5cc(O)c(O)c(OCCc6cccnc6)c5)O[C@H]4[C@H]3Cc3ccc(O)c(c3)O[C@@H]3CCC[C@]2(C3)N1 85597152 JRZGYMBGUXJSFT-WTUVVPFZSA-N 805.032 6.612 50 1 KKGF biogenic,in-vitro C=C(c1ccccc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(=O)OC)[C@@H]4CC[C@@H]3C2)OO1 95576340 MVVAPRVWTVJCMA-SHFWOMIJSA-N 550.780 7.991 50 1 KKGF C/C=C\C=C\C=C\[C@H](CCCCCCCc1cccc(O)c1O)OO[C@H](/C=C/C=C/C=C\C)CCCCCCCc1cccc(O)c1O 95661642 NWTCTFHWVLMPEJ-CFMQUYDFSA-N 658.920 11.038 50 1 KKGF in-vitro COc1cc(/C=C2\C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)\C2=C(\C#N)C(N)=O)cc(OC)c1OC 96916463 DEFVUDOPKODLKR-PAJXDXCISA-N 532.681 5.335 50 1 KKGF C=C(c1ccc(C)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 169363251 QHBVSZZSIUMZBD-XEUODZKTSA-N 536.753 7.268 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1C=C2CCN3Cc4cc5c(cc4[C@H]([C@@H]1OC(=O)c1ccccc1)[C@@H]23)OCO5 170133924 FPFREWZKIINHID-GWMMUDDPSA-N 505.687 5.643 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)C3=CC(=O)[C@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 253966838 UZOSLJNYISOLSY-DFBJGDFNSA-N 549.546 5.837 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C(/C)c4ccccc4)cc3F)ccnc2cc1OCCCN1CCCCC1 299829850 VNAIQSATTCBFAH-PNEAAFPUSA-N 584.692 6.513 50 1 KKGF Cc1nccc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc12 587190711 NWEPPTNXWCPLNE-SFBCMCFWSA-N 576.782 6.298 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325938 IDIUEJPMYANCDS-HFASVGIHSA-N 526.004 6.209 50 1 KKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(-c4ccc(C(=O)CBr)cc4)cc1)[C@@H](C2)C3=O 587411034 BDNQSOUUODGRKV-HFZDXXHNSA-N 556.250 5.978 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(-c3sccc3Br)cc1)CC2=O 587493021 PRJARTOSQCIXHY-HSZRJFAPSA-N 536.285 7.091 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCl)c(-c3ccc(Br)cc3)c2c1 587618107 NMROIUYQSDIZQX-UHFFFAOYSA-N 550.818 6.054 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(C(F)(F)F)c1 587714400 PVFLJPHCFYKWGT-NPMABZOXSA-N 529.803 7.031 50 1 KKGF O=C(c1ccccc1Cl)[C@@H](Cl)[C@@]1(c2ccccc2Cl)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951976 GTAVIPHYSJWGAY-XNMGPUDCSA-N 568.850 7.398 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)c4ccccc4C[C@@H](C(=O)O)N3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)c1 963092088 JXMVUWAKZAZHJM-DUAROTRBSA-N 683.317 9.602 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)([C@@]1(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]31C)N(C(=O)c1ccccc1N)CC2 963137132 HZDYOZAYWQKRSK-IXABTZQCSA-N 803.780 7.494 50 1 KKGF Cc1cc([C@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1cccc([N+](=O)[O-])c1 963181968 BVVNDSQOSCTKER-IKYOIFQTSA-N 652.103 7.338 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21C=C[C@@]2(C)C(=C1)CC[C@H]1[C@H]3C[C@H](C)[C@@](O)(C(=O)CCl)[C@@]3(C)C[C@H](O)[C@]12F 963862606 CUBDBEQSZVDMED-JSYUKSGNSA-N 686.261 6.414 50 1 KKGF Cc1cccc2c1[C@]1(c3cc(Br)cc(F)c3C[C@@H]1Br)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963863255 RQHLNKRLAWDFMK-UHUZZHMISA-N 583.292 6.096 50 1 KKGF O=S1CCC(CCOc2ccc(C3CCC4(CC3)OOC3(O4)C4CC5CC(C4)CC3C5)cc2)CC1 1772635041 LMPIVMHUGUICCR-UHFFFAOYSA-N 500.701 6.099 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCc1cn(CCCOc2ccc3cc(-c4ccc(Br)cc4)c(=O)oc3c2)nn1 1857630842 LLSVLNUKTFNUBA-RUZDIDTESA-N 643.629 6.613 50 1 KKGF c1ccc2c(=NCCCCCCSSCCCCCCN=c3c4c([nH]c5ccccc35)CCCC4)c3c([nH]c2c1)CCCC3 1857756114 OKDAARBXBBTTDH-UHFFFAOYSA-N 626.980 9.411 50 1 KKGF COc1ccc(C(=O)c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3o2)cc1 1857759429 QTKZFQBVLQJUAO-SANMLTNESA-N 524.617 6.421 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@@H]1CSSC3 2356291691 BBOSEXNOMQBJHY-CMVNQEDCSA-N 957.268 9.891 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5c(CNCCCO)c(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O6)C4)C1)C2 2356301239 RSZMIUSJIDYSLK-QDHGSBGFSA-N 971.255 8.264 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356349841 OYSBCHXBOUIHCW-FWTXIKKCSA-N 881.174 8.619 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@H](OCNC1CCCC1)CC(=O)CC2 2356372697 KOFDCWBISUDVOF-SVBPBHIXSA-N 611.826 6.729 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@@H]2C=CC[C@H]3O 2356374573 ZKHFRNBGXVLPAD-ZTBFRZMQSA-N 974.388 7.542 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@]5(O)C2(CCCC2)[C@@H](NC(=N)N)CSSC3)O1 2356414941 VYSZNBZEIAAATA-IORAIUNJSA-N 734.941 6.186 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356649223 DXSGXKIDQAYVIP-NDNICZCJSA-N 972.416 8.281 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@@H]1O2)C5)CC#CC1=C(C=C[C@@H](N)N1)C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356826036 HVKHMRBPJZZLCO-UVJTXEOUSA-N 992.273 9.413 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@](CC)(C#C[C@@H]3C=C12)[C@@]1(CCC2(CCCC2)C1)C4 2356827160 HNUXUZCLMORFBB-XVBHGOCOSA-N 938.354 9.066 50 1 KKGF N[C@@H]1NC[C@@]23CC[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCCC8)C[C@@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@H](O)c2ccc1c3c24 2356830270 JGCXIZLWUGBDFE-PFKDLDQCSA-N 955.256 7.873 50 1 KKGF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=NOc5ccc([N+](=O)[O-])cc5)[C@@H](Cl)C[C@]4(C)[C@H]3CC[C@@]21C 2356864160 NNFGKFKPLQYECP-GQKPSDQBSA-N 503.039 6.521 50 1 KKGF C=C1CC[C@H](Br)[C@]2(C)CC[C@@H]3O[C@]3(C)CC[C@H](C(C)(C)O)OC(=O)c3ccc(O)c(c3)C[C@H]12 13379798 DRPSOKQUGMQRLO-BHCAHHRJSA-N 521.492 5.699 50 1 KKGF biogenic O=C(/C=C/c1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(O)c2[nH]c4ccccc4c32)cc1)N1C[C@@H](CCl)c2c1cc(O)c1[nH]c3ccccc3c21 26157649 XMLALGZYAUPYDH-IFGLEMFVSA-N 727.648 9.132 50 1 KKGF COc1cc(C)c2ccc(O)c(C(=O)OCCOC(=O)CCCc3ccc(N(CCCl)CCCl)cc3)c2c1 28456973 GSRVNXKHJCDECZ-UHFFFAOYSA-N 562.490 5.869 50 1 KKGF CCO/C(O)=C1\C(C[S@](=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40663186 XWKVZVJGLZEYER-YIWSQARLSA-N 508.949 6.308 50 1 KKGF COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCCCCCCn2cnc3ncnc(Cl)c32)OCO4)cc(OC)c1OC 95575322 NLJJTLKAPRGXNM-VSGBNLITSA-N 649.100 5.382 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)c4nc6ccccc6[nH]4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O 95616208 PUEWNJHMRLQANI-NLEMIDPISA-N 762.995 9.636 50 1 KKGF N#CC1=C(N)OC2=C(C(=O)CC(CCCCBr)(CCCCBr)C2)[C@@]12C(=O)Nc1ccccc12 98082467 SNQMFHGRXQKDFO-VWLOTQADSA-N 577.317 5.334 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccc(Cl)cc2)c1 103184447 NRKQHZGUKJFYBA-XZOQPEGZSA-N 587.257 6.299 50 1 KKGF CCN(CC)C(=O)OCc1ccc(S(=O)(=O)CC(C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3C[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 169368437 GNCYAUPCYWWQAP-NPNWLLESSA-N 856.176 9.253 50 1 KKGF O=C(CCC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2)NNC(=O)CCC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 194907774 RPKDUSNTVQLLLU-LZCGGXSTSA-N 841.066 5.387 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@H](c1ccco1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195181678 QHPKUAWSKSIHPM-POURPWNDSA-N 561.880 10.464 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@@H]1O 195511728 MUQIOBLJHGULKS-BXXPORAJSA-N 728.161 5.452 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@](c2ccccc2Cl)(N(C)C(=O)CCl)CCC3)c1 587358788 UOKZTYVWDGZDMA-HKBQPEDESA-N 545.466 7.587 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(SC(F)(F)F)c1 587557530 SKJHVSHFUYOXBX-NQIIRXRSSA-N 511.315 6.256 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587672439 FWJUCAFTGOFCPU-BIBXISHDSA-N 516.205 5.240 50 1 KKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587687945 JBUOCRZLWCSKJP-GENHPLMOSA-N 511.866 7.390 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2C(C)(C)[C@]12OC(C)=O 587813635 WINCTAXUEDMZIK-OBLPWDTOSA-N 828.901 8.722 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587852727 ICJPPXAIYNHTJN-SRGMZFCMSA-N 595.365 7.275 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(Oc2ccc(NC(=O)CCl)cc2)cc1 587886365 OCVAPRZYWIUEBL-UHFFFAOYSA-N 501.797 5.673 50 1 KKGF COC(=O)c1sc(NC(=O)c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)s2)c(C(=O)OC)c1CBr 587897878 YXMWWKUQQJKQRY-UHFFFAOYSA-N 658.379 5.547 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](C)(CSC#N)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369411 XOYNWJRHCZGBNX-LITSAYRRSA-N 514.603 5.170 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(/C(=C(/C)NNC(=O)Cc3ccccc3)C(=O)c3ccccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963797644 ZGOJCXVAFDLODK-YEUBZXAKSA-N 654.723 5.030 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1ccc(Cl)cc1)c1ccccc12 1772618646 QFCJBEGDMHYKAX-BHVANESWSA-N 633.071 6.089 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)[C@H]2CCC(C)C 2356349500 GUSRCACVHALBFZ-MYTGJQTCSA-N 789.162 8.602 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356365794 RXYOMWGCEABMTL-KZWSZHEOSA-N 946.279 6.278 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5C=C[C@]1(O)C[C@@](C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]3CC(=O)c1cc[nH]c1CC#C2)(C4)[C@H]5CCC[C@@H](O)CO 2356367016 UQKJANSSRLGYIM-PGPREYMDSA-N 930.202 7.456 50 1 KKGF CC(C)=CCCC(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)=C1CCCCC1 2356767438 BEZCYMDSTHRDBG-PEINCPOXSA-N 554.812 6.675 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@@]54C)[C@@]21O 2356773513 BGBRALBNNYSAKD-DAPQTFEYSA-N 815.199 8.506 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc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c1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283555 CBLOATFLKZWZOJ-QLQYKETESA-N 589.643 6.724 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1cc(F)ccc1F)C(N)=C(C#N)[C@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96908483 HKZNAPPFMUFASJ-SSEXGKCCSA-N 608.048 7.771 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1cccc(Cl)c1 103950350 MWJSOOVJEIYRIC-GOSISDBHSA-N 539.829 5.613 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@H](NC[C@H](C)O)[C@@H](C3CCCCC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 150344101 MWBMZWPJRURSPW-PFKLWPBRSA-N 907.212 9.009 50 1 KKGF biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1 150627462 BAUKTNHOKZWDME-UHFFFAOYSA-N 871.020 8.479 50 1 KKGF c1ccc(CNCCCCCCCNCCSSCCNCCCCCCCNCc2ccccc2)cc1 169325857 AVLWONWUYKDLTG-UHFFFAOYSA-N 558.946 7.028 50 1 KKGF CCCCCCC[C@H](Cl)[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC[C@H](Cl)COS(=O)(=O)O 169621828 WAZWQAUPFQVNCE-AMYLDRNJSA-N 703.015 8.292 50 1 KKGF COc1ccc2nc3c(c(C)nn3[C@H]3CN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c(Cl)c2c1 170114626 KJKHKONBZRHHSR-SQJMNOBHSA-N 662.241 6.073 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 195247924 UXWIVRBMVBCLQU-LTBWWVBFSA-N 552.752 6.969 50 1 KKGF CC(C)N1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 207725663 BICRABDPLNFWOV-GPQHKOMYSA-N 651.791 5.425 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2c(Br)ccc(Br)c2[nH]1 587009458 GNNCDXZOIPKZCN-HNNXBMFYSA-N 510.617 5.208 50 1 KKGF NNC(=O)c1ccc2nc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)c3ccc(F)cc3)[nH]c2c1 587167919 ZXCMSQOKVAMUBY-MHZLTWQESA-N 535.579 5.128 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(CC(=O)c4ccc(O)c(CCC)c4O3)C[C@@]21C 587464881 CKRWXSVYGWSIGR-FFPLQKMTSA-N 655.203 7.195 50 1 KKGF COc1cccc(C(=O)[C@H](Br)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587671856 VCSXDVUZSCBZMK-WIDSHULWSA-N 577.288 6.030 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587672484 FZHMJGNPMXZZHA-OWJWWREXSA-N 564.249 6.248 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 587672832 IJHOMVJPLNAVDU-YVORESIASA-N 537.270 7.658 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(-c3ccc(C(=O)CBr)cc3)cc2)N1 587674347 WHTJUFZSCJMIIP-BZQUYTCOSA-N 610.159 7.006 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 587711810 MKFHALBAOCGJHL-XYZCENFISA-N 549.122 6.799 50 1 KKGF O=C(O)[C@@H]1C[C@]23[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@]2(C[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl 653764987 PRQKLNWDZMXELK-XVHAKUNFSA-N 643.130 6.196 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](C)(CCBr)N1 963159658 RACUCPPQZKKWAJ-IZEXYCQBSA-N 570.531 5.967 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2cccc(Cl)c2)([C@@H](C)Br)N1 963163887 SCJHZDRLCCKMLN-IZKBETSDSA-N 667.047 7.647 50 1 KKGF Cc1ccc([C@@]2(CBr)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)c1 963195668 ZZWANLNQZTZNMW-IUDBTDONSA-N 586.482 6.795 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2oc(C)nc2C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963368552 RGCWRBADJPMKOK-GMCHKSTQSA-N 617.496 5.984 50 1 KKGF COc1ccc(S(=O)(=O)Nc2cc3c(C(=O)NNc4ccccc4)c(C)n(S(=O)(=O)c4ccc(OC)cc4)c3c3ccccc23)cc1 1772578436 OJVWRDIHRMOSNC-UHFFFAOYSA-N 670.769 5.915 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N[C@@H](C)O 2356351907 HQLOGJHLODEXRU-SMDXBLHCSA-N 951.398 6.854 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356367543 AWIKEZZZALCXLX-RDJDYTTRSA-N 997.330 9.858 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@]6(O)[C@H](OC)C=C(O)[C@H]6[C@H]4[C@@]35C)C[C@@H]1C2 2356369083 PYUMAYNGEOTZNK-CMANRCMISA-N 625.941 7.167 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](C4(CCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356373306 XRBRGIRABCLNTL-BLYKTJPBSA-N 936.383 8.475 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc(c(Cc6ccc(NO)cc6)c(=O)c5c3OC3CCCC3)[C@H](O)C[C@H](NC(=N)N)CSSC4)O[C@H]21 2356445173 XKMRDHOVSRVVSD-UBDBGMHNSA-N 682.865 5.456 50 1 KKGF CC=C(C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C(C=O)[C@@]3(O)CC(=O)C(C)=C[C@@H]3C(=O)O1)O2 2356457035 ASQRSYUZMDSTKU-OHFLAQKSSA-N 566.735 5.879 50 1 KKGF C=C(C=CC=C(COC1(O)CCCC1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356476741 JMLZQLAOZGZBIU-NCMAWEGRSA-N 841.187 7.258 50 1 KKGF C[C@@H]1C[C@H](C(=O)OC(=O)c2ccccc2)[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@@H]1C 2356586592 HBEBCPGUWLUVFW-RTLSRSLISA-N 664.927 10.109 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCC6)c(=O)oc5cc1O2)[C@H]43 2356587790 XFNVIBDEQIUJBN-YHQFAVJISA-N 855.092 5.790 50 1 KKGF C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(C(=O)OC)C[C@H](C)[C@H](OOCc4ccccc4)[C@H]3[C@@H]1OOCC)C2(C)C 2356673953 SDTJJXRTWBQJRR-IEBMLCBGSA-N 526.670 5.793 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CCC6(CCCC6)[C@@H]5O)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O 2356779535 VGORGWHFVNVLNK-VBSYGZKASA-N 972.273 5.718 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356812276 BSPLOVWBPFJBAV-YSGTYJGCSA-N 853.028 7.284 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H]7[C@H](CC[C@@H]8CCCC[C@@H]87)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356832023 HZAKLJZSHCLBIK-SVARIJOTSA-N 836.133 8.697 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](c1cccc(O)c1)C1=CC2=CN[C@H]1N 2356874734 YYQXEOXJZFUMSZ-CNKZEIRTSA-N 604.794 6.311 50 1 KKGF C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)[C@H]1SSc1nc2ccccc2s1 29318506 YHWBRLJBNYBQQP-OACXUXEDSA-N 555.703 6.483 50 1 KKGF C=C/C=C\CC[C@H]1O[C@H]2CC[C@@]3(C)O[C@H]4[C@@H](O)C[C@@]5(C)O[C@@H](CC/C=C(C)/C(C)=C/C=O)[C@@H](C)C[C@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@@]1(C)O 49783803 JPBOABGEVHVPNM-GFIBHCGLSA-N 656.901 6.476 50 1 KKGF in-vivo O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(F)cc1)SS/C(=N/c1ccc(F)cc1)OCCN1C(=O)c2ccccc2C1=O 49833173 VCTJGXXVNZRXBS-YEQLPCBTSA-N 686.718 6.647 50 1 KKGF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](N(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)c2cc3ccccc3nc2-1 49898840 LXTRNFUNIUADTQ-PJTQZDKOSA-N 646.656 5.058 50 1 KKGF COc1cc(/C=C/C(=O)N(/N=N/c2cc(C(F)(F)F)ccc2Cl)c2cc(C(F)(F)F)ccc2Cl)cc(OC)c1 72178363 YXFYVORYQDQNDY-IUPOQCCVSA-N 592.323 8.794 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(F)cc1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Cl 84706064 RQNXEIDCVKQRDJ-QHCPKHFHSA-N 522.411 6.444 50 1 KKGF CCC(=O)N1CCCC[C@H]1[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169851853 SDDAUTZIHMYSJR-VTWVNALESA-N 573.979 8.578 50 1 KKGF CCCCCC[C@H](Cl)C[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928824 OWZXJAFOLNMCCO-TUFLPTIASA-N 674.961 7.861 50 1 KKGF COc1ccc2c(C)c(CCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(=O)oc2c1C 586919315 ZUXCFPYCBYUPCO-UHFFFAOYSA-N 553.347 7.500 50 1 KKGF CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6c(Br)cc(S(F)(F)(F)(F)F)cc6[nH]5)cc4)nc(O)c23)C1 587040063 WGPCJCSSBBCVLT-GFCCVEGCSA-N 631.490 9.542 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191229 RKLWERNTWRVTMV-ZUZUSQGGSA-N 691.869 7.370 50 1 KKGF C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587321838 FMVBEAJBUOADDT-VFLZWKPCSA-N 503.353 5.946 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324948 VUNGRTUPXUMYII-DNCXPJJSSA-N 545.950 5.761 50 1 KKGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@@H](C)Cl)c(Cl)cc41)[C@@H](C2)C3=O 587419768 ZKQRSQMLKGFPMS-ZSLULKNLSA-N 508.357 5.150 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1c(NC(=O)[C@@H](C)Cl)cccc12 587687731 HLSIYMDMHRAIFN-YFONVMMFSA-N 527.821 5.525 50 1 KKGF CN(C(=O)NC(=O)c1c(F)cccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 653857980 VGRAPKWPCUXTFE-LODFRUGASA-N 579.429 5.209 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)NCCc2c1c(C(C)C)nn2C 962914118 CJIFJPQWKGLKEL-RPLLCQBOSA-N 513.236 6.282 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(OC)c3c(O)coc23)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946086 BBXJQGPFIINTOJ-SAFCTDAYSA-N 700.279 5.766 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nn1 1857749563 IWKIVWFHFCUCFE-SANMLTNESA-N 578.760 6.241 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccsc1 1857762303 NIGLFRRPVQIMDZ-MWZNJTOFSA-N 647.838 7.618 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CC[C@H](CCc4ccccc4)C[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356291853 DPWHXRIQAKJSJD-NVIQGOSNSA-N 984.294 8.759 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@@H](C6CCCCC6)CSSCNc6cc(ccn6)CC3=C4C(=O)O5)[C@H]21 2356314554 VAIJUJRYLJEZIO-NTUASPNBSA-N 644.903 8.686 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356395948 YSZWKXRRCFZDNI-HLKSFTNFSA-N 705.333 10.483 50 1 KKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O 2356706473 GOJQFVQXKNNAAY-UHFFFAOYSA-N 568.886 11.312 50 1 KKGF CCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@@H](C)C1(C)C)O[C@@H]2O 2356752891 CAEDYXLYBKMFFK-JYTRHYRQSA-N 683.027 10.276 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(C)O)CCC=C(C)CCCC(C)C 2356775083 HPMZVMXLIXSKCH-QGEDGWEGSA-N 580.850 6.799 50 1 KKGF CC1=C[C@@H]2O[C@H](OO[C@@H]3O[C@@H]4C=C(C)CCC=C(C)CC[C@@H]5O[C@]5(C)CCC4=C3C)C(C)=C2CC[C@]2(C)O[C@@H]2CCC(C)=CCC1 2356801793 QUTQBDXTYWLOSB-RCPQRVPFSA-N 634.898 9.826 50 1 KKGF CC1=CCCC(C=O)=C[C@@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)CC(C)=CCC1 2356813656 XJBILGKCOVAJTM-QHCPKHFHSA-N 527.573 7.137 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@@H](c2cccc(O)c2)SSC1 2356844024 NRTDFZWNXTXSHS-QYKQEUBESA-N 606.810 6.537 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@@H](O)SSCNC7=CC(=CCN7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356849921 PNJVWOJMWBMLLT-WNMUMRONSA-N 717.010 8.476 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@H](O)[C@@H]3C[C@@H]1CC[C@H](C3)C2 2356853653 RIEAKGDHUILAGS-UGCTXMPHSA-N 802.116 6.018 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1cccc(NC(=O)CCCC[C@@H]3CCSS3)c1)O2 27434081 WZYMNBQOXLGFCE-DFHRPNOPSA-N 528.740 6.692 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@@H](CCCSS1)[C@@H](O)CC(=O)CC2 85597438 YMTWOTBOXWKPHH-LROUJFHJSA-N 524.704 6.806 50 1 KKGF biogenic,in-vitro CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(O)cc1)N(Cc1ccccc1)Cc1ccccc1)C(=O)O 169319356 RNSKOMMRSCYPKM-SVWSIEHRSA-N 932.003 6.422 50 1 KKGF CCCCCCCC/C=C\CCCCCCCC(=O)OC/C(=C\C#N)COC(=O)CCCCCCCCCCCCCCCCCCC 238760380 DUVFKUOPHLSSOG-QKLWLLGKSA-N 672.092 13.602 50 1 KKGF CC(=O)c1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3ccccc3)[C@@H](O)CN(Cc3ccc(-c4ccccn4)cc3)NC(=O)[C@H]3CN(c4cccc(C(C)=O)c4)C(=O)O3)OC2=O)c1 253920457 BEQKYIIVCGSEAQ-QSJDGAHRSA-N 824.891 5.126 50 1 KKGF O=C1[C@H]2C[C@@H](SS[C@@H]3C[C@@H]4C(=O)N(SC(Cl)(Cl)C(Cl)Cl)C(=O)[C@@H]4C[C@@H]3Cl)[C@@H](Cl)C[C@H]2C(=O)N1SC(Cl)(Cl)C(Cl)Cl 263593317 BCRRQTMYMQMOAZ-YALKTZAFSA-N 833.172 8.276 50 1 KKGF Cc1ccc(-n2cnnc2SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1Cl 586967552 AWVOJYGOFYSALJ-UHFFFAOYSA-N 560.799 7.818 50 1 KKGF COc1ccc(Br)cc1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587319541 CALYIVSYMGFCDX-GGAORHGYSA-N 536.191 5.952 50 1 KKGF O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321029 HVEXMKHBOMNJKC-IGYGKHONSA-N 575.430 6.467 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)ccc1Br 587540638 PYKMRZJMHUTHJA-LEAFIULHSA-N 552.852 6.967 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(I)I)(C(F)(F)F)N1 587740553 YHWXYPDAVAKQOQ-BLTYZCFWSA-N 577.923 5.076 50 1 KKGF C[C@@]1(c2cc(F)cc(S(F)(F)(F)(F)F)c2)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961885 XBITUZDCOPPULV-IBGZPJMESA-N 505.446 7.417 50 1 KKGF C[C@@H]1CC[C@]2(c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](Br)C1 963090930 SPIYLUNETNELBI-LBDRINLVSA-N 580.566 7.769 50 1 KKGF CC(C)(C)c1nn(C(=O)CCCCl)c2c1[C@]1(NCCc3c(Cl)cc(Cl)cc31)c1ccccc1-2 963119813 IKOSYRQXDMHHDK-SANMLTNESA-N 502.873 6.565 50 1 KKGF COc1cc2c(cc1OC)[C@](c1cccc(CBr)c1)(C(F)(F)F)N(C(=O)c1ccccc1N)CC2 963149186 SQOJFFFUWBBMPE-RUZDIDTESA-N 549.387 5.685 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H](O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 1857640383 SHIUREKJVWKXFA-WWELILDPSA-N 570.846 6.352 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCNC3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857773557 IROMHTYFTLXWQY-ZQYLBFIGSA-N 960.120 6.955 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@@H]([C@@](O)(CCCCO)C1CCN(CCCOC)CC1)C3 2356350207 WYMWEYDPERKBLC-IPQRENSOSA-N 844.999 5.066 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@H](C)NCC2=C[C@H]1CCC2 2356357853 VGLJIRRXURVOGW-HKPYQONTSA-N 701.005 5.933 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)[C@@H]2C=CC[C@](C)(O)[C@H]2O3)O1 2356428567 PUWVYRQJEAWNIC-SCDPXQSASA-N 595.648 5.431 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCO)(CSSCO4)[C@@H]85)C[C@]4(CCC[C@]45CCC4(CCCC4)C5)C[C@@H]7NN6)[C@H](O)[C@@H]3O)c2c1O 2356493667 AQJIHVSILVWPLJ-MVGKDKAESA-N 983.256 6.488 50 1 KKGF CC(C=O)=CCCC(C)=CCCC(C)=C[C@H](O)CC=C(C)CC[C@H]1C(C)(C)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)CC[C@@]1(C)O 2356521423 XGRHDCURGCZZNS-IDBUTQBSSA-N 606.841 5.074 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356741262 YIGFHTWWEFEFBG-ORGSKYFKSA-N 847.237 9.652 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@H](CO)C2=CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)O1 2356752608 CJCWTBBBFFKQTA-IJYNIIIASA-N 603.635 5.166 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@](O)(CO)[C@H](O)C[C@@]6(CSSC[C@@H]7CCC[C@H](CO)[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@@]7(O)C3=CC6=O)[C@]54C 2356773863 KXBHNRURUPYJCL-LHAVMITASA-N 934.271 6.136 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](OC(C)=O)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356786547 AVRZFLNHFOPIIM-YSELVQBLSA-N 939.457 16.250 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSSCNC9=CC(=C3CN9)[C@@]1(C2)[C@H]4[C@@](O)([C@@H]6O)[C@@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]7C8=O 2356865236 WJYRPPPWACXLQK-UDSZNNTPSA-N 991.238 5.999 50 1 KKGF CO[C@@H]1[C@H](OC(=O)NC2(COC(=O)Oc3ccc([N+](=O)[O-])cc3)CCCC2)CC[C@]2(CO2)[C@@H]1[C@@]1(C)O[C@H]1CC=C(C)C 2356871690 KYFBDKVCGSZEPB-ZSCAZONESA-N 588.654 5.226 50 1 KKGF COc1ccc(Nc2ncnc3ccc(NC(=O)Nc4ccc(N(CCCl)CCCl)cc4)cc23)cc1Cl 72173582 CCRZGGQIDQJTGY-UHFFFAOYSA-N 559.885 6.963 50 1 KKGF C[C@@H]1[C@@H](CO)C[C@@H]2CC3=C4CCC[C@]5(CSSCC[C@]2(C)[C@]31CC4=O)N=C(N)NC[C@H]5Cc1ccccc1 85549436 IHAHPHIPCGBJIH-LZCSHUTJSA-N 553.838 5.388 50 1 KKGF biogenic,in-vitro O=C1c2ccccc2C(=O)[C@H]2NC(CCCCCSSCCCCCC3=N[C@H]4C(=O)c5ccccc5C(=O)[C@@H]4N3)=N[C@H]12 102986000 UDMROSGADNIYNT-HCOFYKJDSA-N 602.782 5.125 50 1 KKGF O[C@@H](CCl)CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2CC[C@H]1c1cccc(OC(F)(F)F)c1 116676844 DLNHKQIOTRJLQP-MBSDFSHPSA-N 545.907 7.244 50 1 KKGF CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 150347324 QEWHVEXDBGVRDF-VFLZVOCASA-N 977.388 10.619 50 1 KKGF biogenic,in-vitro COCO[C@@H]([C@@H]1OC(C)(C)O[C@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](CNC(=O)c1ccccc1)c1ccc2c(c1)OCO2 170121663 CYXOVJGWTISSSU-ZXSZDXTFSA-N 711.928 6.015 50 1 KKGF CC1(C)C(=O)[C@H](Br)C[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]([C@](C)(Br)CBr)CC[C@]3(C(=O)O)CC[C@]21C 299805958 IPLNOHYKFZGNFG-OGHGMJAYSA-N 693.399 8.644 50 1 KKGF COc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1S(=O)(=O)Nc1ccc(Br)cc1 586948199 KZPXPDDHFNPSRV-UHFFFAOYSA-N 663.282 8.222 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc2c1 587051227 ZHRQLRCHRKKLQP-UHFFFAOYSA-N 559.785 10.123 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(=O)O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190127 IEJGXUFBKVKLQX-RJCQRBOISA-N 605.776 6.293 50 1 KKGF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587267300 WUWAYXJRYOHYPH-UOWDBTKRSA-N 562.271 6.333 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587322249 LTLQPALXZKTNKV-YZNIXAGQSA-N 537.469 7.530 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)O2 587414854 OZNRGGNFZRCQFI-SSEXGKCCSA-N 537.125 6.901 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626928 ZHUGVUJUQWCDPS-PSWPBPFISA-N 734.105 8.115 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 587672168 DKCIQJXFIRTBFG-QTUIEGNUSA-N 579.392 7.223 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 587717999 HFISIGCDPRDORM-QVHKOIDPSA-N 503.078 5.456 50 1 KKGF Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587953917 WGZJAOMZEGTZCJ-VXKWHMMOSA-N 663.415 7.808 50 1 KKGF CC1(C)CC2=C([C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)[C@@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961616083 QRWVOPOMPGFOPD-LXFBAYGMSA-N 536.901 6.558 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCBr)(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 963027635 SYFJMBLNOPVBRK-HOFKKMOUSA-N 555.831 6.141 50 1 KKGF CCOC(=O)[C@@H](c1nc(C)cs1)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089307 GUZABRATOGOKBI-QUBOUHRKSA-N 651.228 7.536 50 1 KKGF COc1ccc([C@@]2(CBr)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1[N+](=O)[O-] 963189114 OQSOEVWKRURINF-HVNZXBJASA-N 633.451 6.095 50 1 KKGF O=C(O)[C@@H]1C[C@]23[C@H](Cl)C(Cl)=C(Cl)[C@H](Cl)[C@@]2(C[C@@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl 1857545122 ADUXZDNWGRINDQ-FYZANRJOSA-N 641.114 6.671 50 1 KKGF C=C[Si](C)(C)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857570295 KFXZAEMCTUJRMY-JLKCSEOZSA-N 554.800 5.308 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)NC(C)(C)C)[C@@H]12 2356339378 KABLNYFUJKBLHV-QUWXHJKFSA-N 537.785 6.953 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356351529 ZLOWUTPSRITHJP-HXTDHCBLSA-N 776.967 5.062 50 1 KKGF C=Cc1c(C)c2cc3nc(c4c5[nH]c(cc6nc(cc1[nH]2)C(C=O)=C6CC)c(C)c5C(=O)C4)[C@H](CCC(=O)OCC=C(C)C[C@H](C)C[C@H](C)CCC[C@H](C)CCCCC)[C@@H]3C 2356469642 VLMUKTSQARJLRE-MTSFDJDYSA-N 827.167 13.429 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2)N1 2356492125 XONQSERXDWQTFG-VASJJIMZSA-N 767.027 6.190 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356515403 NWTZMBNBNDACRI-AMLMHTAESA-N 837.199 7.951 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@]2(O)CC=C[C@@H]4CN(CCCOC)CC[C@H]42)O3)O1 2356773425 ZBMHFLSUXAMSHG-JNMWYSIJSA-N 881.032 5.229 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356839107 WNORWPJQDUDYBN-DAECZMBMSA-N 758.983 6.123 50 1 KKGF COC(=O)C1=C(C(=O)NNc2ccccc2)N(c2cccnc2Cl)C(c2ccccc2)=C[C@@H]1c1ccccc1 5848497 UGXSAVCHGLFGQE-XMMPIXPASA-N 537.019 5.950 50 1 KKGF Cc1ccc2c(c1)c(C(=O)Nc1ccccc1)c(SSc1c(C(=O)Nc3ccccc3)c3cc(C)ccc3n1C)n2C 14944323 TUPADNGSOVYYFT-UHFFFAOYSA-N 590.774 8.591 50 1 KKGF O=C(CSc1nnc(Cc2c(NC(=O)c3ccccc3)sc3c2CCCC3)n1NC(=O)c1ccc(Cl)cc1)N/N=C/c1ccccc1 72173170 XCGFQIAYNVIMQG-ZSNJKBEMSA-N 684.247 6.341 50 1 KKGF CCCCn1nc([C@@H](Br)CCC)n(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1=O 95542052 FILCPVIRXAZFND-KDXMTYKHSA-N 752.761 9.290 50 1 KKGF COC(=O)[C@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2)C(C)C 103231917 GTNKORAVWOMXTR-FTAMIKGASA-N 604.832 6.520 50 1 KKGF CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C4=C[C@]5(C[C@@H](Cl)CC[C@]5(C)[C@H]3CC[C@@]21C)NC(=S)N4)C(C)C 118921787 BUVXUFKRQYZWBF-HREVSRIXSA-N 503.240 7.831 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O 150345674 XLWXSJGQPGEKIK-RFWFIOCFSA-N 688.828 5.814 50 1 KKGF biogenic,in-vitro Cc1cc(C(=O)OCC(C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc(C)n1 299829810 IAVITJUNSHQGMY-IPKUVWNOSA-N 739.947 7.753 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(Cl)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1ccnc1 299839786 ZFVCMFNKMKESQA-HURDLCFYSA-N 505.058 6.745 50 1 KKGF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@H]21 586958141 GIVRQSPJNHJLTR-ZNOIYHFQSA-N 586.446 7.677 50 1 KKGF Cn1nc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(I)c1C(=O)O 587180754 ZHFHHCZCYBBLPS-UHFFFAOYSA-N 573.079 5.686 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(Oc4ccc(N)cc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189933 GOASYNNVNKVZCF-UDQBODKSSA-N 668.879 7.969 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497615 DBDDBBPQNUJZPR-UGKGYDQZSA-N 508.206 5.427 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)c3ccccc3C1=N2 587506160 NWTCWPOUTKGBRJ-XIFFEERXSA-N 515.613 6.577 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1 587545554 RNEZWNVNGSKYCH-SQHAQQRYSA-N 504.926 5.804 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(Br)c2)N1 587721481 WAPZMANZVADOLU-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(Br)cc1 621477414 JPZFQTAMQSANLU-MOPGFXCFSA-N 621.450 5.377 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCCCCl)CC1OCCO1 962998189 SPURNBIUJBQWLG-MUUNZHRXSA-N 550.479 5.382 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCl)(c2ncc(Cl)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963063183 ABBJWJIALUCJER-MMEOBGCCSA-N 763.542 8.313 50 1 KKGF CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCSSC(C)(C)CNC(=O)c1cccnc1 1772604934 OCZNKXWAYHBESF-YNUSHXQLSA-N 595.919 8.566 50 1 KKGF CC1=C(CO[Si](C)(c2ccccc2)c2ccccc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O[Si](C)(c5ccccc5)c5ccccc5)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857599984 PFUGAHMHGPUHAR-YJRCBYSYSA-N 863.256 8.181 50 1 KKGF CCCCCCCCCCCCc1c(O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)cc(CCCCC[C@H](Cl)CCCCCCCCC)c([C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1O 2356324016 HCBVATPLVALITE-QPEKEQPNSA-N 801.543 8.067 50 1 KKGF C#CC#COO[C@H]1[C@H]2[C@@H](OOCC)C(=C)[C@@H](OCc3ccccc3)C[C@H]3[C@@H](C=C(C)C(=O)[C@@]2(C(=O)OC)C[C@H]1C)C3(C)C 2356426231 ZZLOONXXVOECAY-UNILMEHRSA-N 590.713 5.382 50 1 KKGF CCCCCCCCCCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1 2356562990 LZMVCENJBDTSPS-WEQMGYFSSA-N 627.347 8.744 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c1c4[C@H](CC[C@H](C(C)=O)N1)C[C@@H]3CO)CC(=O)CC2 2356573951 HJMFNUVCQMXWNB-VQQLCELVSA-N 955.249 8.687 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@H](O)C5(CCCCC5)SSCCC[C@@H]4O)c3c(=O)c2O)c2c(c1O)Cc1cccc(c1)[C@H](NC1CCCCC1)CSSC2 2356589661 NGRNBHPIYIRGPO-KQTOKXEHSA-N 922.310 11.352 50 1 KKGF CO[C@H]1[C@@H](C)[C@@H](CC(=O)OO)O[C@@H]([C@@H](C)[C@H]2O[C@@]3(CC[C@](C)([C@@H]4CC[C@](C)([C@@H]5O[C@H]([C@@H]6O[C@](C)(O)[C@H](C)[C@H](OC)[C@@H]6C)[C@H](OC)[C@@H]5C)O4)O3)C[C@@H](OC)[C@H]2C)[C@@H]1C 2356703995 DHYSCHSUXDLLKZ-GFDBLYGPSA-N 815.051 5.540 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@@H](c3ccccc3)CC[C@]43C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@H](O)C2)C4 2356741590 BXMKFVBMCYBUDH-WPHWRMBXSA-N 977.391 10.707 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@@]45C[C@@H](CSSC[C@@H](CC[C@@H]3O)[C@H](C)CC[C@H]4NCCO2)C2(CCCC2)C5)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O 2356770789 ICQBAGXTIMPJGZ-MIAOXUQFSA-N 992.354 6.424 50 1 KKGF C=CCCCC[C@H](C)CCCCCC#CCC[C@@H](OC)C(=O)OC(=O)[C@@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC 44307386 VOGBKCAANIAXCI-CDBYGCFJSA-N 626.963 10.319 50 1 KKGF C=CCc1cc(-c2cc(CC=C)c(O)c(CN(CCCl)CCCl)c2)cc(CN(CCCl)CCCl)c1O 73391129 JIJAVEFWHNHZEC-UHFFFAOYSA-N 574.420 6.781 50 1 KKGF Cc1nn(-c2ccccc2)c(SSc2c(C(=O)N3CCCCC3)c(C)nn2-c2ccccc2)c1C(=O)N1CCCCC1 96908511 YIDZQSUKWBZBQG-UHFFFAOYSA-N 600.814 6.726 50 1 KKGF COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)/C=N/N(C(C)=O)C(C)=O)CC[C@]43C)[C@@H]2C1 96931576 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CC(C)(C)[Si](C)(C)OCc1cc2ncc([C@@H]3c4ccncc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)cc2o1 962411208 ZQIGWAMQFFBZER-VLZNPVHKSA-N 661.831 8.094 50 1 KKGF N#CC1=COc2cc(Br)ccc2[C@@]12c1ccncc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 962469489 ABEBTOJVZZAPHO-CPBHLAHYSA-N 620.459 6.148 50 1 KKGF CCOC(=O)C(C)(C)[C@@]1(CBr)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(C(F)(F)F)cc1 962670615 HCNFZAMNAJHZGD-RUZDIDTESA-N 572.418 5.601 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@]23NCC2(CCOCC2)c2cccc(C(F)(F)F)c23)N1 962950097 DYBAAQSBRHAPIK-SUYBVONHSA-N 551.628 6.950 50 1 KKGF CC(C)C[C@]1([C@@H](Br)[C@H](Br)c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951050 GDXIXFVJLAZXBN-CUYJMHBOSA-N 589.334 7.498 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cccc(OCC(F)(F)F)c1 963194695 OBBSOXZPKBAMDC-RPBOFIJWSA-N 515.373 6.389 50 1 KKGF O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 1772617439 UKGJXEVJOJYKBL-MAXPZWNWSA-N 565.949 5.397 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccoc1 1857754023 UGYIVNBCXNDXHV-MWZNJTOFSA-N 631.770 7.149 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc2c(cn1)CC[C@@H]1CC4(CCCC4)C[C@@]21C[C@@]1(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]1O 2356299982 IWFQDGYJVXTRRT-PZZPJQTCSA-N 927.151 5.879 50 1 KKGF CC1(C)O[C@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@]3(C)[C@@]2(C(=O)CCl)O1 2356331915 VSVSLEMVVAYTQW-GCFPHFQSSA-N 505.841 5.129 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356450822 KDMQORFDIMCBAO-YLPFEBNSSA-N 842.130 6.305 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356488823 ASHGPPQUHHGQDO-ZSUKAKRJSA-N 833.210 9.261 50 1 KKGF 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CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356371183 WXPJVRFXKNFYLX-HVCBQWMISA-N 806.993 5.158 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCCO)c1cc(CO)c3c4c1C[C@H](CO)C[C@H]4CC[C@H](C(C)=O)N3)CC(=O)CC2 2356393437 KATZATUJIVNKMN-WBHZHHCJSA-N 929.211 7.983 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C1=C(C=O)CCC[C@@H]1C[C@]2(C)O)CCC=C(C)C 2356407172 ROLOCADEZILRGJ-RFZFDNRPSA-N 512.731 5.360 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@H]2O)O3)cc(OC)c1O 2356529522 JLBJMKHHDLHGGX-GEYNGCKESA-N 696.884 6.422 50 1 KKGF CC1(C)OC(=O)C=CC2=C1CCC1=C(CC[C@]3(C)[C@H]([C@@H]4C[C@H]5C[C@H]4OC(=O)[C@]5(C)O)CC[C@@]13C)[C@@H]2OO 2356537036 WYQHRRVAISWYHU-PBVKTUINSA-N 512.643 5.042 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@@H](C)N[C@H](O)C2=C[C@H]1CCC2 2356637084 GQGZUQYWRNQNSJ-LBNBFINASA-N 717.004 5.251 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(CCCC(C)C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@@H](C)O 2356722290 BZCNQRGBAJRTJC-LKCDSTPDSA-N 995.495 8.415 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)[C@H]2NC[C@@H](c3cccc(c3)C1)[C@H](C)N2 2356774082 QICZKHKPZDWUKQ-CHCXCRPUSA-N 726.015 5.035 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CCC[C@@H](CC45CCCC5)[C@H]3O)C=C12 2356809956 AUNFOMAWVKQADD-PLDXNAAHSA-N 884.262 7.895 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356850318 PPGSCVQSXXXXGB-QSYSFPHXSA-N 732.021 7.595 50 1 KKGF CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCc4cn(CCCC[P@@](=O)(F)OC)nn4)cc3S(=O)(=O)O)c3ccc(=[N+](CC)CC)cc-3oc2c1 95538158 MDVAJVZQHDPYHR-XHIZWQFQSA-O 791.885 5.769 50 1 KKGF N=C(N)c1ccc([C@@H](NC(=O)CCSSCCC(=O)NCCNC(=O)CCCC[C@H]2SC[C@H]3NC(=O)N[C@@H]32)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 95546273 HFTCHVWOKABTBT-FQJZZGSISA-N 842.019 5.556 50 1 KKGF COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc(C(Cl)Cl)c2)cc1 96271948 ZGCCZHRBZWGSJI-QHCPKHFHSA-N 516.421 6.007 50 1 KKGF CCCCNC(=S)NC1=C(C#N)[C@@H](c2ccc(Cl)cc2Cl)C2=C(CCCC2=O)N1c1ccc(S(N)(=O)=O)cc1 101879429 IPMQIBBOLQEKFZ-XMMPIXPASA-N 604.585 5.251 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](C[C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NCc3ccccc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253805319 LQCSCUOIVIKCOS-DMUQFAOESA-N 709.921 7.200 50 1 KKGF C=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CC[C@]2(COC(C)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299819174 BMHXFQWMZGNWLC-IQOHMJCUSA-N 788.086 11.113 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586972966 DIJZYTOCXCXNBW-HNNXBMFYSA-N 569.411 6.892 50 1 KKGF O=C1C[C@@](CBr)(c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 587529659 ANVGQPNKYQYPAE-GOSISDBHSA-N 535.095 6.408 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1 587674204 UPRPMWBSPBARSM-NPMABZOXSA-N 558.116 7.616 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 587687337 ZZXSCCGWLAQPNR-OZAJXLCCSA-N 567.242 6.153 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 587689458 SPPPLLVTRPKVRA-DXHOUVOYSA-N 532.797 5.520 50 1 KKGF COc1ccc(/C=C(\C#N)[C@]2(C(C)(C)C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(OC)c1OC 587731174 HUKLQLJVXYRLEW-QXHFHSDYSA-N 517.439 5.997 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587737432 FJCAQXVPMJGNFZ-VXTFZIIKSA-N 739.094 6.409 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089629 GLXVEKHBAHGFQM-IKYOIFQTSA-N 712.438 8.258 50 1 KKGF C[C@@H]1CC[C@@]2(c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](Br)C1 963090933 SPIYLUNETNELBI-PBTUPCBNSA-N 580.566 7.769 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)([C@@H](C#N)c2nnc3n2CCCCC3)N1 963169168 DZAYWPNFWIQBSH-LILWHGISSA-N 672.233 6.026 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2ccc(O)c([N+](=O)[O-])c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963363555 DRYGPGPQSDZOGO-RYCFQHDISA-N 659.489 5.993 50 1 KKGF O=C(Cc1ccc(O)c(O)c1)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857575578 DHMAKMJNNQPSGI-UHFFFAOYSA-O 568.718 6.871 50 1 KKGF CO[C@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@]1(C)CC(=O)N1CCN(c5ccc(C(=O)NS(=O)(=O)c6ccc(NCC7CCOCC7)c([N+](=O)[O-])c6)c(Oc6c[nH]c7nccc-7c6)c5)CC1)[C@@]24OO3 1857766342 FJJRERLCWDCKRW-HMNCZYBZSA-N 974.103 6.436 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)CCC=C(C)CNCC 2356352837 CHCKEAKMHNFOSD-GJGIOIHCSA-N 642.966 6.098 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](OCNCCc1cccc(O)c1)CC(=O)CC2 2356365468 MPGADWNIFAWGJS-PMERELPUSA-N 647.859 7.764 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](O)(CCCCO)C1CCN(CCCOC)CC1)C3 2356431856 HMJLYNKLXVLNNK-BLUDSQGJSA-N 800.946 5.313 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356457718 ADGOKAYXJMQJPT-FJTQLQQNSA-N 761.101 6.810 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356462561 XHEUFMOIEYKEEI-UOGBOLJCSA-N 803.005 6.186 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OCCCO)C(=C2C[C@@H](CO)C(=O)[C@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356572601 GTBBZKAUXZZGTJ-PRSHXHRPSA-N 745.866 5.364 50 1 KKGF CC[C@H](O)[C@@H](CCCO)Oc1cc(O)cc2oc(-c3cc(CC(C)C)c(O)c4c3CSSC[C@H](NC)c3cccc(c3)C4)c(O)c(=O)c12 2356671712 IQNWLTVCUCVSKE-OIFRRMEBSA-N 695.900 6.812 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356702905 BGBRAXXCZRMUGX-QILRDYDGSA-N 858.129 5.625 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@H]2O)CCC=C(C)C 2356777771 CUSSHMPZQDJBPY-YJMYINROSA-N 579.822 5.116 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356839600 LWFYZARFDBSVPL-RSWWCVBRSA-N 840.205 10.079 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@]4(C=O)OCSSC[C@H](c5cc[nH]c5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356846405 ONSFVSQGBBHMJA-ITOVDPIGSA-N 960.096 6.100 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@H]1CO)N43 2356853707 RIPMBGNCPPOVEY-QARKMNKOSA-N 709.971 5.983 50 1 KKGF CCn1c2ccccc2c2cc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc4c(c3)c3ccccc3n4CC)ccc21 29472681 JDEJQIKGSLFEHM-UHFFFAOYSA-N 690.894 11.246 50 1 KKGF CN(C)c1ccc([C@H](I)[C@@H](I)c2ccnc3ccccc23)cc1 38142128 QRJLZGHIQSBNID-OALUTQOASA-N 528.175 5.953 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H]([C@]2([n+]3cc[nH]c3)CCC3(CCCC3)C2)SSC1 85596432 CFHJDSJLHGUXQZ-AMNVEJBXSA-O 701.979 8.213 50 1 KKGF biogenic,in-vitro CCCCCCCCCCCC(=O)OCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOC(=O)CCCCCCCCCCC 95609987 WVLKLDDNKYBOEK-UHFFFAOYSA-N 785.170 11.654 50 1 KKGF N#CC1=C(N)OC2=C(C(=O)CC(CCCCCCCCCCBr)(CCCCCCCCCCBr)C2)[C@]12C(=O)Nc1ccccc12 98082472 PRIVFPATIRNXIO-DIPNUNPCSA-N 745.641 10.016 50 1 KKGF NC(=O)c1[o+]c2cc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@]4(C=O)OCSSC[C@H](C5=C[CH+]N=C5)[C@H]([C@@H]5CC#CCCCc6ccccc6/C=C/C5)CNC[C@]34O)ccc2c(=O)[c-]1-c1ccc(O)cc1 150343959 BWJAAWMJLSPFSX-YRPMOIGUSA-O 935.066 5.296 50 1 KKGF biogenic,in-vitro Cc1cc(S(=O)(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)Nc2n[nH]c(-c3ccc(Cl)cc3)n2)cc1Cl 150549986 CNBDKAVAABAXQE-UHFFFAOYSA-N 828.638 8.888 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 299815165 DFPBBOCDGYBNBR-CZSRPSAYSA-N 550.689 5.419 50 1 KKGF O=C(OC1CSSC1)c1ccc(C#CCCCCOC(=O)c2cc(Br)ccc2Br)cc1 299863084 KOKDIYJGSDDWRF-UHFFFAOYSA-N 584.351 6.511 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587321239 CSDPBURFSVWVDG-NRFGLVKKSA-N 576.407 6.598 50 1 KKGF CC(=O)O[C@]1([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587685422 QNTWNACIUDDQSA-IURAIUDVSA-N 667.487 7.979 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 587846738 REMSRLHHTLCBEB-RZFZLAGVSA-N 546.849 5.577 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@@]23c2cccc(F)c2CCN3[C@H]2CCSC2)N1 962710402 PSLPTXOAZSILQC-PKSNBKSCSA-N 517.689 6.782 50 1 KKGF COc1ccc([C@@]2([C@H](C)Br)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1Cl 963061583 FEENALAFIXVBHQ-BSUXEPHWSA-N 607.929 5.854 50 1 KKGF CC#C[C@]1([C@H](C)O[Si](C)(C)C(C)(C)C)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963105075 UYYIXPVBOWSFMX-XQLHXAQRSA-N 615.890 8.619 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 963198478 VPNHSOBDDOIUDM-ZEQRLZLVSA-N 553.344 7.486 50 1 KKGF CC(C)(CBr)[C@@H]1c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963240575 QUKRWTADRKFCRQ-NVQXNPDNSA-N 640.443 5.931 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@@]2(c3ccc(OC)cc3)c3cccc(Br)c3CCN2C)cc1 963279266 FOQBYVKFCOHKCU-CLJLJLNGSA-N 559.298 5.844 50 1 KKGF CCCCC[C@H](C)C[C@@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356299885 IINNUXIDJDEGFG-RRFOLVDASA-N 900.264 11.402 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@@H](O)SSCNc2cc(ccn2)C1 2356316039 YFRPANFFQCYOOR-CFMHTIPQSA-N 592.783 6.444 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](C4)C[C@H]1CC[C@@H](SSCC[C@@H]1C)[C@@H]3[C@@H](O)[C@@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2 2356357059 OMKAVNALZQESRL-ZWSGBCMGSA-N 708.939 8.720 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356362793 HOBVUZFRWOWIKQ-WTKOAMAHSA-N 873.185 5.058 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356377766 LFAITZBWSDYGTD-GVPVRVCUSA-N 857.186 5.883 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2CSS[C@@H]6O)C1=O)[C@@]54C 2356584963 YKPHVUHOMZUJFF-WNTPLCDTSA-N 890.218 6.873 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356671389 XTYNQBOCOYPOLQ-HTMPBJFMSA-N 801.044 5.834 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356714856 LQCLWOLRPPMCQL-VFCCICCVSA-N 813.133 6.480 50 1 KKGF CNCC[C@]12O[C@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4N=CC=C4C3)[nH]c(=N)c1CSS[C@H]1C=C[C@@]3(Cc4c(cc5oc(C)cc(=O)c5c4O)O[C@@]3(C)C1)OC2=O 2356805895 AEFOTWQYZYEARG-LXLMEIQDSA-N 848.020 5.506 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H](C2(c3ccccc3)CCCCC2)SSC1 2356817666 DMIVCGWIPGDEJO-NLPVGWCVSA-N 646.919 7.655 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCCCC3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145555 MMUDVQAASAQWRJ-WCQOUHCLSA-N 558.807 7.218 50 1 KKGF O=C(/C=C/CCCCCCCCCCBr)C[C@@H](O)CCCCCCCCCCBr 43523974 IJUVRYLJNJSEAF-UGOOHZPOSA-N 538.449 8.674 50 1 KKGF CC[N+](CC)(CC)CCOc1cc(OCC[N+](CC)(CC)CC)c(C(=O)NCCCCCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc1OCC[N+](CC)(CC)CC 95540060 WJFJEDDYGFJHOF-UHFFFAOYSA-P 863.266 8.313 50 1 KKGF COC(=O)N[C@@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3ccc(-c4c[nH]c([C@@H]5CCCN5C(=O)N(NC(=O)OC)c5ccccc5)n4)cc3)ccc2[nH]1)c1ccccc1 95627789 VKLUMCJFWMMXKH-AGSXMJPOSA-N 781.874 7.415 50 1 KKGF COc1c(C)c(CCCCCCCCCCSSCCCCCCCCCCc2oc(=O)c(OC)c(OC)c2C)oc(=O)c1OC 96085908 URLHPPRLAKCXAF-UHFFFAOYSA-N 682.986 9.652 50 1 KKGF in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)cc1 150340538 QKHVXANOABYUHL-VKTZZKDBSA-N 879.594 8.436 50 1 KKGF CNCC[C@H](C/C=C/c1ccccc1)[C@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 150344282 WFUCCSHGKVJTRQ-OMYSANRTSA-O 843.013 5.507 50 1 KKGF biogenic,in-vitro COc1cc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc(OC)c1OC 150589875 QCGPPOVPSUTVKQ-VHFKIGOXSA-N 820.955 9.511 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 253918600 WLFYCMTVIXROHE-LGODWQMASA-N 575.230 7.681 50 1 KKGF C=C(C[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 299812241 KOUAFSJVPQQUPD-VPOLXURISA-N 588.782 6.824 50 1 KKGF CC(=O)O[C@H](C/C=C(/C)[C@@H](Cl)C(Br)Br)[C@](C)(Br)CCl 299847347 DTCZNJROCVEBBU-SEFYCBFJSA-N 503.884 5.370 50 1 KKGF CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C\c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c1 587050196 VZWSROAWPAYLQW-HJWRWDBZSA-N 508.900 7.264 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587325116 CDMFWSGVLFLBKA-NSJVFKKDSA-N 526.007 7.666 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587671943 VZNDZPYEVWTYBC-KHWNGSORSA-N 573.344 7.246 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(OC(F)F)cc1 587720336 SJTFRZUFLBEZCM-YEBMWUKDSA-N 527.812 6.614 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587841795 CORUUHOCOMEWIE-CHNSCGDPSA-N 517.848 5.110 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)n2)cc1OC 587856809 YIRRDMDDFPUEHV-JQEJTAMCSA-N 550.881 6.005 50 1 KKGF CCn1c(C(=O)NCCBr)ccc1C(CC)(CC)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 653791402 SDTHXLKLZPRGNH-XMMPIXPASA-N 521.540 5.833 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](c2ccc(Cl)cc2)(c2oc3ccccc3c2CBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 962476107 QUIDHSWMYLHHKE-GDYKHXCGSA-N 720.019 8.928 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 962684329 ZYHFGMVMYOVBHG-JYRCXFKTSA-N 608.451 6.465 50 1 KKGF CCN(CC)c1ccc([C@@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962962408 VJRCIGKJEIAWTD-XMMPIXPASA-N 511.426 5.842 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@@]31CCCC2=C1[C@@H](c1ccc(Cl)cc1Cl)C(C#N)=C(N)O2 963055677 KTXGZGHSFWLVRA-FIPFOOKPSA-N 519.432 5.837 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)N(C(=O)c1ccccc1N)CC2 963150634 WHMQUPAXSQDCTI-MGBGTMOVSA-N 609.605 6.924 50 1 KKGF Cc1ccccc1CN1CCC(Nc2nc(Oc3c(C)cc(/C=C/C#N)cc3C)c3sccc3n2)CC1 1772598997 YUZDXZRUOMKNCS-SOFGYWHQSA-N 509.679 7.022 50 1 KKGF COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1NC(=O)C1CSSC1 1857557172 NUBXIXHTTSQOKU-UHFFFAOYSA-N 557.072 6.703 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@@H](SSCCC[C@@H]3O)[C@H]4O)CC[C@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356299831 HQCMZMKTBYFERE-JQPZQSPESA-N 992.316 10.940 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SSCc1cc2cnc1N 2356304602 UGFXGOJISJSBRT-XRWSKCOISA-N 510.681 5.691 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@H](CC=CCCC2CCCCC2)CC[C@@H]1CCN 2356322204 FTTANVCMIDYINC-XFYBWWSESA-N 666.050 9.739 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCCC[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356355757 GYAYCKCNUPDZHZ-BRYRYIBASA-N 864.180 6.483 50 1 KKGF CNCc1ccc([C@H](NC)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)cc1CO 2356376093 OEXPJOVDFPSXRN-XWDCEDKXSA-N 690.928 7.399 50 1 KKGF CN[C@H](O[C@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(CO)c1 2356376742 WKXOHVVXPDMXMK-QQDDVHTNSA-N 663.858 6.650 50 1 KKGF CC[C@@H]1CC[C@]2(c3cc[nH]c3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@@H]2C1 2356614285 OOBVZQOHZBMRFU-YFSDDCBUSA-N 531.740 6.253 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@H]3Cc4ccc(O)c(c4)O[C@H]4C[C@@H]5CCCCNC(=N)N[C@](CSS[C@H]3CC[C@H]12)(C4)C5 2356765085 NLSIGIRJSIRJMS-HOKZSKDPSA-N 819.059 7.198 50 1 KKGF CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 2356791297 GNYKSGURCLGHOD-AUWIKYKLSA-N 571.637 7.018 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSC2(CCCCC2)C2=C(N)NCC=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@]2(C)C(=O)O[C@H]1C3 2356827080 HNCGYBBFPHBQOW-KKLGPAONSA-N 734.941 5.236 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](C1(n3ccnc3)CCCC1)C1=CC2=CN[C@H]1N 2356833693 KISWNKBLKAIDKH-KKJXPWFUSA-N 646.879 6.399 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSS[C@H]2C=CC3=C(NCC=C3[C@@H]1CN1C(=O)C=CC1=O)N2 2356851763 QJOAMJWRJYWOPJ-NUMJQVFMSA-N 711.906 5.886 50 1 KKGF CS(=O)(=O)c1ccc(-c2ccc([C@H](N[C@@H](CC(Cl)Cl)C(=O)N[C@H](C#N)Cc3ccccc3)C(F)(F)F)cc2)cc1 43205770 UULSCOLFHVNVPK-GVUKDKGQSA-N 612.501 5.764 50 1 KKGF CC[P+](Cc1ccc(C(=O)c2ccc(C[P+](CC)(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1 49762818 ZMRCWLOTBUBTTC-UHFFFAOYSA-N 636.756 9.295 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O 49863666 OFFSTXXHFZWHDZ-OQYDAFCHSA-N 717.951 7.690 50 1 KKGF COc1ccc(-c2coc3cc(OC4CCCCCC4)ccc3c2=O)cc1N(CCCl)CCCl 84655229 NTPNBWBDTQPQRJ-UHFFFAOYSA-N 504.454 6.854 50 1 KKGF CC1=CC=CC(C)(C)[C@H]1CC/C(C=O)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C 86052720 FXJMSBSQWHKYLZ-CKTNFUTISA-N 566.870 10.612 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2ccc(NC(C)=O)cc2)cc1)C(C)(C)C 95536827 VRQNZVYVUWVUJZ-BDAFMJFTSA-N 749.909 5.054 50 1 KKGF CCCCCCCCCCCOc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)OCCCl)cc1 95548633 CUUAXCVWEUZFNQ-SVWSIEHRSA-N 844.446 7.291 50 1 KKGF O=C(COc1ccc(OCC(=O)NNC2=N[C@H](c3cc(F)c(Cl)cc3Cl)CS2)c(Cl)c1)NNC1=N[C@H](c2cc(F)c(Cl)cc2Cl)CS1 95551293 WDEMIGLEHMFABR-GOTSBHOMSA-N 784.909 6.919 50 1 KKGF C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@@]67C[C@]5(CC[C@]34C)OO7)O2)OC1=O 95914587 KYSAZQMUXWZIQI-QDHGOWRDSA-N 514.659 5.264 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3ccc(-c4ccc(C#CCCO[C@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@]86OO7)cc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309829 VWWQPXXNIDRWSM-PTCCMPMBSA-N 823.036 9.286 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O2)[C@H](OC(=O)CCC1=C(C)C(=O)OC1=O)C(C)C 255194900 AMFQLUYJIGWDCU-PLMGQXQZSA-N 750.967 5.815 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 473168031 JELGNRRTAKJZPY-MAAQOWKMSA-N 503.609 8.606 50 1 KKGF Cc1oncc1C(=O)Nc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587244925 PLDPVEDTVXLGIK-UHFFFAOYSA-N 537.308 7.122 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc3c(c2)cc(O)n3C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322579 NIXNMJAVQKHPJK-DKIGARLYSA-N 510.359 5.766 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 587329175 XLCIKVPCRDYTFU-IAPPQJPRSA-N 544.837 7.739 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H](Br)[C@H](Br)c1ccccc1)O2 587371498 FBUOHWVTDHBOFS-JRFVFWCSSA-N 515.245 6.338 50 1 KKGF Cc1c(C(=O)N/N=C/c2ccc(O)cc2O)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1 653740617 FEZPXDRCTHTPBI-KVSWJAHQSA-N 515.784 5.983 50 1 KKGF Cc1c(F)ccc2c1[C@]1(CC[C@H](O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C[C@H]1F)NCC2 962304016 YWATXOXBSJNPIC-JPXCPFJNSA-N 505.725 5.942 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@H](c2cc(F)cc(S(F)(F)(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962476072 QDYZYVNUPYFTNG-IAPPQJPRSA-N 620.571 8.228 50 1 KKGF C[C@]1([C@@]2(O)[C@H](Br)C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962761951 IKBNORFGFGIHHH-MHDQKYNHSA-N 608.539 6.184 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CCl)c1cc(C)n([C@@H]2CCS(=O)(=O)C2)c1C 962991484 IXFYPZYGHFKAOK-XJFCNFDWSA-N 633.594 5.275 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356301717 XLPURHFSQODTOD-UHGQEVTDSA-N 957.361 9.656 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@@](CNC)(C[C@H]2C[C@H](O)OC)O3)C12CCCC2 2356357988 WHVXIKJOUVILHP-RUNMRIRBSA-N 945.302 9.180 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@@H](O)[C@H]64)[C@@]12O 2356359631 PBKGCUFSKABYCW-LSVVRRQQSA-N 913.388 11.237 50 1 KKGF COC(=O)CCCCCCCC[C@@H](I)CCCCCCOC(=O)CCCCCCCCC(=O)CCCCCCI 2356420913 RKJFYZUCJCOBRK-SSEXGKCCSA-N 790.646 10.653 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C6CC[C@@H]7CCCC[C@@H]7[C@@H]6C[C@@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356421967 AOBNCXOAARGXAU-CBKFWUCDSA-N 979.278 9.004 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356563224 SRWDJHBXGAJNAG-WVXSTQOFSA-N 899.277 9.440 50 1 KKGF COC(C)(C)CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)C=CC=C(C)CCCC(C)(C)OC 2356706668 PNTYNLHQUBJAGK-UHFFFAOYSA-N 614.955 11.815 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@@H](C)CCSS2)c(O)c(OC)c1O 2356721692 MDJUKVWHUGUICN-RGRJDERXSA-N 712.883 6.200 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@@]3(CNC)CC[C@@H](CCOCCCO)C3)c2)N1 2356742032 MKULTUILHHYMCV-RZMSGPFFSA-N 771.059 6.460 50 1 KKGF CC[C@@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356743864 IEJKMUZABMNWPG-ZJFCETBCSA-N 528.059 9.048 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@@](O)(C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356824221 GTPCODLPCNLXEB-KLYQWERJSA-N 899.186 10.897 50 1 KKGF CCCCNC(=O)OCCN=C1c2ccccc2[C@H](Br)[C@@H](Br)c2ccccc21 1643739 BQJOURWTNCHPKQ-PMACEKPBSA-N 508.254 5.936 50 1 KKGF O=C1[C@H](Cl)[C@@]2(CC(/C=C/c3cccs3)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009719 AWPPQDWOZLAEGU-DSQTUEOOSA-N 557.078 5.235 50 1 KKGF COC(=O)[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)C(=O)OC2=O 43411416 ISCPLVINJOTRGY-ULWIUXKJSA-N 556.740 6.182 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN(C)Cc2ccccc2)C(C[S@@](=O)c2ccccc2)=N1 43799617 JGHSDLIRFHJJFX-JEXVWAHISA-N 593.671 6.767 50 1 KKGF O=C(NN1C(=O)[C@H](Cl)[C@H]1c1ccc(Cl)cc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1 51092447 PPQQKFLWAGERRF-WOJBJXKFSA-N 589.093 7.333 50 1 KKGF COc1cc([C@@H]2c3cc4c(cc3[C@@H](Nc3ccc(C(=O)c5ccc(N(CCCl)CCCl)cc5)cc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC 72121199 IOLQHIDLLXLVKN-BWWRQWQASA-N 733.645 7.044 50 1 KKGF Cc1c(C(=O)NNCc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)sc(C(=O)NNCc2nc3ccccc3n2Cc2ccc(Cl)c(Cl)c2)c1C 95558576 IUKVNBBIHYSNGG-UHFFFAOYSA-N 806.607 8.644 50 1 KKGF O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1 95612142 WUYLEONPRNFCJU-UHFFFAOYSA-N 770.900 6.172 50 1 KKGF C=Cc1ccc(S(=O)(=O)OC2=C(C(=O)OCC)[C@@H](c3ccccc3)N(C(=O)CCl)[C@@H](c3ccccc3)C2)cc1 100078342 HEXDNQLETKIMAW-VAVYLYDRSA-N 566.075 5.806 50 1 KKGF O=C(c1cccc(Cl)c1)c1cc(Cl)ccc1OCc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2cccc(Br)c2)o1 103185685 WBQDMLSBXHIHGG-FGZHOGPDSA-N 607.675 6.644 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]34 150345868 PITMLTOLQYTZKC-FWFOGGRESA-N 913.172 5.959 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(COC(=O)CCC(=O)O)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169366071 MRMWPXILPFNNHC-DAHIUDNUSA-N 706.870 6.292 50 1 KKGF C[C@]1(c2ccc(NC(=O)CI)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339014 QYDWIDCCEJITAZ-LADGPHEKSA-N 531.321 5.179 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)cc(C(F)(F)F)cc1Cl 587542687 AVSRVXFQCKQYGC-NQIIRXRSSA-N 548.138 6.970 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587688685 NDCKMSAGFKBAAN-BUNUKWNGSA-N 532.837 5.874 50 1 KKGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)/C=C/c1ccccc1Cl)[C@@H](C)[C@H](OC(=O)/C=C/c1ccccc1Cl)O[C@@H]4O3 653771383 JXPOYYPIUHRWCG-KLEBSKBFSA-N 629.533 6.993 50 1 KKGF CCCc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccc(Oc3ccccc3)cc2)cc1 653786548 RPRVQTANRMORMI-UHFFFAOYSA-N 502.592 6.648 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2C12[C@H](Br)CCCCCCCCC[C@H]2Br 961781384 JSBYBILZPXGPIR-QUAHOIDUSA-N 691.505 5.625 50 1 KKGF COc1ccc(C(=O)[C@@H](Cl)[C@]2(c3ccc(OC)cc3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962409863 XIMIEXMXZMEYOA-YPQQXIHJSA-N 689.164 7.093 50 1 KKGF Cc1cc(C)c2cc(/C=C(\C#N)[C@]3(C(C)(C)C)N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c(=O)oc2c1 962729845 KAMJPCWGXYIFTF-HJLLYHGJSA-N 508.540 5.904 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCl)(c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C(=O)c1ccc(Cl)cc1 963029311 UNLSVMDPVXJUOA-GVYVVWIYSA-N 628.943 8.257 50 1 KKGF Cc1ccc(N2C=C[C@]3(C(C(=O)NN)=N2)c2cc(F)c(F)cc2C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963035950 HTQHIYKGNGTBEV-RRTCDKLQSA-N 649.654 5.109 50 1 KKGF C=CCS/C(NC)=C(\C#N)[C@@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963133355 BHPGTIZEGUOXMU-XHNMGUHQSA-N 708.888 7.053 50 1 KKGF O=C1c2ccccc2[C@]2(c3cc(CBr)ccc31)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963243130 ZXBSTATXABNDLE-GSSDHLSPSA-N 776.552 7.200 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc(ccn1)C1(CCCC1)C[C@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356291755 DIILEFFIEXEBIV-YCEURHPWSA-N 915.140 6.240 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)c1 2356292316 OIZPIXIXKOCEQK-OWJGALHYSA-N 948.217 8.036 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356292321 OJBIPPOMVGNUFL-RTPFIFLOSA-N 929.307 9.077 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](O)C7CCCCC7)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356300490 MUIWYRWCAIBLJM-CQSUPIJASA-N 949.293 10.179 50 1 KKGF CCCCC[C@@H]1CC[C@]2(CC[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OCO)c3)[C@H](O)C[C@H](OCO)CC4)C2)C1 2356356932 OSEVPXPRIUAFDL-DWXJJZIISA-N 795.070 6.790 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356362629 GSODGMODDQYBSA-XYGASLDVSA-N 757.069 5.972 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(CO)C[C@H]3CNC(=N)N[C@H](C)O 2356362858 FPPDCRNEQBFPSV-FIRXCFRESA-N 967.397 5.827 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356365126 FXXXFEUNMISNMR-RLRLXTDQSA-N 899.267 6.909 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c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c1ccccc1 2356561371 AHYUEYJOUFLGQN-UFKGBUJVSA-N 611.918 5.740 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356620222 KIBJUROKXFXBRB-XMZYOZBESA-N 883.224 6.843 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@@H]2O)cc(OC2CCCCC2)c1O 2356743306 RLVYDZYETBXAAK-VJEVYWLHSA-N 738.965 7.809 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C2=CCNC(=C2)NCSSC[C@@]23C(=O)c4c(cccc4C(=O)[C@@H]2C=C(Cc2cccc(CO)c2)C=C3O)O[C@H]2O[C@@]3(CO)CC[C@@H]1[C@@](O)([C@H]2O)[C@H]3O 2356815968 CXEZPBDYIIMGEH-UFIVRZLWSA-N 953.189 5.753 50 1 KKGF CNC[C@@H]1CC[C@@]23O[C@@H]2CCC2=C[C@@H](NC(N)=C2)C2=C[C@H](Cn4cc5cc[nH]c5c4)NC(N)=C2CSSCC[C@@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@H](C1)[C@H]2OC3=O 2356836411 LAMQAOIHQNKEBM-FRJMMOPFSA-N 868.095 5.426 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CC[C@]7(CCCC78CCCC8)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4CO)c1 2356872536 YZXBMXWESHULLH-YYYZRWEPSA-N 834.198 8.886 50 1 KKGF O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)Nc2ccccc2)[nH]c2ccccc12)Nc1ccccc1 14944312 MGXQRBDSSCCBIV-UHFFFAOYSA-N 590.774 8.591 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cccc([N+](=O)[O-])c43)[nH]c2c(OC)c1OC 49746369 SFMOEMIBTAXTMX-ZDUSSCGKSA-N 540.916 5.146 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 58498923 UOBXMKGPAJQOOZ-KPGMTVGESA-N 636.731 6.995 50 1 KKGF Cc1cc(OCc2c(-c3c(Cl)c[n+]([O-])cc3Cl)noc2[C@@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622149 YQQXIRGBZGCVPG-OAHLLOKOSA-N 586.859 7.326 50 1 KKGF C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CSSCC/C(C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)=C3\CC[C@@](C)(O)[C@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C 85567098 XZZFPLVDTAYNMS-DACRMJRQSA-N 753.040 6.634 50 1 KKGF biogenic,in-vitro CCCOc1c(C(=O)N/N=C(\c2ccccc2)c2ccc(Br)s2)sc(C(=O)N/N=C(\c2ccccc2)c2ccc(Br)s2)c1OCCC 95536855 WGEGFAAYELGHNL-RIGUPBQNSA-N 814.647 9.339 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC2=O)[C@@H]2C#CC[C@@H]3CC[C@@]4(CCC[C@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 150348636 HWIKXIWVLZCKPQ-BWNJPFEBSA-N 939.302 8.460 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@H]3CCC[C@H]3O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)NC4(CCCC4)SSCCCCC[C@H](CC1)[C@H](O)C2)CC3=O 150348681 VIDPGJPDNJGQAX-NRNQBGBPSA-N 877.231 7.740 50 1 KKGF biogenic,in-vitro CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(C4(NC)CCCC4)c2)[C@@H](O)C[C@H]1CSSC3 150349729 ZUHRHFIAGOZCSU-YVKKSPEMSA-N 1024.380 11.337 50 1 KKGF biogenic,in-vitro O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O 169336401 ACUFDVOLVXEBHR-WVRPNNPXSA-N 764.928 9.279 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@](C)(O)c4cccnc4)[C@@H]3CC[C@@H]2C1 169851881 CPFRYINYUBIIDM-RYRKNKRZSA-N 511.867 8.338 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@](O)(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(C(=O)O)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 253695364 ZICISAPTXRLDEV-DTNJOPGYSA-N 790.969 6.171 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/C(C)C)c2)n1 299863347 LAEFICOEEJJZEC-XSFVSMFZSA-N 562.074 5.471 50 1 KKGF C[C@H](O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O[C@@H]5O[C@H](c6nc7ccc(S(F)(F)(F)(F)F)cc7[nH]6)[C@H](O)[C@@H](O)[C@@H]5O)CC[C@]4(C)[C@@H]3CC[C@]12C 586914632 XBJAIYYSJBBENU-MFIIYIIFSA-N 694.804 7.125 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 587324368 YDAQOWRXUVOPIT-FREGXXQWSA-N 572.386 5.981 50 1 KKGF O=C(Nc1ccccc1)[C@H](Cl)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587324536 RAFRGMDBCCVVCY-MDZVADFISA-N 501.941 6.032 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587539413 WINOPAVKEADISD-TVZXLZGTSA-N 510.384 5.627 50 1 KKGF COc1c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] 587539689 XLUVESVWWYMTPY-WZONZLPQSA-N 534.746 5.523 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CBr)N1 587672772 HOHXVUIUZIYREJ-YEBMWUKDSA-N 611.693 6.309 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 587674573 XPWAIQORFKXPAY-CFMSYZGJSA-N 549.065 6.723 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 587674590 XWKQFQYLUDWVOS-RKNYENMMSA-N 601.141 7.055 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1OC 587688199 JQVYEAIVFAXSNV-OQRWROFFSA-N 549.912 6.283 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 587736948 CNAQZANWNUSGKD-LHEBDHONSA-N 729.340 6.443 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)N[C@@H](C)Cc4ccc(F)c(Br)c43)sc2n1 587854129 BNJGTZHSGAAPSR-YTEVENLXSA-N 510.860 5.790 50 1 KKGF FC(F)(F)c1cccc(-n2cc([C@]3(CCl)c4ccccc4C[C@@H]4CN(c5ccccc5)CCN43)nn2)c1 962635185 MTXFWWVZNFCFKX-SQHAQQRYSA-N 523.990 5.515 50 1 KKGF CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(CC(C)(C)C[C@@]23c2ccccc2C[C@]2(C4CCC4)C(=O)NC(=O)N23)N1 962647131 USTZAGYLFVMKTM-VEYDHLCMSA-N 562.670 5.516 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccc3c(c1)NC(=O)[C@H](C)O3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677860 MWDKZNCOQVPYNK-OLRZCDJHSA-N 619.434 5.779 50 1 KKGF C[C@]1(c2cccc(N3Cc4ccccc4C3=NC(=O)CCl)c2)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962722278 YKLWSXDNUPEYRJ-FMZWIXTRSA-N 788.295 7.599 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)C12C=CC(C)(C(Cl)Cl)C=C2 963071117 WHCHKZCZTMGJIT-UFINEARASA-N 521.441 5.297 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c2C)cc1OC 963200067 XNSWOVMQJQFVAZ-KDYSTLNUSA-N 585.450 6.118 50 1 KKGF O=C(CCc1ccc(O)c(O)c1)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857548269 FLUKUPMAUICSAY-UHFFFAOYSA-O 582.745 7.262 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCc1ccccc1 1857586483 DZNQJNXQMWOTEH-HWQGODJASA-N 693.961 10.060 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)Oc3ccc(Nc4ncnc5ccccc45)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 1911585012 FDEOQFAXGLFLPJ-KRNHULRNSA-N 603.672 5.810 50 1 KKGF CC1(C[C@H]2CC[C@@]34CC[C@@]2(C=CC(=O)CCc2ccc(O)c(c2)OCCc2ccc(O)c(c2)[C@@H]2CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc52)CSSC3)C4)CCCC1 2356291673 AAAMHDKNMUIHKQ-DAKKCREDSA-N 884.221 10.766 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@]([C@@H]4C=C[C@@H]5CCC[C@]5(C[C@H](O)CO)C4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356301814 YPJNVFUAPXFXJI-SXPVXQTPSA-N 958.256 8.092 50 1 KKGF CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2 2356321276 CKGGHMQKVKSOSM-VZYIQLFDSA-N 820.090 8.176 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCC1(O)CCCCC1)CC(=O)CC2 2356508945 VMLRIUPBSSBSJC-PGXXUBQYSA-N 987.335 10.125 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@H](OCO)CC3)C[C@H]1CCC(C)C 2356650692 NTTKUJPMMABMKK-MDUGJRNASA-N 782.075 5.991 50 1 KKGF CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)NC(=NC)NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](CC[C@@H](CC)CC=O)C32CCCC2)C1 2356741176 RHRLCZYVSPXXLV-POXAHZGQSA-N 979.404 10.867 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)CCCC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356744977 UAMJDBHGEBLGGF-LXTQFFRSSA-N 579.773 10.898 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C([C@H](O)CCC=C(C)CCC=C(C)CCC=C(C)C)=C4C)C(C=O)=C3CCC(=O)O)C(CCC(=O)O)=C1C 2356832938 IDWCYPUEPXWJPA-YACUFSJGSA-N 797.009 10.275 50 1 KKGF C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)c2)cc1)[C@@H]1COC2(CCCCC2)OO1 42876108 JMCXAUIMHKVSCX-KYJUHHDHSA-N 534.649 7.520 50 1 KKGF CCCCCC[C@@H]1CC[C@@H]2CC3=C4CCC[C@]5(CCNC(N)=N5)CSSCC[C@]2(C)[C@]31CC4=O 85549561 QZWIJRVIJMNVEB-UFXKEVRYSA-N 503.822 6.651 50 1 KKGF biogenic,in-vitro O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc2ccccc12)SS/C(=N/c1cccc2ccccc12)OCCN1C(=O)c2ccccc2C1=O 95614975 RCJKLOUZPOGYGU-CHQNLTHESA-N 750.858 8.675 50 1 KKGF CC(C)COc1ccc2c(=O)cc([C@@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 101992839 LXWSSRSKGLKSCQ-WIDSHULWSA-N 535.431 5.449 50 1 KKGF CC(C)(C)N(C(=O)c1ccccc1)N(SSN(C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccccc1)C(C)(C)C)C(=O)c1ccc(Cl)cc1 150573677 PAZVFIROSKFALL-UHFFFAOYSA-N 723.748 9.501 50 1 KKGF C[C@]1(C(=O)OC(=O)[C@@]2(C)CCC[C@@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 169296927 CXSWMXMKWWOTPK-DGAXGRBDSA-N 530.705 6.888 50 1 KKGF C[C@H]1CC(=O)N(c2ccccc2C(=O)OC[C@@H]2C[C@H](CCCCCO[Si](C)(C)C(C)(C)C)CN(CCCc3ccccc3)C2)C1=O 195273987 CKNXXBNBTNALCM-RUHGTMQNSA-N 648.961 7.896 50 1 KKGF 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](OC(=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C 299808420 KIELDCCFMKNOOM-SMCJCMRUSA-N 968.182 6.765 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C(C)(C)C)CC1)OO2 299821190 ZSWHWOUNGHFRGZ-BVHUUHQYSA-N 690.915 7.857 50 1 KKGF CC(C)(C)n1c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)sc2c2sc(-c3ccc(/C=C(\C#N)C(N)=O)s3)cc21 299828178 SQSBEJKTSMJWRT-LKUDQCMESA-N 654.886 10.930 50 1 KKGF COCCOc1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 587264734 IVWLHLRNHFOIDS-UHFFFAOYSA-N 518.258 6.583 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c[nH]c12 587322820 IBBJQZIATLWUPW-DPFTZIENSA-N 526.007 7.810 50 1 KKGF CCCc1c(O)ccc2c1O[C@H](c1ccccc1P(c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)CC2=O 587490202 WLWCRVGSXKMWBU-FAIXQHPJSA-N 751.001 11.017 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc([N+](=O)[O-])c1 587545553 RNEZWNVNGSKYCH-SHQCIBLASA-N 504.926 5.804 50 1 KKGF CC(C)(C)[C@]1(/C(C#N)=C\Nc2nc(-c3ccccc3)cs2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962636842 JXTPSLJCBQJAAK-CLWDDHCWSA-N 537.689 6.218 50 1 KKGF COc1cc2c(cc1OC)[C@@]([C@@H]1CCOC1)([C@@H](C)Br)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679750 SLZCHZNXFBNUOT-JLCUDIMXSA-N 542.392 5.436 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccccc2Cl)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948286 RUUBLHGBTCQUJZ-MJXFJGRWSA-N 693.129 6.116 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCOC(=O)c4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@H]21 1772589455 PKBVQJGGOKDWNJ-PMERELPUSA-N 591.539 5.929 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356320057 CMPNVOCLBOVJAU-BCAPOCDJSA-N 814.039 7.223 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356353900 UIUXABQNJWNJRT-LHFFJLLYSA-N 827.204 7.920 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@]5(O)C2(CCCC2)[C@H](NC(=N)N)CSSC3)O1 2356414940 VYSZNBZEIAAATA-DGRAIXAPSA-N 734.941 6.186 50 1 KKGF CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@@H](OC(=O)C(Br)Br)C[C@@H]1CC3 2356549309 YERYMYTVRYIPQM-HESBLWTQSA-N 598.504 9.510 50 1 KKGF CN[C@H](O[C@@H]1CC[C@@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 2356666780 PCTCERRTFMFNGU-VOJNLPHMSA-N 734.937 6.651 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4CC5=C[C@@H]6C7(CCCC7)CC[C@@]6(C[C@@]6(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]6O)c3ccnc(c35)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356734462 QBULKGWWWRHSPY-MDPUPXLDSA-N 879.066 5.961 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@@H]2C=CC[C@@H]3O 2356746062 RFZZIDPOIBIRPO-ZLSFYDAISA-N 970.356 6.622 50 1 KKGF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2n1 26576678 NFDNOGJHVSTSMJ-XXYPBYQKSA-N 730.806 5.723 50 1 KKGF COc1ccc(CNNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1 28459452 OQUYNGZTVVIYCC-UHFFFAOYSA-N 723.779 6.152 50 1 KKGF C=CCOC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145626 PTWUEXSNDZIQQV-GIPLDNSPSA-N 531.737 6.935 50 1 KKGF CCNC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 72186709 LFYVETSPEPPKAU-QQJLFXRWSA-N 661.877 6.794 50 1 KKGF CNCC[C@@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(C[N+]3=CC4=CC=NC4=C3)nc(N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@H]1OC2=O 85593839 DFPOCLDDVJMSFK-COLFMVIOSA-O 822.990 5.148 50 1 KKGF biogenic,in-vitro COC(=O)CC[C@H](O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(Br)cc1 100783872 SFXFJEZXIQVKPD-HLZVGTAASA-N 539.463 5.668 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1Cl 103951252 SXBZJMNOIXAHOA-GOSISDBHSA-N 540.813 5.579 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@@H]3CC[C@@H](C[C@H](c6cc(O)ccc6-4)[C@@H]5CO)[C@@H]4CCC[C@@H](C4)SS3)[C@H]2O)c1O 150342867 BZHSFORLXUKRHU-XPSOJPLKSA-N 795.029 8.149 50 1 KKGF biogenic,in-vitro CC[C@@H](CC=O)CC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C12CCCC2 150347320 IRUIVDQEMNTHHS-SUXDIBGPSA-N 909.269 8.916 50 1 KKGF biogenic,in-vitro Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5cc(NC(=O)c6ccc(N(CCCl)CCCl)cc6)ccc5[nH]4)cn3C)cn2C)cc1C(=O)NCCC(=N)N 150544536 RLHGRWTYHJYFHW-UHFFFAOYSA-N 855.788 5.532 50 1 KKGF CCCn1c(-c2ccc(Cl)cc2Cl)nc2cc(C(=O)N/N=C/c3cccc(Br)c3)ccc21 299860822 HFVQXJLLXMQWGM-CCVNUDIWSA-N 530.253 6.947 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190166 IZFKEINSHGYZPZ-YEXLVFSCSA-N 675.108 8.011 50 1 KKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(NC(=O)c4sc5ccccc5c4Cl)c1C)[C@@H](C2)C3=O 587454490 XDYZEGLSJLKEAF-UZTOHYMASA-N 541.456 6.247 50 1 KKGF CC(=O)O[C@]1([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587497953 LPWGSCAZVQYTRL-ABRSSTOMSA-N 625.633 7.931 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1NC(=O)c1ccccc1 587546209 UYASOTUNDVJHBR-YWEHKCAJSA-N 502.954 5.290 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(CBr)ccc12 587673542 OCAHFQCHCNEMKN-RKNYENMMSA-N 515.220 5.854 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccc(Br)cc2)(c2ccc(CNC(=O)CCl)o2)N1 587676468 DSUHRAZGEBCATO-ZAMGYDSWSA-N 570.684 5.625 50 1 KKGF COc1cc(/C=C(\C#N)[C@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O 587738405 ODNLXWFTWJWSGX-PJRUTSHWSA-N 651.270 5.703 50 1 KKGF COc1ccc(Cl)cc1C#Cc1cc2c(-c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3oc-2c(Br)c1=O 587919193 UQQFCTOXRLARBH-UHFFFAOYSA-N 790.667 9.052 50 1 KKGF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)N/N=c2\scc(-c3ccc(F)cc3)n2-c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 1772633169 HDCITJQKOMHRBM-KHFLCHBSSA-N 644.685 5.179 50 1 KKGF CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)NCCCCCCN=C=S)cc3)nc2n1C1CCCC1 1857582850 JIJYNAQQRKYYRS-UHFFFAOYSA-N 533.702 5.385 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2cc([N+](=O)[O-])ccc2O)nn1 1857630369 AYNKMHYSDIGBOM-ZYGMTOJLSA-N 550.656 5.688 50 1 KKGF Cc1ccc([C@@H]2SCC(=O)N2c2ccc(OCC(=O)N/N=C3\C(=O)N(CN4CCCCC4)c4ccccc43)c3ncccc23)cc1 1911581626 PUWDMWFVDUJTKX-YLXDWAAJSA-N 634.762 5.011 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@@H]3SSC[C@](C)(O)CNCOc4c(OCO)ccc(c43)C2)c1 2356292315 OIZPIXIXKOCEQK-BTYDUTKXSA-N 948.217 8.036 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356294360 TWUMIZGGIVWYSZ-TUJOLIIHSA-N 851.193 7.390 50 1 KKGF CN[C@H]1[C@@H](O)[C@H]2C=C[C@H]1SSC[C@@](C)(O)CC[C@@H]([C@H](C[C@H](OC(=O)[C@]13CCCC[C@@H]1CCC(=O)N3)C1(Cc3ccc(O)c4c3CCCO4)CCNCC1)OC(C)=O)C2 2356359497 MAPCJYKUWIMPOT-BXPMXJHLSA-N 844.150 5.138 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3CCC[C@@H](CC[C@H]4Cc5c(c(OC)cc6c5[C@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 2356366517 KUXUQRRZGJUVTH-BHUQZZGGSA-N 672.865 7.671 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@@H]2O)c1O 2356372735 LJLQIFPLZYHBDV-GWVHWHNXSA-N 766.975 7.536 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@@H](CCC3(O)CCCCC3)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356417210 UOMOKZRODUDDTI-GRSMESAWSA-N 971.292 9.686 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356604071 RGUMEEDKDBZLDJ-UCIBFJNASA-N 885.240 6.867 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C6=C7CCCC8(CCCC8)[C@@H]7C7=C8[C@H](CCC7)C[C@H]5[C@H](O)[C@H]86)[C@]4(O)C3=CC(=O)[C@H]12 2356694917 MUYMDMCGAMNAON-JUYJEMOVSA-N 886.322 8.876 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@]4(C=O)OCSSC[C@H](c5cc[nH]c5)[C@H]([C@H]5CC#CCCCc6ccccc6C=CC5)CNC[C@]34O)ccc2c(=O)c1-c1ccc(O)cc1 2356819886 FGAWZSLQHORRCI-IVSIWEJISA-N 936.074 5.619 50 1 KKGF NC(=O)[C@@H]1Oc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@@]34O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1 2356824091 GRWRLLPNZUSQIP-YMRJGJEMSA-N 933.094 5.410 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@H]2[C@@H](OCCO)CCCC1 2356873716 YIACRWMLMIQPLV-PEIWPIIDSA-N 794.093 5.399 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)c4nc6ccccc6[nH]4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 95616206 PUEWNJHMRLQANI-RDQGTPCUSA-N 762.995 9.636 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(C(=O)O)c1)C(=O)Nc1ccc(C)cc1-2 101408149 RHEZKUOKUQRFOV-LDJRNAMNSA-N 551.263 6.568 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 118933965 UVSRXUYQBDAGKD-NSXGOKPNSA-N 555.951 6.584 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169366180 ZICISAPTXRLDEV-XNSPMKEVSA-N 790.969 6.171 50 1 KKGF COC(=O)COC(=O)[C@]12CC[C@@H]([C@](C)(Br)CBr)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@@H](Br)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299810467 YMRHYZZIAWGDEK-UYTVFHCTSA-N 765.462 8.275 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1ccc(OCc2ccccc2)cc1)=N/O)/C(Cc1ccc(OCc2ccccc2)cc1)=N\O 299857246 DZHPOCYZUVJOLS-WXKOKIAESA-N 686.856 5.904 50 1 KKGF O=C1c2ccc(O)cc2OC2([C@@H](Br)CCCCC[C@@H]2Br)[C@@H]1c1ccc(F)cc1 587321103 IGCCCBMCVDZKFK-SLFFLAALSA-N 512.213 6.120 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 587322529 NAPYHIBWMGLTAQ-MYKRZTLLSA-N 503.367 6.922 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c[nH]c12 587322823 IBBJQZIATLWUPW-MHDHXZMLSA-N 526.007 7.810 50 1 KKGF Cc1c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 587323399 RAPUGGOLIHCQDN-AHWVRZQESA-N 507.359 5.675 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)c(O)c(CBr)c1 587874567 BXFFCSDYUAHBTG-UHFFFAOYSA-N 506.021 5.067 50 1 KKGF CC(C)CCC[C@H](C)CCOc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(OCC[C@@H](C)CCCC(C)C)cc1CBr 587875637 YTIAEDYGOQRBFN-CONSDPRKSA-N 737.691 11.256 50 1 KKGF O=C(CC[C@@]1(CCOC(=O)Oc2cccc3cc(C(=O)Nc4cccc(-c5cn6ccccc6n5)c4)c(=O)oc23)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O 621431246 OZINONHUFBYMNW-NLEFRPORSA-N 859.933 7.002 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCCCCCCl)c1ccc(F)c(Cl)c1 961782575 YOFOADQFQXCZGH-GDLZYMKVSA-N 535.531 8.063 50 1 KKGF CC(=O)Nc1c(C)cc(C)c([C@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1C 963043017 SVEKGIKSEUZBJL-JOCIVYRRSA-N 659.129 7.591 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963191038 SGANTRLELSESBB-YUZMYYDLSA-N 628.563 7.865 50 1 KKGF CC(C)(C)[Si](C)(C)Oc1ccc(O)c([C@H]2c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1Br 963205835 YKSVUNPSBBNBTE-XYFQYJLHSA-N 690.663 8.482 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccccc4Sc4cc(/C=N/NC(=O)c5ccc(F)cc5)ccc43)nn2)cc1 1857541002 LQEHKGQUFKAROO-KVAAJVFYSA-N 559.630 5.904 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3cccc(Cl)c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857617853 CNCNCCFRWPOODA-UPEAXMAZSA-N 616.914 6.056 50 1 KKGF CCCOc1c2c(c(CO)c3c1C(=C1CCC(=O)[C@@H](c4ccc5[nH]ccc5c4)C1)C(C=O)=C(C(=O)OCC)O3)O[C@@H](C(C)(C)O)C2 2356367979 HQUJXVBFAXHZBC-SKCUWOTOSA-N 629.706 5.222 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)C1CCCCC1)C4 2356616514 ZOMPPAORLVCEBS-OTVGVRITSA-N 739.862 5.927 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCCC6)c(=O)oc5cc1O2)[C@H]43 2356649528 PITMLTOLQYTZKC-AHQYEZJPSA-N 913.172 5.789 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5C#C[C@@H](CNC[C@@]6(C5)C[C@@H](CCN6)Oc5cc(c(CO)cc5O)C[C@@H]41)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@H]2C=CC[C@H]3O 2356746060 RFZZIDPOIBIRPO-KZEJUDGRSA-N 970.356 6.622 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c2c1CSSC[C@@H]1CN[C@H](N)c3ccc4c(c31)CC1=CN=C3CN(C=C13)[C@@H](CC#C[C@H]4O)O2 2356809888 ATYDMUDYEUABJF-AFRMBAPJSA-N 714.954 5.690 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](N=NN)[C@H](C)C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC 2356820266 CSHSIRBPBCUSNC-YGNSWTEVSA-N 788.273 9.800 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1Cl 37858487 GCAVMNHOWDAVHA-MEKGRNQZSA-N 695.603 7.501 50 1 KKGF CCCCc1ccc2[nH]c(-c3ccc(C(F)(F)F)cc3)c(/C=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2c1 42878074 BTBGPGRHJYTOIT-WCMJOSRZSA-N 508.500 6.868 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 49863664 OFFSTXXHFZWHDZ-WBLMMQRWSA-N 717.951 7.690 50 1 KKGF COc1ccc2c(c1)c(/C=N\NC(=O)c1c[nH]c3ccc(Br)cc13)cn2Cc1ccc(Cl)cc1 73239907 NRNISXRUMFVENE-FTCYSYDXSA-N 535.829 6.359 50 1 KKGF Cc1cc(S(=O)(=O)Nc2nc(Nc3ccccc3)n[nH]2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)Nc2nnc(Nc3ccccc3)[nH]2)cc1Cl 95551055 AMRIPXJLNCEOOK-UHFFFAOYSA-N 789.778 7.735 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@]1(CC[C@@H](Cc5ccc(N)nc5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@H]3COC(C)=O)C=C[C@H]3N[C@H]4CCC[C@@H](CSS[C@H](Cc5ccccc5)[C@H]3O6)C4)C1)C2 150343175 GTEOLYKODCLBJO-SWTLLTLNSA-N 974.258 10.573 50 1 KKGF biogenic,in-vitro CO[C@H]1/C=C/C=C(\C)C(=O)Nc2cc(O)c(NC(=O)c3ccc(CCl)cc3)c(c2O)/C=C(\C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 169718286 UHSFRLRTFMXNHT-BNMGOPOUSA-N 698.213 5.774 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@H](Cl)C[C@@]2(C)[C@]1(OC(=O)c1ccoc1)C(=O)CCl 253635657 ZMCKAHOCNZBGEK-DZAMSBOKSA-N 539.883 6.116 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299809334 PRMIBYNRLGYONF-BUTXYMKTSA-N 516.927 9.389 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)CC2=O 587455851 GXMCMMIBNPYIOD-SANMLTNESA-N 526.383 6.088 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557741 SREFBRYFUVRUFJ-FONWFZHGSA-N 623.117 5.679 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n2)cc1OC 587614497 SSBUGZITUHDUKV-UAVWWRDJSA-N 549.004 5.779 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587686219 BYDMYJCLEZCXBV-KHWNGSORSA-N 528.893 7.090 50 1 KKGF CCOC(=O)/C(=C(/C)Nc1ccc(OC)cc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587686331 CQUKNFAZPJFSQY-QBCAHQRJSA-N 525.846 5.514 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]12C=C1[C@@](C)(CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]13C)[C@]1(C)CC[C@@]3(C(=O)O)CCC(C)(C)C[C@@H]3[C@@H]21 962046664 SNYLWRBLPMQEHD-HUHKKIQWSA-N 843.078 7.309 50 1 KKGF O=C(O)[C@@H]1Cc2cccc(OC(F)(F)F)c2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 962640491 WJGGZGDCCUHJQO-GTNSWQLSSA-N 534.197 5.120 50 1 KKGF CCOC(=O)N[C@@H](Cc1ccccc1)[C@]1(CBr)c2ccccc2CCN1C(=O)COc1cc(Cl)c(C=O)cc1OCC 962999273 VBVBVRZMCCRPCA-NYDCQLBNSA-N 657.989 5.963 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2ccc(Cl)s2)N1C(=O)c1ccc(Cl)cc1 963011879 OSPIQFLFUVMENG-HOYKHHGWSA-N 519.837 6.170 50 1 KKGF COCCOc1ccc(N2C(=O)N(CC(=O)N/N=C/C=C/c3ccc(C)o3)C(C)(C)[C@@H]2N(O)C(=O)Nc2ccc(Cl)cc2)cc1 1772615284 LNAPBTNJWJQQDB-YXNIHHNDSA-N 639.109 5.352 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccccc4Sc4cc(/C=N/NC(=O)c5ccccc5)ccc43)nn2)cc1 1857599410 UPALJKYHQIPKHI-DPNNOFEESA-N 541.640 5.765 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2ccccc2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857742264 XHPJXMJJKZUELF-MLRXYKPYSA-N 579.778 6.294 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@@H](C)NC(=O)[C@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911578513 IIBUOWGJBQBGCM-DXPJPUQTSA-N 631.540 5.006 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356291925 GZOCAEKJTWXDLO-VQUPLNLXSA-N 915.280 8.247 50 1 KKGF CC[C@@H]1C=C[C@]2(c3cc[nH]c3)CSSC[C@H](c3cc(O)c(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@@H]2C1 2356363710 OKPTYTCLMYWRKU-LAPJDAGYSA-N 545.723 5.734 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CC1=O)C[C@H](NC(=N)N)CSSC[C@H](CCc1ccccc1)CCCC[C@@H](O)C[C@@H](OC(C)=O)CC2 2356366042 YKXOFUONUUOPER-JHWNSYFGSA-N 714.995 5.811 50 1 KKGF CC(=O)O[C@H](CC=C(C)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 2356508486 YNDZQZOHHGRSLG-NLMFQACASA-N 671.710 7.130 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356516191 OVTNXNNDQDIEMZ-BASRAEBQSA-N 843.203 7.239 50 1 KKGF C[C@H](O)CCC[C@@H]1[C@H]2CC[C@@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356601500 XIQSIXDMTJCWDO-WORXOIBCSA-N 916.219 8.708 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356715438 WVKFKBMNIXGMKL-PQIDJXBPSA-N 859.252 8.403 50 1 KKGF O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@H]5CC#CCCCc6ccccc6C=CC5)CNC[C@]34O)ccc21 2356831086 JLYWXVQVAJSZCX-RZNDZQILSA-N 866.047 6.075 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@@H](C)O)SSCNC3=CC(=CCN3)C2)CCCC1 2356852170 QNUWIUZEZPJADY-YKLVTOSLSA-N 774.106 8.454 50 1 KKGF C[C@H](Cc1ccccc1)[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@@H](O)CCCC1 2356853657 RIETXCTTXQIFIH-DARDLSMJSA-N 866.203 7.168 50 1 KKGF COC(=O)CCC[C@H]1CC2(C[C@H](CCCO[Si](C)(C)C(C)(C)C)N1C(=O)OC(C)(C)C)OCCO2 195371543 GXHMBVCCBKRDOT-SFTDATJTSA-N 515.764 5.643 50 3 KKGF CN(C[C@H](CCN1CCC(O)(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1)C(=O)c1cccc(N=C=S)c1 28391297 HEDACDFYHLDDKF-DEOSSOPVSA-N 568.570 6.957 50 1 KKGF C=C(c1ccc(OC)cc1)[C@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 44086640 YATYPXRGTQGFLI-UCSRXAMQSA-N 578.878 9.873 50 1 KKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1ccccc1-c1ccccc1)OO2 64448151 GUCMZQPTBRRMSI-YGVKWTBRSA-N 527.664 8.976 50 1 KKGF O=C(N/N=C\c1cn(Cc2ccc(Cl)cc2)c2cc(F)ccc12)c1c[nH]c2ccc(Br)cc12 82157654 AJPILLZFGAYCLP-OHUIHDMLSA-N 523.793 6.490 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3Cc3ccnc(c3)NCSS[C@@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 85571153 IARVCFBHGRIWTA-RWYRXGKXSA-N 672.913 8.004 50 1 KKGF biogenic,in-vitro O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccccc1SSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 95542352 OPSUHHOYADOXSA-UHFFFAOYSA-N 768.924 7.382 50 1 KKGF CNC[C@@]12C[C@@H](CC#COc3c4cc(cc3O1)CC/C=C/C(=O)[C@]1(Cc3ccc(O)c(OC)c3)CCC[C@@H]1CSSC/N=C(/NC)N4)[C@@H](C[C@H](O)OC)C2 150347437 REJWRJNKTWEXOI-BKAGWYJUSA-N 779.038 6.289 50 1 KKGF biogenic,in-vitro CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC 150349745 MTWFFTKSJFFSCW-FZYCLJCPSA-N 973.247 8.160 50 1 KKGF biogenic,in-vitro Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171147 XJGABQAQKYATOA-NXCFDTQHSA-N 618.920 5.762 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(/C)C2 195167612 SBWFAIGFKMBQFX-AQORNBKISA-N 798.421 5.306 50 1 KKGF C[C@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C1 198035674 GTLHTVNKXAOYFH-NEYNPXGUSA-N 672.174 10.742 50 1 KKGF S=C(SCCN1CCCCC1)N1CCN(C(=S)SSC(=S)N2CCN(C(=S)SCCN3CCCCC3)CC2)CC1 212338218 QPZKZQNAEQKALR-UHFFFAOYSA-N 697.216 5.181 50 1 KKGF CCCCCOc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br 587057686 WLNKPZZHUFABNQ-UNOMPAQXSA-N 572.334 8.673 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 587328867 WEUIOPYAMDRYPD-SMCANUKXSA-N 534.027 6.694 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)([C@H](NNC(=O)c1ccccc1)c1ccccc1)CC2=O 587470416 MUUXNLJPJVDNKR-BHYZAODMSA-N 506.602 5.881 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(I)c1 587571960 SPGVSZPBBYSONU-WIYYLYMNSA-N 537.147 5.249 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 587670994 NGYFWWPJKDJPMF-XAILHKCVSA-N 550.060 5.367 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)[C@@H](Br)C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 587672207 FBIYAOBQMKOXQY-CJGZFDOYSA-N 583.424 7.095 50 1 KKGF N#CC(=C1Nc2ccccc2N1)[C@]1([C@@H](Cl)c2ccccc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975802 YQXBJOLLVAIJLE-SEIBCYHCSA-N 527.358 5.665 50 1 KKGF Cc1cc([C@@]2(CCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(C)cc1Br 963024434 RBFSQHPCYJNXSQ-YWEHKCAJSA-N 586.313 6.835 50 1 KKGF CC(C)(C)O[C@@H]1C[C@]2(c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1Cl 963043233 UINYXYOPMPCJAX-NMMVYSQMSA-N 582.043 6.615 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2ccc(O)c(C)c2)N1 963171136 LCYRMJCEKSFPFB-IKYOIFQTSA-N 648.601 6.619 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](/C(C#N)=C/C=C/c2ccc(OC)cc2)(C(C)(C)C)N1C(=O)OCC1c2ccccc2-c2ccccc21 963366464 LRIZSXSWTUHKTD-OPRSLNCOSA-N 668.790 8.154 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2)C[C@@H](C)O 2356292764 XMNXDYZXSWQDHW-SVGRYKKQSA-N 934.278 9.734 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356351693 DGSLGZTYHZNLGJ-HYVPFNBTSA-N 962.377 7.080 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@H](CSSCc1cc(O)c(OCCNC5CCCCC5)cc1[C@@H](O4)[C@H]3COC(C)=O)C2 2356352833 CGEASRFEAXVAAG-WQEODHJFSA-N 663.858 7.390 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@H]2O)c1ccc(NCC(C)=O)c(CO)c1 2356354806 AYTRAUIWGRWFQG-CHIKYHBRSA-N 760.975 7.040 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356356672 BYLABABQYQAXRR-CKRIMCFDSA-N 948.342 8.189 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@H]5[C@](C)(CC[C@H]6[C@@](C)(CO)[C@@H](O)CC[C@]65C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@@H]2[C@@](C)(CO)[C@@H](O)CC[C@]21C 2356407806 LFOGUDTXRGAZLK-YRABHCCESA-N 923.373 12.166 50 1 KKGF CCCC[C@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@H](OC)c2cc(O)c1c(O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)c2 2356562678 ZYGXVSICEXXAKB-BDJXUYDASA-N 978.010 5.427 50 1 KKGF CC[C@H](CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 2356743862 IEJKMUZABMNWPG-PXDJNXRDSA-N 528.059 9.048 50 1 KKGF C[C@H](O)CNC[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCCC[C@@H]5CSSCc6c(CO)ccc7c6C=C[C@@H](C[C@@H]5N)[C@@H]7O)o4)ccc3O)[nH]c2CC[C@H]2CCC[C@@H]12 2356767711 FYXKOSZWFUYYOW-JVLZWPRSSA-N 930.287 8.320 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(F)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(F)ccc21 14944321 YPMYGRXQSAAYHQ-UHFFFAOYSA-N 598.700 8.252 50 1 KKGF CCCCc1ccc(NC(=O)c2ccccc2SSc2ccccc2C(=O)Nc2ccc(CCCC)cc2)cc1 29468964 LYPQRTZADAENQD-UHFFFAOYSA-N 568.808 9.676 50 1 KKGF CN(CCc1ccccc1)C(=O)c1nc2ccccc2c(-c2ccccc2)c1CI 45369095 ZBEGUIHUCNDWJY-UHFFFAOYSA-N 506.387 6.152 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(OC(F)(F)F)cc2)cnc2ccc(F)cc12 49746766 RPOUWIVDGCEWCB-LQMNFFGNSA-N 613.637 6.088 50 1 KKGF COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cc(F)ccc4F)C4=C3C(=O)CCC4)cc2c1 96907831 VRGOLZGUONZAQZ-PMERELPUSA-N 575.575 6.490 50 1 KKGF CC1=C(Br)C=C(C#N)C(=O)[C@@H]1Cn1cncc1COCc1ccc(C#N)cc1-c1ccc2c(c1)OCO2 101007693 REKOQYFDMOSCNQ-XMMPIXPASA-N 557.404 5.185 50 1 KKGF CC(=O)O[C@H](C/C=C(/C)[C@@H](Cl)C(Br)Br)[C@@](C)(Br)CCl 169318223 DTCZNJROCVEBBU-NEUUTPNMSA-N 503.884 5.370 50 1 KKGF COCO[C@@H]([C@H](CNC(=O)OC(C)(C)C)c1ccc2c(c1)OCO2)[C@@H]1OC(C)(C)O[C@H]1CO[Si](C)(C)C(C)(C)C 170128808 FUNHZIMGEJKDET-AKAGGGOCSA-N 583.795 5.555 50 1 KKGF C=C1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H](OC(C)=O)[C@]2(C)[C@@H]1[C@H](OC(C)=O)[C@]1(C(C)(C)O)C[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C1[C@@H](OC(=O)c1ccccc1)[C@@H]2OC(C)=O 195278449 JIWBRGSDSABXTE-SJLLEOSVSA-N 843.216 8.861 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586972773 BFMSJLPGQDBJJQ-HNNXBMFYSA-N 500.234 6.951 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 586976488 UYWRXZOLILXPTL-UHFFFAOYSA-N 546.968 8.719 50 1 KKGF COC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1OC 587190726 OKCMNYBIARQEME-NUBKOYIASA-N 649.829 6.390 50 1 KKGF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccc(CBr)cc21 587323202 QAYOGCQFWBQFPB-LITSAYRRSA-N 529.361 6.273 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587331821 KEJOMNCVRTYYGP-FQCZGGRNSA-N 707.210 7.775 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341334 WYQUWANZOAJLSA-NRPKMBBKSA-N 753.235 6.720 50 1 KKGF COc1cc2c3c(c1)O[C@](CCl)(c1cc(C)n(-c4ccc(Br)c(C)c4)c1C)[C@@H](C2)C3=O 587413337 MVCANVWUFKSLBD-NBGIEHNGSA-N 500.820 6.055 50 1 KKGF CC(C)(C)OC(=O)N1CCC([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587538512 PIBWONDQASKRAQ-NLFFAJNJSA-N 518.404 5.135 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587542773 ILJAHDOJOBBJHL-HVNZXBJASA-N 576.001 5.469 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689567 UNWODVNOLYWQBL-JQRIVJTKSA-N 517.826 5.621 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@@H](C)[C@](OC(=O)c5ccco5)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23Cl)N1 587692059 JMJKGMMXVVUYMG-IXCSVBPKSA-N 735.518 7.631 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878557 JZWUAKPTUYOZTQ-LBPRGKRZSA-N 502.623 5.032 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)c1 962626401 JNDIJBCGISDKPB-IUEKTVKYSA-N 593.076 5.634 50 1 KKGF CC1=C(C#N)[C@H](c2cccc3ccccc23)C2=C(CC(C)(C)C[C@@]23c2ccccc2C[C@@]2(C4CCC4)C(=O)NC(=O)N32)N1 962657832 DJOXJSAMOICXFJ-JUGYDRJISA-N 568.721 6.941 50 1 KKGF C[C@@]1(CCBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963218307 RDHDHTLUEOHZSN-RBISFHTESA-N 626.416 5.469 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)C(Br)Br)CC[C@]43C)[C@@H]12 1857646073 VVTQDSHSUWRRTE-KSXCOIJBSA-N 667.523 7.801 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@]([C@@H]4CC[C@@H]5CCC[C@]5(C[C@H](O)CO)C4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356299617 GCSFTFKWKNEHMH-SXPVXQTPSA-N 960.272 8.316 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356299653 GQPZODNHOMJQLR-CRGRVEEESA-N 959.377 9.731 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356301138 REWLKWWXEBRXGT-PKFFJXTQSA-N 864.143 7.929 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C[C@]2(O)[C@H](O)[C@H](Oc3cccc4c3C(=O)[C@@]3(CSSCNc5cc1ccn5)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]3C4=O)O[C@@H](CO)[C@H]2O 2356306483 NUEAQUXIUHVQIT-AVAYUNRUSA-N 925.135 6.161 50 1 KKGF COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@@H]3C=C(C=O)CCC=C(C)CCC=C(C)C3)cc3c(c12)OCO3 2356346899 CNCKKGCRDGSHDH-QFIPXVFZSA-N 557.599 7.146 50 1 KKGF CCC[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356369017 OQXLHAWXBPGHCG-VNYSZCRFSA-N 830.129 9.596 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SSCN[C]7C=C(C=CN7)[C@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356412652 WYPGANCBNHGTBV-RLOUYWHBSA-N 705.963 7.076 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C(=O)C[C@@H](CCNC(=N)NCSSCCCCC[C@@H](CC1)[C@@H](O)C2)[C@H]3CCC(C)C 2356753106 SYBSPWRSWKPGHF-BLPBHALVSA-N 761.108 7.679 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2cc(O)c(O)c(OC)c2)C2(CCCC2)SSC[C@H]1C1=CCN=C1 2356804083 AAPQGHRKVYUSPM-AGBXIKQOSA-N 575.793 6.612 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H](c2cc(O)c(O)c(OC)c2)C2(CCCC2)SSC[C@H]1C1=CCN=C1 2356804085 AAPQGHRKVYUSPM-MVVJZGTDSA-N 575.793 6.612 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356809480 MMSSEWUGUTXCJJ-WABHNEJRSA-N 826.163 7.049 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1CC[C@H]4[C@H](O)C1 2356831563 JQMKQSPWHVKCKG-KQQHJWRRSA-N 867.063 5.197 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25CC[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@@H](O)C1 2356839571 LVVXSOXHDXRHNY-XMZZQSIJSA-N 871.138 6.607 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](C2(N3C=CNC3)CCCC2)SSC1 2356865750 WMFGYVHIUNCMLD-BXDNDUOHSA-N 648.895 7.105 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc(F)ccc2o1 1489471 ZNJVCNKZOAKRMN-SFHVURJKSA-N 553.977 7.147 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cccc(O)c3n2C)c(C(=O)Nc2ccccc2)c2cccc(O)c21 14944346 DVIOTQVUWWUVNL-UHFFFAOYSA-N 594.718 7.385 50 1 KKGF O=C(NC[C@@H](O)c1ccccc1)c1ccccc1SSc1ccccc1C(=O)NC[C@H](O)c1ccccc1 29465778 NMJSTFDGPVQYID-WMPKNSHKSA-N 544.698 5.413 50 1 KKGF C=CCO/C(O)=C1\C(CS(=O)(=O)c2ccccc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802416 WLPXWJSIOHWSGG-KXZZPGAFSA-N 502.514 5.487 50 1 KKGF 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CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@@H]4[C@@H](C(C)C)CC[C@]4(C)CC[C@]23C)C1(C)C 255286915 ZFSNVDPFIMUXQN-JTHJKFCFSA-N 500.764 8.064 50 1 KKGF COC(=O)COC(=O)[C@]12CC[C@@H]([C@](C)(Br)CBr)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@H](Br)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299810466 YMRHYZZIAWGDEK-NBTGVSBSSA-N 765.462 8.275 50 1 KKGF Cc1ccc2c3c(c4c(nc13)[C@]1(CBr)CC[C@H]4[C@]1(C)CBr)-c1ccccc1C2=O 586994418 ZVHYINMLLNQAHY-HCOMASKESA-N 511.257 6.680 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)sc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586994580 XNFLHZQWANOHMO-UHFFFAOYSA-N 506.967 5.543 50 1 KKGF CC[C@@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(S(F)(F)(F)(F)F)ccc6[nH]5)cc4)nc(O)c23)C1 587037286 CTEBNOKBIDZPKQ-CYBMUJFWSA-N 552.594 8.780 50 1 KKGF O=C1C[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)Oc2c1ccc1c2CCCC1 587534148 XEIRLFZZLHWPSU-AREMUKBSSA-N 532.500 5.386 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 587672907 IUVIMDOYNAWIPR-CMJOXMDJSA-N 517.240 7.176 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 587678913 KZNVPXJLULCNCR-SBKAZYGRSA-N 515.604 5.343 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587841916 SMWCJJAJWDPABX-ATANMQQVSA-N 565.936 5.455 50 1 KKGF CC(C)(C)OC(=O)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c2ccc(CCl)cc21 587888607 OOKGKVDDRQMGEK-UHFFFAOYSA-N 505.829 6.181 50 1 KKGF Cc1cccc([C@H]2C[C@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 618018325 XDUWHSRVZPAKGU-SFTDATJTSA-N 570.608 5.313 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(c1ccccc1)c1ccccc1NC(=O)C(C)(C)CCl 961749070 LHWOUVFTMWPVQT-UMSFTDKQSA-N 574.165 7.333 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](c2ccccc2)([C@H](Cl)S(=O)(=O)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962400821 HFJQPUMPGQAXPZ-ABHDAOQPSA-N 665.167 6.624 50 1 KKGF CC(=O)NCc1ccc([C@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962401861 IXOYBCKSZPOKDE-QIKUIUABSA-N 596.083 5.461 50 1 KKGF 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C[C@@]12CCSS[C@]3(CC[C@@H]4C=C(O)C=C[C@@H]4C3)[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356352480 UXKAWYGZIMOSES-NDTFAJIQSA-N 641.944 6.048 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356366767 PZSYRLFABHLUHX-KWUOUNDYSA-N 799.106 5.680 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356372130 YSCADLZTOOWSMJ-ADGYRYRJSA-N 853.198 7.269 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 2356713401 HSSDCDUQXSGFCF-JGFGUPGASA-N 920.207 8.486 50 1 KKGF CC1=C[C@H](OC(=O)c2cccnc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@]2(C)[C@H](OC(=O)c2cccnc2)C[C@]2(C)O[C@@H]2CC1 2356713482 JZUGYIGNDSBHOY-QCLFONMVSA-N 696.797 6.963 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@H]1C(=O)COC(=O)OC(C1CCCCC1)C1CCCCC1 2356754850 YHKWQBFYBUXNDL-RKOXTCHYSA-N 633.697 8.987 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN[C@@H](CCc2ccccc2)C1)C3 2356770890 KOKCMPXWYOVPLN-AFJPERRRSA-N 774.911 6.423 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356777634 AICVCWYERNUPLV-RLWXHAQOSA-N 843.159 5.697 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356826956 HLYLJCVMIVHGHV-TUJOLIIHSA-N 851.193 7.140 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CC[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 2356834312 KASQAIMFZKCFJP-NQVYEHCNSA-N 887.137 6.312 50 1 KKGF 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O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(SC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587332032 ROEFKKNLFQLIOB-IRLDBZIGSA-N 527.333 6.793 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]31C)CC2=O 587455919 HRDZJZLANGRHEL-LREOZBIZSA-N 541.526 6.954 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)c(F)c1 587557346 MVQJNROUGACGSV-WIYYLYMNSA-N 508.137 5.546 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 587686070 SKRKWYJZNROEHS-PTFIGZPYSA-N 533.268 6.598 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1c(F)ccc(Cl)c1Br 961753669 YCBRTOMOJULGJY-DEOSSOPVSA-N 588.743 7.031 50 1 KKGF CC(=O)[C@@]1(O)[C@H](Br)C[C@H]2[C@@H]3CCC4=C[C@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)NCCc1cc(C)c(F)cc15 962300821 QHEIAMWTVUQICK-MJNUOZQOSA-N 544.549 6.131 50 1 KKGF CC[C@@H](Cl)CCn1cc([C@]2(C3C(C)(C)C3(C)C)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c2ccccc21 962959038 RBLHUDGBDWJCOZ-NBLPZQPVSA-N 587.170 8.645 50 1 KKGF C[C@]1(c2ccc(O)c(CCCl)c2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963081413 LRYQUSQAKSASII-STBUXKTCSA-N 754.172 8.393 50 1 KKGF CCOc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772608715 YHXYECBSEFNZDA-QHCPKHFHSA-N 512.450 6.061 50 1 KKGF O=C(N/N=C/c1ccc(-c2cccs2)s1)c1nn(-c2ccc(Cl)cc2)c(=O)c2c1cnn2-c1ccc(Cl)cc1 1772609716 CSGQNRYETFFYLK-AMVVHIIESA-N 591.505 6.432 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857540421 ALPCBGGLNQJMFV-PHAHKRTLSA-N 675.785 8.378 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c(F)c1 1857618229 WWKBCXMBCGZWHV-YDNIURCNSA-N 711.871 8.844 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@]([C@@H]4CC[C@@H]5CCC[C@]5(C[C@H](O)CO)C4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356299619 GCSFTFKWKNEHMH-ZQHDLSNZSA-N 960.272 8.316 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](Cc5ccccc5)c5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356349576 IEYJSBNYTVVFAT-QGQISVIWSA-N 778.188 8.255 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356351420 XAWNMPQKIHIXGV-YLPFEBNSSA-N 860.145 5.849 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@@H]2C=CC[C@H]3O 2356367952 GZSWNBGZJZWDKH-YKNCAFPESA-N 960.317 5.884 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@@]3(NC(=N)NCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356369610 RZLVWQARDAHDBP-FGIFQANUSA-N 782.982 5.392 50 1 KKGF C[C@H](O)[C@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@H](CSSC1)C[C@@H]1[C@@H]2CCC[C@]12C=CC[C@@H](C)C2 2356436033 YFFVNYGARYVPCC-GNHGYALQSA-N 590.939 9.265 50 1 KKGF COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@@]2(C)[C@H]3CC[C@H]2[C@](O)(CCl)[C@H](O)C[C@H](C)[C@H]2C[C@@H]2C)C1 2356607282 TWHOFQMFCFCUBZ-SEBLWDFJSA-N 541.213 5.618 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)[C@H]2NC[C@@H](c3cccc(c3)C1)[C@H](C)N2 2356779060 KKTLSSHWAXMJBQ-VMPIREFWSA-N 701.993 5.013 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](CO)([C@@H]3CC[C@@H]4O[C@H]([C@]5(C)CC[C@H](Br)C(C)(C)O5)CC[C@]4(C)O3)O2)O1 2356797766 OKXDJPPMYREZLD-PGNWNNQQSA-N 603.635 5.202 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@H](O)[C@@H](CC1)C[C@H](NC[C@H](C)O)C2 2356833473 KGMDTIVNCKZRJK-GOAZPBCZSA-N 875.211 5.038 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356859818 TYURCRUTCSFJIZ-KFHUGMANSA-N 907.301 8.448 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@@H](OCCO)CCCC1 2356860153 UCJOGPUDUBGQSU-JGFPJZMPSA-N 820.131 5.715 50 1 KKGF C[C@H](Cc1ccccc1)[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@H]2[C@H](O)CCCC1 2356865078 WJMYXCWKSBQHHE-TZUCNUEOSA-N 840.165 6.851 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356873663 YHQLBLRPISMXOM-MMRSIPDJSA-N 905.285 8.310 50 1 KKGF C[C@@H](CCCCC(=O)O[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)O[C@@H]1O[C@@H](C)[C@H](OC(=O)c2ccccc2)C[C@H]1OC(=O)c1ccccc1 95537489 NDRIKJYHIFIDSJ-ORCJONMSSA-N 750.882 7.289 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccc(O)cc4)C(=O)N3c3ccccc3)s2)cc1 103180334 KLWPALWNUQAUNP-MAGWUSJRSA-N 585.667 5.240 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccccc4O)C(=O)N3c3ccccc3)s2)cc1 103194401 KGINLVMKKCPKLT-MAGWUSJRSA-N 585.667 5.240 50 1 KKGF Cc1nc2c(c(CO)c1O)C[P+](c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)C2 103252251 QSUMEGUYQQHSEX-UHFFFAOYSA-O 563.618 5.939 50 1 KKGF O=C(NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl)c1ccc(CO[C@@H]2C#CCCCCC2)cc1 150533676 NKKYIVUTQBQCOV-VPHSWYRMSA-N 834.863 7.768 50 1 KKGF CCCCCCCC[C@@H](OS(=O)(=O)O)[C@@H](Cl)CCCCCCCCCCCCOS(=O)(=O)O 169621803 IENDHJUGFNARNE-FCHUYYIVSA-N 537.181 6.643 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 587332370 SFTLOISWHSDOET-DCZZNTNPSA-N 555.980 7.422 50 1 KKGF Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587616953 HXUMTFZWAYBSLI-JOMNFKBKSA-N 560.071 6.724 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587686223 BYDMYJCLEZCXBV-LVRGLSNDSA-N 528.893 7.090 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 587712695 QKFXIKIZYLFYGH-WNWIJWBNSA-N 550.015 7.087 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587714767 GUNMFIKRXKTFDZ-DRJOMIGBSA-N 693.069 7.464 50 1 KKGF COCCCN1CCc2ccc(OC)cc2[C@@]12CC(C)(C)CC1=C2[C@@H](c2cccc(F)c2)C(C#N)=C(N)O1 961316893 DADKXPATBXWVRV-JTSJOTPCSA-N 517.645 5.506 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32c3cccc(F)c3CCN2[C@H]2CCSC2)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 962696382 DVQOTMWLRRIRMU-WIRNRSHISA-N 709.921 5.668 50 1 KKGF N#CC(=C1Nc2ccccc2N1)[C@]1([C@H](Cl)c2ccccc2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962975805 YQXBJOLLVAIJLE-WIOYSNFSSA-N 527.358 5.665 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CBr)(c2cc(Cl)cc(I)c2)N1 963184741 TYSPVEFYHZHFIB-CXAGYDPISA-N 609.007 5.854 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963188495 JXFCHPNQRPRTAG-BQLJAQQKSA-N 566.488 6.865 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(c1ccccc1)c1oc2ccccc2c1CBr 963188883 BFNWZKRIRXDBKC-QLWXXVCSSA-N 533.469 7.743 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@@H](O)C5 2356366550 LLNVVCIRRRFTJA-LAKACTFPSA-N 912.265 6.358 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1C[C@H]4CC[C@@H]6CCC[C@@]6(C4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356608498 QVTMLECYCPWKIE-KLWGNHDRSA-N 869.291 9.677 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)CNCC 2356664744 GXWFAMSWGMOMCI-CWAVSJGJSA-N 624.907 5.216 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356731464 OKDFDEFIZYEHIN-FKQPBMENSA-N 859.212 8.956 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NCCCCO)c1ccc(NC[C@@H](C)O)c(CO)c1)CC(=O)CC2 2356772971 NFLOEUQBEWZRCH-ZANHWXDPSA-N 795.033 6.586 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@](O)(C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356803344 WZRJTKGOXQHWCZ-DDUKZJIYSA-N 603.635 5.309 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356809479 MMSSEWUGUTXCJJ-RXMPXNQPSA-N 826.163 7.049 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356827689 IOMHUFOOZJEAKK-FLWOMSQESA-N 597.887 6.122 50 1 KKGF CC(=C[C@@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](OS(=O)(=O)O)CC[C@]12C)OO3)[C@@H](C)C(C)C 2356871232 XYYJZBQRTQGWHJ-QEDQHELTSA-N 522.748 6.691 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@H]4c4ccccc4)n3)cc2)ccc1Cl 4618460 VPDPUQBQBNFYPF-XZOQPEGZSA-N 560.484 5.968 50 1 KKGF CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@H](O)[C@H](Br)C[C@H]3[C@@H]21 29388397 BAECMHORTVAGMR-PPJFIPHSSA-N 604.714 8.368 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(/N=C/c3ccccc3Cl)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84714538 ZIJZSOSDNVWQAK-GBBLVPQKSA-N 578.075 5.575 50 1 KKGF C[C@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC1(CCCC1)[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 85549450 RQFGLQLPUJCMBP-QXJHWNIASA-N 545.859 6.014 50 1 KKGF biogenic,in-vitro CNCc1cc(O)cc([C@@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSSC3CCC2CC3)c1 85597362 CSZLGNHMVQZRMO-ZZUFXEHJSA-N 702.939 8.001 50 1 KKGF biogenic,in-vitro N#CC1=C(N)Oc2c(ccc3ccc(/C=C/c4ccc(Cl)cc4)nc23)[C@@H]1c1ccc(Br)cc1 103174441 ZFSZEFMFLMAUSC-YCDBXGQUSA-N 514.810 7.039 50 1 KKGF CCCNCCCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 150344240 QGUPNGFCDRKSNK-OBAYOFFZSA-O 927.131 6.419 50 1 KKGF biogenic,in-vitro O=C1[C@H](Cl)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586898 MOJBOJSSQKFLBQ-CWTKIQHKSA-N 775.874 9.393 50 1 KKGF N#C/C(C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1/SC=C(c2cc3ccccc3oc2=O)N1c1ccccc1 150610531 OMKYAJNNGHBPOH-HEWBVXJBSA-N 660.711 6.003 50 1 KKGF C/C=C(/C)C(=O)O[C@@H]1[C@H](OC(=O)/C(C)=C\C)C[C@]2(C)[C@@H](CC(=O)/C(C)=C\C(=O)OC)C(C=O)=CC[C@H]2C1(C)C 238758283 VXHKLPBHZWQEEJ-KPQKUNPPSA-N 542.669 5.019 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(C[C@@H](C)CC[C@@H]1C(C)C)OO2 299847092 GVEWMTYYJNQRSH-VWUFKIMQSA-N 690.915 7.713 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(OC(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058427 YVUWFKNZIYUANC-VGOFMYFVSA-N 570.196 8.003 50 1 KKGF CCS(=O)(=O)c1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Cl)c1Cl 587608144 PGZRDDUWCPEJDG-FDDCHVKYSA-N 572.260 5.745 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccc(F)cc3F)c(CCl)c2c1 587619482 GRYNNZXRAFNUDZ-UHFFFAOYSA-N 507.902 5.570 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(Br)c2Cl)N1 587721684 QDGVWQDXMUWDCH-QPFGOUBPSA-N 544.459 6.316 50 1 KKGF COc1ccc(/C=C(\C#N)[C@@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587729974 DNUBWHCFLWFEAU-XNKTVWNBSA-N 517.439 5.997 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 587855247 IIURLHKNWXEOOY-RULNZOCKSA-N 510.413 5.513 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C\CCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587960013 NLWXNWWBBBATPE-WWMAXSSBSA-N 528.675 11.075 50 1 KKGF N#Cc1cc2c(nc1O)CC[C@@H](Br)[C@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962576478 UKJQDDSUZXUQAM-JBKHTMJZSA-N 637.490 5.268 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2[C@@]2(NCCc3ccc(O)cc32)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 963342666 RJKVVJFCFCWEHB-GWDHZTFLSA-N 601.820 5.871 50 1 KKGF C[C@@H](Br)[C@]1(c2ccc3c(c2)CCC(=O)N3)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963578355 FBJPCWJLJMZHES-OKXSDPAFSA-N 651.483 6.270 50 1 KKGF CC(C)(C)C1=C[C@]2(N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)Cc3ccccc32)[C@](Cl)(C(C)(C)C)[C@H](Cl)C1=O 963665055 FXMLGIBVGBGXBA-QHJHJSKUSA-N 601.571 5.100 50 1 KKGF Cc1c(Cl)c(=O)oc2cc(-n3cc(CCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)nn3)ccc12 1857634353 KXXADTAARHHTAQ-KDWZMCHGSA-N 572.058 5.103 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(C)=O)[C@]1(C)O[C@H]1[C@H](C)[C@@H]1C[C@@](OCCCBr)(NC(=O)O1)[C@H](OC)C=CC=C(C)C2 1857743096 YTWKHBPHKZNQDJ-DCLCQKHNSA-N 813.183 5.344 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCCC[C@@H]4[C@H](O)O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@H]4[C@]75OO6)C(=O)O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 1911572747 LYERTYDIYHIZKP-JIVDBBPASA-N 915.127 8.435 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356292460 HMIPWTRJAHFUMS-MRDMSYCKSA-N 821.123 6.558 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356299560 DMLLRSNOEOFTQQ-WJAKBHEBSA-N 871.135 7.201 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2O)C12CCCC2 2356366434 IRUIVDQEMNTHHS-PTPUDVLKSA-N 909.269 8.916 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356671908 PBKUIWMXHPVSQG-LTFNPANYSA-N 845.097 5.443 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@](O)(CO)C[C@@]35C 2356684473 QOVYDENHWCPDCB-YJGKGSNOSA-N 962.325 6.916 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SS[C@H]3C=CC4=C(NCC=C4C2)N3)CCCC1 2356821516 GBONOEHKFXWCAP-FRRYJTJRSA-N 730.009 7.202 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356852323 QPIZVYVYWMADDJ-MMRSIPDJSA-N 907.301 8.230 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3C1CCC4CC1 2356874748 YYTKEJQKPHGKHN-JJTKZRAFSA-N 851.064 6.226 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5cnn(C)c5[N+](=O)[O-])c5ccccc5c43)[nH]c2c(OC)c1OC 27634127 KLALDDJAGLCCEE-FQEVSTJZSA-N 649.060 5.720 50 1 KKGF CCCCC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29241566 GRSIDFUYMUXYLY-XCZPVHLTSA-N 655.575 5.679 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCCN=[N+]=[N-])[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 49952358 NCADOGGUNGRIOW-LNTPYEJRSA-N 631.811 7.722 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN3CCN(CCNc4ccnc5cc(Cl)ccc45)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 66098994 GGBITSDTLJHXIR-HIXGOKCXSA-N 601.188 5.142 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 73352109 DFPBBOCDGYBNBR-VVMULLALSA-N 550.689 5.419 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3cccnc3)nn2)C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 95604477 HHFADQCPHNHRJF-PSBFVGNSSA-N 647.817 5.270 50 1 KKGF N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C\c2ccc(N3CCCCC3)cc2)c1 103265822 QBMNPGSYEZNBBC-DQWRGTGXSA-N 612.778 6.114 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1)Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3ccccc43)cc2c1 150608944 FSSMHHIZSUYNCB-UIOOFZCWSA-N 867.706 10.382 50 1 KKGF CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)O[Si](C)(C)C(C)(C)C)C(C)C)C(N)=O 195265119 YOISDXAVGVRXOR-CLCUVVPESA-N 731.181 6.864 50 1 KKGF CNC(=O)NC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1O[Si](C(C)C)(C(C)C)C(C)C 195524546 HWWFCBMSFNHTQE-QSYCCZFCSA-N 755.126 8.418 50 1 KKGF CCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928794 PWBCODFOAWWVMF-SSTJLMRISA-N 709.406 8.079 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O[Si](C)(C)C)[C@](C)(C=O)[C@@H]5CC[C@]43C)[C@@H]2C1 238737542 QTTFBBGYMYEHFO-NMWSSITLSA-N 615.060 9.565 50 1 KKGF Cc1nc(NS(C)(=O)=O)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586951410 MABOICLUDBAGTC-UHFFFAOYSA-N 513.333 5.786 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@@H](Br)C(C)(C)F)[nH]c3cc21 587087814 VKZCGSXEKXBCKX-GDLZYMKVSA-N 635.578 8.007 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)(C)C)cc1 587544634 OQGXKKXIQYZUMN-JTSJOTPCSA-N 516.037 7.193 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685596 ACFSLXZECFRESS-DLUDVSRJSA-N 519.842 5.799 50 1 KKGF Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COC(=O)O[C@@H]5CCC[C@]6(C5)OOC5(O6)[C@H]6CC7C[C@H]5CC(C(=O)NCCCNC(=O)OC(C)(C)C)(C7)C6)OC4=O)cc3F)cn2)n1 621478493 VROUZBAQFULADX-MXZADQDCSA-N 876.940 5.728 50 1 KKGF C[C@@]1(c2ccc(COCCl)cc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962403175 LFRTYMKDEVEFDG-LXANVCGNSA-N 569.057 6.318 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]31C(C#N)=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(C(=O)NCC(F)(F)F)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C 963059882 VSHQNLKAIKGYEM-VPOYUFIFSA-N 756.954 8.913 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCCC 1857587515 MENXRIHKBIBEFN-NBSZDIBVSA-N 645.917 9.270 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCCC(=O)OCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857599479 IGHAUDOKHWDHEW-HKCBCEKVSA-N 684.161 7.131 50 1 KKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@@]12C(=O)N(Cc1ccccc1)c1ccc(F)cc12 1857616126 CIOJMADTQMOAID-XIFFEERXSA-N 557.537 5.224 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCCCn4cc(CNC(=O)CCCC[C@@H]5CCSS5)nn4)cc3oc2=O)cc1OC 1857748549 GUQXLZFGZIOTDS-HHHXNRCGSA-N 652.839 6.648 50 1 KKGF COc1cc(N[C@H](C)CCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(C(F)(F)F)cc1 1857760409 GEEYNXFDKZBXCX-NQRWXKRTSA-N 709.806 8.575 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)C[C@H]3CO)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857774613 MUMUTRNJZDWKQM-TZBLZWRVSA-N 976.119 5.880 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(C[C@H]4C=C[C@@H]5CCC[C@@]5(C4)C1)NC(=N)N[C@H]2C=CC[C@H]3O 2356350361 ARGPYYIXSGLQRL-BOGJXYAISA-N 944.318 6.393 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356482693 RDFUUOFYZDJOQO-RJOQFCLVSA-N 857.186 5.883 50 1 KKGF CC1(C)c2[nH]c(Br)nc2C=CN2C(=O)C[C@@H]3c4ccc(Br)cc4N[C@@]32C[C@H]1Cl 2356492173 XRFAXSYCYALISO-ASNKJTAVSA-N 526.660 5.332 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@H](C)C(C)C)CC[C@@]4(O)C1=CC3=O 2356543244 MVYQDRXIUYDZFI-AAABDGFOSA-N 894.294 8.805 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356635442 YREKSGXKWCWKDS-FLDYMYAMSA-N 759.085 6.484 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H]3CC[C@@H]4O[C@H]([C@]5(C)CC[C@H](Br)C(C)(C)O5)CC[C@@]4(C)O3)O2)O1 2356641175 HDXGHOIIDFPNSF-PEXYHNOISA-N 587.636 6.229 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)C 2356715373 IOGKKHFUMFJYLW-HQLAYRKDSA-N 623.919 6.531 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)=C3CC[C@](C)(O)[C@@]2([C@H]3CCCO)[C@H]1O)CCC=C(C)C 2356773369 XZZFPLVDTAYNMS-KPQFPJCCSA-N 753.040 6.634 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCO)CCCCC6)c(=O)oc5cc1O2)[C@H]43 2356829941 JCIPUFWUZBFOCZ-HIOTUYBVSA-N 915.188 5.361 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356870767 XUOFESWFNVWVMM-SSXJXPHNSA-N 824.206 11.106 50 1 KKGF COc1cc(NC(=O)CSc2ccc(OC(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 27652018 CFYJQUAXHBEEGM-XKJRVUDJSA-N 553.946 5.448 50 1 KKGF C[C@]1(C(=O)OC(=O)[C@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@H]32)CCC[C@@]2(C)c3cc(O)ccc3CC[C@H]12 38149323 CXSWMXMKWWOTPK-MLPJXLLHSA-N 530.705 6.888 50 1 KKGF N#C/C(=C\c1ccc(Oc2ccccc2)c(I)c1)C(=O)NCCCc1ccccc1 39146659 VHKWBADRSRQJJQ-LTGZKZEYSA-N 508.359 5.739 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)CO)[C@]1(C)CC2 40538079 ZGPUQTWSPUOZQF-JMHSSBPGSA-N 521.698 5.351 50 1 KKGF O=C1C([P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(O)C(=Cc2ccc(Cl)c(Cl)c2)C(O)=C1[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95550290 GRQHZMQDOOMIPJ-UHFFFAOYSA-P 805.678 10.487 50 1 KKGF CNC(=O)[C@H](Cc1c(-c2ccccc2)[nH]c2ccccc12)NC(=O)/C(=C/CCc1ccccc1)CC(=O)NNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 95615855 QEEFWEXKMRZIRZ-RTYIMRNCSA-N 818.794 6.997 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1cc(F)ccc1F)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96908485 HVMFARKWXWDYLI-SSEXGKCCSA-N 573.603 7.118 50 1 KKGF COc1ccc(OC)c(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCCCC5)c(OC)cc34)c(F)c2)c1 96911661 CXDHQQQKMSXKRB-SEBMTOOBSA-N 631.705 6.602 50 1 KKGF CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@]1(C(=O)C(C)C)C3=O 100782330 CSWYLIDLQDJVCQ-IAVULBKQSA-N 568.795 8.133 50 1 KKGF endogenous,in-man COc1ccc(/C=N\NC(=O)c2[nH]c3ccc(Br)cc3c2-c2ccccc2)c(C(=O)O)c1OC 102109475 JJRUBNNGACEDKE-WKIKZPBSSA-N 522.355 5.077 50 1 KKGF CC(=O)OC(=O)c1cc(CCl)ccc1C1c2cc(Cl)c(OC(C)=O)cc2Oc2cc(OC(C)=O)c(Cl)cc21 139342460 MGBKFIKRHPXEGN-UHFFFAOYSA-N 577.800 6.572 50 1 KKGF in-vitro COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OC2CCCC2)c1O 150342922 DDHQCOKWAAIDPK-WHWAWFEISA-N 724.938 7.419 50 1 KKGF biogenic,in-vitro C[C@H](C/C=C/c1ccccc1)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@H]1C1=C[CH+]N=C1 150344264 PXMVWYRJTKUXDB-DYVCMHLJSA-O 815.943 5.236 50 1 KKGF biogenic,in-vitro CCCCCCC[C@@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928850 KDEBQRHOJZQXGT-SPHOGXRMSA-N 737.460 8.859 50 1 KKGF CCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@@H]1C)OO2 299847351 OEIYREHGGKGWIL-DQLOGJBVSA-N 661.877 6.794 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)c2)n1 299870979 XIZYRQIICPHFQR-CJLVFECKSA-N 641.088 5.880 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587328532 JLSGEUGVNBFKDF-IFMALSPDSA-N 563.263 7.218 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(CBr)cc1 587537253 CAJSFTPAWZIGOR-UGKGYDQZSA-N 504.174 5.539 50 1 KKGF CC(C)[C@@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587671015 NPFRKBTWNNNCOG-PXROXKMBSA-N 512.261 5.744 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587671097 PROYJOPQVNVHIF-XMQCVEROSA-N 527.272 6.101 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1NC(=O)c1ccccc1 587687792 IAMRATOOSPEVRK-BSEYFRJRSA-N 504.831 5.407 50 1 KKGF O=c1c2ccccc2c(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)nn1Cc1ccccc1 653854587 UPDSIVAKOCEYDC-UHFFFAOYSA-N 645.763 8.265 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)(F)F)cc3)c1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962618068 DYCNPIMBZMRJTG-FREGXXQWSA-N 621.052 6.924 50 1 KKGF O=S(=O)(c1ccc([C@@]2(CBr)c3ccsc3CCN2Cc2ccco2)cc1)N1CCCCC1 962700059 BOWSHZNCKRCBLJ-DEOSSOPVSA-N 535.529 5.213 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@H]([C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C1)N2C(=O)OC(C)(C)C 962711962 RAQDMASGIHVKBM-UOHPXXJCSA-N 787.058 8.110 50 1 KKGF CC#C[C@]1([C@H](C)O[Si](C)(C)C(C)(C)C)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963032474 JLGLSMNPLLQEQD-VVMQZKGQSA-N 631.792 7.854 50 1 KKGF Cc1ccc([C@@]2(CCl)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)s1 963205741 XUSJUSIFVSYIQI-PWUYWRBVSA-N 534.033 6.392 50 1 KKGF CCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772637460 XYNWKOXRMZVNTQ-FDWHJHKRSA-N 661.792 8.962 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](NC(=O)CCCC(=O)OCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857556618 SNJKJNGXFWCIKU-HKCBCEKVSA-N 683.177 6.704 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cc(Cl)cc(Cl)c4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cc(Cl)cc(Cl)c4)cc23)cc1 1857567412 SCXRCOCVOIVRLD-UHFFFAOYSA-N 870.624 7.998 50 1 KKGF CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3)C(=O)OC(C)(C)C)CCCNC(=O)C1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 1857753802 CULYQLDADODIIV-UHFFFAOYSA-N 983.298 9.288 50 1 KKGF CCCCC[C@@H](C)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356292274 MUOGCCZSVYDGMR-PMUIYIOISA-N 874.226 11.012 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356293775 KEXABOOLVFICPY-UXHZOGNTSA-N 772.002 6.779 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356301872 ZFWOABHUGDODTL-BBMPBKHXSA-N 903.269 8.641 50 1 KKGF COC[C@@H]1C[C@@H]2CCCC[C@]23NCOc2c4cc(c5c2O[C@H](O)[C@@H](C5)[C@@H]2CSSC[C@H](C(C)C)NC(=N)N[C@@H]2C#C[C@]32C=C[C@H]1C2)CC[C@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC4 2356352056 LPABLCBGNPEADL-SUXHGWKVSA-N 953.281 6.682 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]41CCC[C@H]5[C@@H](O)[C@@H](O)C1 2356361304 YLFPSYKZMMZICJ-ORCHRTDSSA-N 850.197 7.389 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356365439 MGSQSAGZFAPXKF-UYUOKBPFSA-N 952.286 5.843 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]3(CC#C[C@@H]2NC(=N)N1)CCCC1(CCCC1)C3)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC5 2356380255 XVXHWAIPLDXFTI-NXJDOHGWSA-N 901.205 6.108 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CCC[C@H]2CN(CCCOC)CC[C@H]21)C3 2356494278 XSXWSLZPQXMXJY-MBWMRYQDSA-N 768.904 5.561 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)C1(CC=C(C)C)CCCC1 2356515751 XZYMMLQWYKZGCV-YPJZNHGYSA-N 540.785 6.140 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@@H](C2(n3ccnc3)CCCC2)SSC1 2356837803 LNDRVMBNKUXLKJ-UDQNWZONSA-N 648.895 6.624 50 1 KKGF C[C@@H]1CC[C@@H]2N3C[C@H]4[C@H]5[C@H](CSSC[C@@H]13)[C@@H]1[C@@H](C[C@H](O)[C@@H]3C[C@H](O)CC[C@]13C)[C@H]5CC[C@@H]4[C@]2(O)[C@@H]1CCC[C@]2(CC[C@H](Cc3ccccc3)C2)C1 2356859124 SRGWDJXDRXNQGS-QIHPMZSJSA-N 734.169 8.867 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@H]6C7=CN=C8CN(C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@@H](O)C1 2356869113 XIASLSSGVLJQBR-XMZZQSIJSA-N 869.122 6.383 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c2c(c(O)c(CNCCCO)c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@@H]1C=C2 2356874444 YWEONRRIFMLJRJ-LDROOZFOSA-N 989.270 7.274 50 1 KKGF C[C@@]1(CC(=O)NCc2ccc(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)CC2(CCCCC2)OO1 49677824 DADPDKNIGTWIBC-HSZRJFAPSA-N 531.493 7.336 50 1 KKGF CSc1ccc(C/C(=N\O)C(=O)NCCSSCCNC(=O)/C(Cc2ccc(SC)c(Br)c2)=N/O)cc1Br 57531107 AFPVJGBDFQJXBO-CZYCKNNWSA-N 724.588 5.715 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 85567811 QFRWYUGDTDFVAP-JPYFWSMLSA-N 636.832 7.743 50 1 KKGF biogenic,in-vitro COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1sccc1Br)C(=O)OC)NCCC(=O)c1sccc1Br 95546969 BJVDVNXMVFORSY-ROUUACIJSA-N 730.588 5.604 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCCCBr)CC[C@H]1C 103200048 DTZXBIGGPYQUGQ-GVKTZWNSSA-N 591.715 8.723 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)Cc4ccccc4)c(=O)oc3cc1O2 150345896 UXOSVHCMTLOIOH-NVBZDVGVSA-N 895.157 6.345 50 1 KKGF biogenic,in-vitro CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 150349798 PDKHPXFKEHGBIL-SDJVJBRDSA-N 917.183 8.198 50 1 KKGF biogenic,in-vitro C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@@H](OC(=O)NCc2ccc(-c3cn(CCCCCCC(=O)NO)nn3)cc2)C1 170185495 UYGBNWBNXHNKCQ-JKZGQAOVSA-N 778.080 8.277 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4ccccc4Cl)cc3O)sc2c1 299832853 WSYWZXJELPCQKB-UVHMKAGCSA-N 510.019 5.452 50 1 KKGF Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)c1 586932324 MPKOWLBOXZCOQN-FQEVSTJZSA-N 654.728 6.994 50 1 KKGF O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 587138516 LAFHOHMDJDOLBJ-SANMLTNESA-N 718.464 10.223 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 587322515 MXLHBNOKMLRAOA-AHKZPQOWSA-N 510.403 6.171 50 1 KKGF O=C(Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1)c1ccccc1 587328123 SZDUQQQJGOBLHL-GGXMVOPNSA-N 501.941 6.277 50 1 KKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)CCl)c(Cl)cc21 587461565 RNXIMGRLGNPDAU-MHZLTWQESA-N 510.373 5.629 50 1 KKGF COc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc(Cl)c(C)c1[N+](=O)[O-] 587539687 XLUVESVWWYMTPY-JPYJTQIMSA-N 534.746 5.523 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(OCc3ccccc3)cc2)([C@@H](C)Br)N1 587671532 TWEBOAXTTSSWGW-BFIDETRKSA-N 533.279 6.728 50 1 KKGF N#CC1=COc2cc(Br)ccc2[C@]12c1ccccc1C[C@@H](C(=O)O)N2C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717344 UKDLWIJVZKEUGC-NBWQQBAWSA-N 711.563 6.609 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CCl)(Cc2ccccc2Cl)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963096776 OBOSSGYHCNGBFZ-GIWKVKTRSA-N 592.566 8.320 50 1 KKGF N#CC1=COc2ccccc2[C@]12c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963100223 USMDWCHRYLFOEE-HCJVMEMPSA-N 560.653 7.033 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 963169120 HAROLYIYFNKIFM-KUHUBIRLSA-N 539.263 5.040 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356291810 AUMHMUDTFLABBE-OWAUTPLLSA-N 825.155 7.218 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@@]21O 2356350093 UTKHPSSJUILTKY-GJMVIHJLSA-N 781.182 8.874 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356364524 XUGAPCZRFIWCDT-AWDJKHHFSA-N 863.244 9.580 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)NC(=N)NC[C@@H]3Cc1ccccc1 2356404851 YUXJHICQCMVDPA-ZVEOFSJXSA-N 635.940 5.762 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1cccc(O)c1 2356498059 HZJZSOFWNCDUKN-YQMXJRDZSA-N 659.870 8.281 50 1 KKGF C[Si](C)(C)OC[C@@H]1O[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1C(=O)OCc1cn([Si](C)(C)C)c2ccccc12 2356514802 NDLCJCPSGOOLEC-MYFOLEFESA-N 698.243 7.852 50 1 KKGF CCC1=CC2=C(C#CCc3c(CNC)c(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OC)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@@H]2O4)C3)N[C@@H]1N 2356816610 DDDHUVIPEYAIHK-LRRKCCQCSA-N 957.272 8.982 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@H]1C)N43 2356867166 VSEGMRYTBUTWKF-HWMWHKOISA-N 732.065 9.209 50 1 KKGF O=C(NCc1cccc2ccccc12)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8019171 YKHNKRISIRHUEB-XFCANUNOSA-N 530.608 6.352 50 1 KKGF C=C1CC[C@H](Br)[C@@]2(C)CC[C@@H]3O[C@@]3(C)CC[C@@H](C(C)(C)O)OC(=O)c3ccc(O)c(c3)C[C@H]12 40425250 DRPSOKQUGMQRLO-KXSKSBKOSA-N 521.492 5.699 50 1 KKGF COc1ccc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2ccc(OC)cc2)OCCN2C(=O)c3ccccc3C2=O)cc1 49889533 IANDALNFBWXUGS-ATXIYDNESA-N 710.790 6.386 50 1 KKGF Cc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84724539 IMCMEOMWNBFBPA-XMMPIXPASA-N 501.993 6.099 50 1 KKGF CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSS[C@@H]2C=C[C@@H]4CC[C@H]2[C@@]4(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC32CCCC2)CC[C@H](C[C@H](O)OC)C1 85596899 OUUUTIPUESMCTM-JYMXVCOQSA-N 821.119 7.459 50 1 KKGF biogenic,in-vitro COc1cc2c(Oc3ccc(NC(=O)NNCc4ccc(F)cc4F)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 96283560 KRFDSKZIGWFFCV-UHFFFAOYSA-N 623.676 6.780 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@@H]5C[C@H]6CC=C5C5(CCCC5)SSC[C@]5(CO)c7c(c(OCCO)cc(c7[C@@H]4[C@H]2O)O3)-c2ccc(O)cc2[C@@H]5CC6)c1O 150342840 XVQMVSBRAQDIII-JKTXKUBBSA-N 937.277 10.085 50 1 KKGF biogenic,in-vitro O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150587026 BJFDRGBCFHJLKG-ZFEZZJPFSA-N 765.322 10.138 50 1 KKGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 150589846 DADDXQFCDGBGQI-VLZNPVHKSA-N 760.903 9.493 50 1 KKGF C[C@H]1CC[C@H]2[C@@](Cc3cccc(F)c3)(C[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169359291 CSXMYAHZUIGMRS-JFSWWMRGSA-N 656.744 5.906 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@@H]([C@@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCC(C)CC1)OO3 299847884 WFEQWOQEOCWDMV-MZICFJNSSA-N 634.807 6.742 50 1 KKGF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)CC1 586879105 DURMYTWUGNIBSI-WKILWMFISA-N 537.436 10.114 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C/c4ccc(C)cc4)[nH]c3cc21 587187414 HECADUMFOCOLCX-NLRVBDNBSA-N 623.757 8.196 50 1 KKGF CC(C)(C)OC(=O)N[C@]1(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]2CCCO[C@@H]2C1(C)C 587239395 JZWBVTDFBKTLKJ-SAZGQGMLSA-N 576.426 7.538 50 1 KKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587710697 HGUHSMQWHYZNQU-XUSGNXJCSA-N 531.438 6.846 50 1 KKGF CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587717894 MMPZFUJJSYPZCF-ODELXVRMSA-N 681.058 6.865 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2C(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)N1 587849195 KBAWUFDADLBISO-XIFFEERXSA-N 764.659 8.931 50 1 KKGF C=CCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653700283 NGNANHWTSKGUOR-HXUWFJFHSA-N 552.871 5.617 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCl)([C@@H]2CCCN2C(=O)C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963065829 FNCDQHDHKLHMJD-IPCQUCSASA-N 799.135 7.630 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@@]1(CBr)c1cc(Cl)c(F)c(Cl)c1 963150762 SGHYEYKMYLHNSL-BFUOFWGJSA-N 540.238 5.474 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@H](CCCBr)N1 963172111 NIXBCBAKCOCDFU-YTMVLYRLSA-N 570.531 6.183 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1ccc([N+](=O)[O-])cc1)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1857594975 SUKMRFOVJDELQK-WDWOYUQWSA-N 636.621 5.501 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)OCCCBr)[C@@H]5CC[C@]43C)[C@@H]12 1857747763 COSQDANWDZWUHB-ZMIMOZRJSA-N 577.688 8.333 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@@H]1CSSC3 2356298839 FMVGUUPJJBFKRF-MMMSVJSUSA-N 903.176 8.579 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@]4([C@@]36C)[C@]21O 2356353503 PTVIWOACYRHCGM-YFNVAOEVSA-N 621.909 6.771 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356354872 BOCIZHFEPIOJPU-NTWXMTRLSA-N 777.100 5.966 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356361325 YVNFBYLROPRONE-JKMNIBIXSA-N 873.147 8.668 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@H](Br)C(C)C)CC[C@]4(C)[C@H]3CC[C@]12C 2356521306 RHVUWCOPIAXOFJ-OSJXPWDQSA-N 565.746 10.076 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356811021 BDJUPQCTASTLFQ-DRXCQYBKSA-N 816.951 5.559 50 1 KKGF CCCCCC[C@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29238131 SLNRSPDRIVWKCN-PXJZQJOASA-N 669.602 6.069 50 1 KKGF CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)NN[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 29571888 FIFNCZWIAJSCTN-YERGJTCLSA-N 617.875 6.535 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl 82196811 WLPCNVCCIRKXNR-PSWAGMNNSA-N 719.666 7.700 50 1 KKGF CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSS[C@@H](O)[C@H](C)C/C=C/4OC5=O)[C@@H]21 85571157 GSHYKBCSZRREPP-ZZLYZMCSSA-N 701.867 5.910 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@@H]2CC[C@H]1CCCSS2)c1cccc(CO)c1 85597389 GCYFHEDPPVNSBY-HXXRWEJHSA-N 673.897 8.240 50 1 KKGF biogenic,in-vitro COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OCCCN(C)C)c3ccccc43)[nH]c2c(OC)c1OC 95543926 IYTDXOSZYKVEJD-DEOSSOPVSA-N 746.217 7.317 50 1 KKGF C[C@@H]1C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O 96906094 KYSAZQMUXWZIQI-NWOSASCHSA-N 514.659 5.264 50 1 KKGF C[C@]12CCSS[C@]3(CC[C@@H]4C=C(O)C=C[C@@H]4C3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]52CC4=O)CCNC(N)=N3 103525115 UXKAWYGZIMOSES-SRDXSWTQSA-N 641.944 5.838 50 1 KKGF biogenic,in-vitro C=CCNC(=O)[C@@H](NC(=O)[C@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)C 150611570 QFFTWHPSVCUMSD-AXJWHKOCSA-N 795.614 5.013 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@H](Cl)[C@]2(C)CC[C@H](O2)[C@@](C)(O)C[C@H]1O 255250611 OAZCZMDHKJUCJE-BVXUSNHPSA-N 719.400 7.492 50 1 KKGF Cc1cc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br 587053949 BCCKOBIRTDHGDZ-SXGWCWSVSA-N 500.227 7.412 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057657 WHJAEWFEIRHKKT-JAIQZWGSSA-N 661.501 8.623 50 1 KKGF CC(C)(C)C(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587373820 JIASFDKLLWEVCQ-NVQXNPDNSA-N 502.007 5.748 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 587688768 OAIKRTZEOFNVEL-RKPUJPDHSA-N 501.827 5.980 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)CBr)c(C(F)(F)F)c1 587893188 WNGDLYYCAIGNIX-UHFFFAOYSA-N 507.133 5.300 50 1 KKGF Cc1cc([C@@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1CCc1ccc(Cl)cc1 963218498 SPCHLLPZGKOWMA-OMGNGIFRSA-N 785.637 8.266 50 1 KKGF CC(C)c1ccc([C@]2([C@@H](C)Cl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C(C)C)c1 963579881 JRJRCQZQPNJUKQ-GMWXTNTRSA-N 622.131 8.476 50 1 KKGF C[C@@H](c1ccc(Cl)cc1)n1nnc2c1NC(=O)C[C@]21C(=O)N(CCCCCCBr)c2ccc(Cl)cc21 1857598709 POILBCHLLATWHK-YHAMSUFESA-N 591.337 6.124 50 1 KKGF N#CC1=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2[C@]12C(=O)N(Cc1ccccc1)c1ccc(F)cc12 1857616125 CIOJMADTQMOAID-MGBGTMOVSA-N 557.537 5.224 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)C(C)=O)CC[C@]43C)[C@@H]12 1857754781 KOZOASQQNOFILV-SFPBSPFFSA-N 509.731 6.705 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@H]5CC[C@]1(O)C[C@@](C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]3CC(=O)c1cc[nH]c1CC#C2)(C4)[C@H]5CCC[C@H](O)CO 2356350809 JZNPJGORXZLNRG-WKCMXUHOSA-N 932.218 7.680 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](c2c[nH]c6cn(cc26)[C@@H](O4)[C@@H](C#C[C@@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@H](O)C1 2356352787 BHPJUHRJMWNEQT-MURSTDKESA-N 941.229 8.448 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]12O 2356362074 AGTOZYFPMXFTIU-IVRWRERESA-N 837.290 10.291 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@H](O)C5 2356366552 LLNVVCIRRRFTJA-QQWRDFRBSA-N 912.265 6.358 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)C=C[C@H](C)C(C)C)CC[C@H]4[C@]34CC[C@@]2(C1)OO4 2356388532 JBMMUQVRNSPMJR-YBMFXMRCSA-N 697.142 13.510 50 1 KKGF CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@@H](C=C(C)C=CC=C(C)CCC=C(C)C)O[C@@H]2O 2356392315 YTKIDWSBNOYJSZ-FTFHHQDVSA-N 612.892 8.636 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@@H]2O)cc(OC)c1O 2356435586 HLNBKOPLEPRLGJ-TYWKCIKUSA-N 666.858 7.105 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356579662 HHEXAWRFKHJOOH-UJNHCCGESA-N 773.030 8.993 50 1 KKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)C[C@H](OC)O[C@@H]1CC(C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)=C1C=O 2356618701 DRFPZBVYKVDYOL-FWCFOGPPSA-N 618.943 10.137 50 1 KKGF COc1cc(Cc2ccc(C(C=O)=C3NCCc4cc(OC)c(OC)cc43)c(OC)c2OC)c(C[C@@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1OC 2356646802 PMXIOUCPVGLKFT-UUWRZZSWSA-N 768.904 6.339 50 1 KKGF CCCCCCCCCCCCCCCCC1=C[C@H](C(=O)OC(=O)[C@H](N)C(C)C)[C@@H]2C(=O)C(C(=O)OC)=C(CCCCCCCCCCCCCCCC)[C@@H]2[C@@H]1C(=O)OC 2356725730 RQQPIMSWJUZZFS-XEYHABLZSA-N 842.256 12.412 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356742922 KLZLKFKXEWUJBL-BIJRUTLNSA-N 978.324 6.234 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2)N1 2356754952 WESNDGOXVMPKAH-MUNIFNMASA-N 797.097 7.295 50 1 KKGF CN[C@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cc(O)cc(C2(NC)CCCC2)c1 2356780182 ODKHFZHQIQVDQW-FRQQJOPASA-N 730.993 8.881 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356822234 FTGZCWKOEYIQJL-GNOCQHTLSA-N 900.085 5.962 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356838785 MDDVZOZWZCKGBX-YRJUVHBMSA-N 888.030 5.221 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356846228 OLLOVYAJHBDPGN-KRWHJCDASA-N 841.109 6.435 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C=C(NCSS[C@H](CCCO)[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@@]6(CO)CC[C@H]([C@@]41C2)[C@](O)([C@@H]6O)[C@H]5O)NC3 2356850457 PQDPJTXFXVUFGZ-UZQGVJTFSA-N 983.215 5.114 50 1 KKGF N#C[C@@H](/C(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 5889168 UCQHQOUILVBNLC-LGOCZYLBSA-N 535.560 5.656 50 1 KKGF C=C(c1ccc(OCCCOc2ccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 49898603 YFBSXFXYOQBCFU-QNHFDCCFSA-N 696.881 8.560 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCBr)CC[C@H]1C 72175122 AHLQNVDOWHTRJP-UFNOZGALSA-N 563.661 7.943 50 1 KKGF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)N(CCO)[C@H]4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 96931442 RKLUQIPNCISSJE-IXYUCFIJSA-N 508.231 7.534 50 1 KKGF Cc1c(-c2ccc(OC(F)(F)[C@H](F)Cl)cc2)sc(-c2nc(-c3c(F)cccc3Cl)nn2C)c1C 103203307 YENBHWQEEDQQJZ-QFIPXVFZSA-N 530.374 7.793 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)Nc2c1c(C)nn2-c1ccc(F)cc1 103950368 OYQOOVQWUQOSKG-GOSISDBHSA-N 523.374 5.098 50 1 KKGF COc1cc(/C=C/C(=O)/C(=N\Nc2ccc([N+](=O)[O-])cc2)C(=O)[C@H](Br)[C@@H](Br)c2ccc(O)c(OC)c2)ccc1O 150612547 NRTHYMDJJORAFX-BOTMQMIGSA-N 677.302 5.542 50 1 KKGF Cc1ccc(N2C(N)=C(C#N)[C@H](c3c(C)nn(-c4ccccc4)c3-n3ccnc3)C3=C2CC(C)(C)CC3=O)cc1 169309751 PCBVVFRETQYDJF-MUUNZHRXSA-N 529.648 5.616 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@](C)(O)c2ccncc2)C1 169851921 OJZNTJDEURTIGT-AWOUGVGJSA-N 511.867 8.338 50 1 KKGF FC(F)(F)c1ccc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(I)c1 587179411 VJRFAPCYQIMBLL-UHFFFAOYSA-N 593.075 8.273 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)c(C(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 587329674 LUCRGUPIOVTNFP-PGRDOPGGSA-N 531.246 6.478 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)N1 587683352 GOYRABUILYMPBR-NAWOXDROSA-N 545.880 6.094 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)N1 587847113 FWHHYIFOBQMGHN-MGBGTMOVSA-N 764.659 8.931 50 1 KKGF O=C(O[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)N1CCCC[C@@H]1[C@@H](O)c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12 621430835 YIGIDZHXWUYKIG-AXEDVKKJSA-N 684.674 8.067 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@]21c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962571684 NWTCHPNOKKQHFW-GJIZVKDCSA-N 703.198 8.148 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962714835 SZPRVPRBTPMHCJ-HRFSGMKKSA-N 515.481 6.312 50 1 KKGF COc1ccc([C@@]2(CCCCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(OC)c1 963012043 IAFDRBRYPHNTFP-QCDSWUKFSA-N 567.469 6.253 50 1 KKGF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(C(F)(F)F)c(Br)c2)N1 963733904 ZDPDFONAZGHLFG-FXSPECFOSA-N 656.293 5.138 50 1 KKGF C[C@](O)(CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857617898 KYGQPPYBVDHHAR-INIZCTEOSA-N 529.427 5.406 50 1 KKGF COc1ccc(-c2cc3ccc(OCCCCCn4cc(CNC(=O)CCCC[C@@H]5CCSS5)nn4)cc3oc2=O)cc1 1857632377 PNZYLPXLBAEYEA-MUUNZHRXSA-N 622.813 6.640 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCOC(=O)CCCC[C@H]4CCSS4)c4ccccc34)[C@@H]21 1857633123 NBFKMBJRWMFJFU-NRUKRWIHSA-N 607.842 6.842 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@H]1N[C@H]5CCC[C@@H](CSSC[C@@H]1O2)C5)CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356292110 KVBTTYUPZIUICB-ONZJRMSVSA-N 900.132 8.112 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=CCCC3CCCCC3)C2)[C@@H]1CC(=O)O 2356320159 JRFGDUWPWCOPAD-XKSROMENSA-N 676.045 9.647 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356360555 IRYNUMWWXVTTHH-XJGLKEBFSA-N 769.087 7.343 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@@H]2NC(=N)NCCc1cccc2cocc12 2356366336 GCJUCKPRWHEEKS-HAIDPYQUSA-N 847.249 8.348 50 1 KKGF COc1c(O)c(OC2CCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@H](O)[C@H]2O5 2356367433 CUJBFBCJBHBMIL-LOMMEWDBSA-N 760.971 7.347 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)[C@@H]6CC[C@@]3(CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@@H]4O)[C@]65C 2356435526 FMHFCMQGZUSLAS-ARADTEHBSA-N 926.248 5.288 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OCCCO)C3)c2O)C12CCCC2 2356524275 XLBOVVXSJWIJAT-WPAABMLASA-N 911.285 8.854 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4[C@H](CNC(=N)N)[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@]34C)[C@@H]2CCCCC2=C51 2356652831 RTNGFZYHHABRLC-SJVOGFFBSA-N 886.282 7.215 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356780441 WQXRNKLSXOZKHF-RVOHOQTRSA-N 612.898 6.515 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356812174 BSKKPMBRSLZZLZ-OQJPNKGBSA-N 940.062 5.271 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356818091 DQKCUHPDTSTPCR-FEBBLVGJSA-N 917.296 7.917 50 1 KKGF CN1C[C@H](Cl)[C@]23C(=Nc4cc(Br)ccc42)N(C)CC[C@@]32Cc3ccc(Br)cc3N=C12 2356820443 FKYDRUSZQJYVQJ-VJBMBRPKSA-N 548.710 5.654 50 1 KKGF S=C(SSC(=S)N1CCC(Cc2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1 45320671 OMUDMACDVNKSCN-UHFFFAOYSA-N 500.824 6.847 50 1 KKGF CCCCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 95543222 FXXIWMZNIQSJQB-LDLOPFEMSA-O 796.919 10.323 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(CN4CCN(c5ccccc5)CC4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106526 FCLZDGCTKJBDJE-CCIQQOPWSA-N 548.724 5.733 50 1 KKGF O=C(NC(=O)N(SSNc1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F 103201860 XMNAHKLANGOWBH-UHFFFAOYSA-N 599.481 7.442 50 1 KKGF CNC[C@@]1(Oc2cc3cc(c2O)N/C(NC)=N\CSS[C@@H]2C=C[C@@H]4CC[C@H]2[C@]4(Cc2ccc(O)c(OC)c2)C(=O)/C=C/CC3)CC[C@H](CCOC)C1 150347493 GSZWBAPHWVGDJI-OHVXEXBQSA-N 751.028 6.871 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3ccc(-c4ccc(C#CCCO[C@@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@]86OO7)cc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309827 VWWQPXXNIDRWSM-DOHFJWKJSA-N 823.036 9.286 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@H](c1cnco1)c1nc([C@@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195351949 KPBVWWBWWNWKKW-GGXMVOPNSA-N 562.868 9.859 50 1 KKGF C[C@@H]1C[C@@]2(N=C(N)CS2)[C@@]2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO[Si](C)(C)C)C[C@H]3O[C@@H]2O1 261138337 MPEFSOBLCQKHQA-IAIYKDBOSA-N 763.159 6.200 50 1 KKGF O=C1C[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2c(Br)cccc2O1 587003308 KCEHAWDFIPXVIG-MRVPVSSYSA-N 562.152 7.381 50 1 KKGF O=[N+]([O-])c1ccc(N2CCCC2)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587268976 GABYKPQDHJMCFT-UHFFFAOYSA-N 513.286 7.158 50 1 KKGF O=C(Nc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 587328132 SZDUQQQJGOBLHL-WNJJXGMVSA-N 501.941 6.277 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1 587341727 ZUTWSPRHAZFFLW-MFIDKRJXSA-N 558.609 6.462 50 1 KKGF C[C@H](Br)[C@@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539017 UDOLIYBZCPCDOW-VCHGGQOGSA-N 504.174 5.795 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 587686073 SKRKWYJZNROEHS-RMKBEBRYSA-N 533.268 6.598 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1OC 587686540 CZCJKSPIWYLAMS-CHAGWJKLSA-N 549.912 6.283 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2Cl)(c2cc([N+](=O)[O-])ccc2NC(=O)CCl)N1 587687289 ZPKMIZJOAOPXSB-RKNYENMMSA-N 567.242 6.153 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(Cl)cc1 587689501 TWMVBFOMEBMKKV-ZWYHUYAOSA-N 510.278 7.054 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)N[C@H](C)Cc3ccc(F)c(Br)c35)[C@@H]2C1 587716189 IVSOWDUZGJINPX-VAZCHVPTSA-N 606.979 6.854 50 1 KKGF C[C@H]1Oc2ccc([C@]3(CBr)c4ccncc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)cc2NC1=O 962478740 XVHKDMDPMBXIKR-PRCBXJKGSA-N 654.517 5.700 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2ccc(OC)nc2)N1 963162947 QGNCKDLEUDMJMO-MFACQUFMSA-N 649.589 6.009 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 963169119 HAROLYIYFNKIFM-IFXJQAMLSA-N 539.263 5.040 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCCCCCl)(c2ccc([N+](=O)[O-])cc2)N1 963177576 DBXMMFHWERGPMS-UTKZUKDTSA-N 505.320 5.909 50 1 KKGF Cc1cc([C@@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)on1 963241587 WABWGAFQNAFIBY-JHOBJCJYSA-N 634.985 5.248 50 1 KKGF CCCC[C@H]1C(C#N)=C(C)NC2=C1[C@]1(CC(C)(C)C2)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963806316 GPIODIAMHFOLGT-RSUXDYMJSA-N 606.767 6.929 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(c1ccccc1)[C@@H](Cl)c1ccccc1 963841453 OSKPMVGDCMWIBK-XWJWOQKWSA-N 506.042 6.855 50 1 KKGF O=C(/C=C/c1cc(O)c(O)c(O)c1)NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1772627441 OWARFCJJRWEZNT-UHFFFAOYSA-O 568.674 6.268 50 1 KKGF O=C(COc1ccc(N2C(=O)[C@H](Cl)[C@H]2c2ccc(Br)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911586285 MJBPKPBHFGWISY-UKKSXFMPSA-N 702.009 5.382 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SS[C@H]7C=Cc8c(ccnc8N7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356291881 FAIFNMNQCZOVFT-QADHSCJOSA-N 779.981 7.476 50 1 KKGF CCC[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356350429 BXOURQXHFKFJDA-YCJZWIHMSA-N 846.128 8.566 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356376321 RLYIEGNMERETJC-NQDYBZMVSA-N 843.203 7.360 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1C[C@H]4CC[C@@H]6CCC[C@@]6(C4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356608501 QVTMLECYCPWKIE-YBFJYCBPSA-N 869.291 9.677 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356618648 BWSVPZGITRPVOU-RQSRHUDCSA-N 915.266 6.228 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356812792 BMJNZCSOBWBYAE-DOSNMXJJSA-N 943.110 5.061 50 1 KKGF COC(=O)c1c(C)[nH]c2c1[C@@H]1C(=C[C@H]2OC(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)/C=C/c2ccc(OC)cc2)C[C@H]1CBr 28108959 LSAHHCLHCBLVPW-BOEWUYRWSA-N 695.655 5.794 50 1 KKGF COc1cc(C(=O)NCCCCCCCCC(=O)NNc2c3c(cc4ccccc24)CCCC3)cc(OC)c1OC 35999560 XYJPAVSBBNRJDP-UHFFFAOYSA-N 561.723 6.348 50 1 KKGF N#C/C(C(=O)N1NC(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O)=C1\SC=C(c2ccccc2)N1c1ccccc1 49777282 VKUJUKUTNQZHLT-PDPONJROSA-N 592.680 5.897 50 1 KKGF CCCCn1nc([C@H](CCC)CCBr)n(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1=O 95545480 IPDKNWWOWDROHW-PSXMRANNSA-N 780.815 9.723 50 1 KKGF Cc1cc(-c2ccc(OC(F)(F)[C@@H](F)Cl)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103174168 GWTSCYLKUVXPEM-OAQYLSRUSA-N 516.347 7.485 50 1 KKGF CCc1ccc(C(=O)N(SOCCc2ccccc2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103214432 DRHOCHCEWQNAJN-UHFFFAOYSA-N 504.696 6.986 50 1 KKGF Cc1nc2c(c3c1OC(C)(C)OC3)C[P+](c1ccccc1)(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)C2 103252246 PBDKYSCDLROPBZ-UHFFFAOYSA-N 603.683 7.386 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@H]6C[C@@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC7=CC[C@@H]6C[C@H]7SS4)[C@@H]5[C@H]2O)O3)c1O 150342844 JZVZKBRBOAYSOT-XURYAIJCSA-N 909.223 9.162 50 1 KKGF biogenic,in-vitro CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCCC3)c2)ccc(O)c1OC 150349791 IWBPLKOHSKGTIX-RGLFBMQPSA-N 987.318 9.931 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)CCCC(=O)OCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297061 HNHVAEUAOPVBEJ-UNJKPMEESA-N 720.897 6.524 50 1 KKGF Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2cccc(NC(=O)CCl)c2)nc1 169350449 DIJSTGBPGIXTLD-UHFFFAOYSA-N 582.970 6.229 50 1 KKGF C=CC(=O)OC(=O)[C@]12CC[C@@H](C(=C)C)[C@@H]1[C@@H]1CC[C@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299805121 WJVIURDOXNGURO-OJFGFTBWSA-N 510.759 7.261 50 1 KKGF O=C(NNC(=S)Nc1cccc(Cl)c1Cl)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 299828265 UFGFEYUFDBCHLY-UHFFFAOYSA-N 525.505 6.641 50 1 KKGF CCC(=O)O[C@@H](O[P@@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(C)C 586919683 HOQIOEVPBJLBOC-CBJYPOATSA-N 761.835 10.943 50 1 KKGF Cc1ccc2c3c(c4c(nc13)C=C1CC[C@H]3[C@@H]5C[C@H]6OC(C)(C)O[C@@]6(C(=O)CCl)[C@@]5(C)C[C@H](O)[C@]3(F)[C@@]1(C)C4)-c1ccccc1C2=O 586996882 UXVNTZSNUPDRLN-AAXKVIEESA-N 656.194 7.308 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cncc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189616 DNIXYFKJIBWCKS-GMNGCZMBSA-N 641.651 6.752 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 587682909 DZVXEQVLBPDOMQ-ZNZBMKLDSA-N 528.293 6.138 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587687499 GZUIAKMLUJNGTR-WVDZOPJMSA-N 571.922 5.810 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 587848472 WLZXXZMFHMVLGA-OZAJXLCCSA-N 546.849 5.577 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(Br)csc1C(=O)CBr 587896995 SIPBCETWWOUYGI-UHFFFAOYSA-N 524.061 5.105 50 1 KKGF CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(c4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)CC[C@]3(C)CC[C@]21C 587947634 AZRLZJQCJXUYMO-XHARGLHYSA-N 847.826 11.992 50 1 KKGF COCCOc1ccc(Nc2ncc(F)c(Nc3cccc(NC(=O)/C(C#N)=C/C(C)(C)C)c3)n2)cc1 621431710 YLUQRWZSVKPIJX-OBGWFSINSA-N 504.566 5.563 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2cc(Br)ccc2F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963089566 FYXKUWTTXKQTLG-LRHLLKFHSA-N 685.431 8.530 50 1 KKGF C[C@]1([C@@]2(O)[C@H](Br)C[C@@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)NCCc2ccc(O)cc21 963353022 ORDBAMVYKYENMT-RGFOQDLJSA-N 528.531 5.390 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCCCCl)(c2ccc(F)c(Cl)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938728 OVBOHCLLCBLDTA-RQDIMXPXSA-N 708.749 7.269 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@H](OC(=O)CCC(=O)O[C@@H]2O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]2C)[C@]64OO5)C[C@H]1C[C@H]3OC(C)=O 1772612040 JCWKFHLEFOMELF-FUSUDDFGSA-N 873.090 7.761 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@H](O)[C@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 2356360201 ZYMGTIJCAMODMS-RNZLFYCOSA-N 682.901 8.332 50 1 KKGF CC(C)=CCCC(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)=C1CCCCC1 2356447875 HZKYWBHFMNTRJC-KMNMCYJVSA-N 628.891 6.052 50 1 KKGF CC1=CCCC(C=O)=CC[C@H](OC(=O)c2cc3c(c4c2c(-n2oo2)cc2ccccc24)OCO3)C(C)=CCC1 2356625805 AGKPBMDODFIHPM-SANMLTNESA-N 527.573 7.206 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CC[C@@H]5CC[C@@H]6[C@H]7CC[C@@H](C)[C@@H](NC(=N)NC)CSSC[C@H]6[C@@H](N)C[C@@H]7C5)o4)ccc3O)[nH]c2CC[C@H]2CCC[C@@H]12 2356634976 QTSPYUXZVBATAM-QRXUEIBWSA-N 992.451 7.560 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5[C@H]6CC[C@@H](C[C@H]61)[C@@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356689089 XNGSDPRAMXPNFI-SWOCTQIOSA-N 517.805 5.299 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCC[C@H](Cc3cccc(O)c3)C1)CC[C@@H](O)CC(=O)CC2 2356700861 IURSOCVSJHFFQH-ZICLLWPWSA-N 937.238 6.792 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@H](CO)C2=CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)O1 2356752611 CJCWTBBBFFKQTA-WRYAMEQDSA-N 603.635 5.166 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356769192 YFVKETPDTZRPQT-XRFVZCCMSA-N 775.084 5.658 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NCCCCO)c1cccc(O)c1)CC(=O)CC2 2356777544 YEHKBWHSWNNGLG-VHRGECNRSA-N 691.912 8.035 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNC3=CC(=CCN3)C23CCCC3)CCCC1 2356816954 DFRSNKGURACAPS-LEHMOFHXSA-N 686.984 8.767 50 1 KKGF CNCc1c(O)c2c(c3c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@H]1N[C@H]3CCC[C@@H](CSSC[C@@H]1O2)C3 2356838885 MEEMUWMUIJCHGZ-JKHQJJMDSA-N 945.217 7.521 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@@]23CC4(CCCC4)C[C@@H]2C=Cc2cncn23)SSC1 2356874109 YSRYZXIQHORELR-QUUDUFNDSA-N 700.971 7.342 50 1 KKGF O=C(NCc1ccccc1)[C@@H](O)Cc1c(SSc2[nH]c3ccccc3c2C[C@H](O)C(=O)NCc2ccccc2)[nH]c2ccccc12 27706113 ZZEJZBLCZXHUBG-ACHIHNKUSA-N 650.826 5.888 50 1 KKGF C=C(C)[C@H](C(=O)OC(c1ccccc1)c1ccccc1)N1C(=O)/C(=C/OC(=O)C(C)(C)C)[C@H]1SSc1nc2ccccc2s1 29316859 YWATVLKHFFXSEO-CCJRNOIMSA-N 644.840 7.956 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)NCCN(C)C)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCC(C)CC1)OO3 49794033 BXXUZQFPCCQGDX-FLGZJGKZSA-N 704.946 6.335 50 1 KKGF CCCC[C@H]1[C@@H](OC(C)=O)CC(=O)C[C@H]2c3cc(OC)c(O)c(O)c3CC[C@H]2SSC[C@H]1C1=C[CH+]N=C1 85624557 KUIJJTBKQYAEGV-GQHGPVMZSA-O 546.731 5.776 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)C(C)(C)NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95582153 UGNKYQQSQIOJTC-UHFFFAOYSA-N 568.699 7.913 50 1 KKGF CC(C)/C=C(\C#N)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3cccc(F)c3)cc2F)c2c(N)ncnc21 149805779 QJBVYURBZSGGMS-OBXYEHHASA-N 543.578 5.243 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344160 QUNNISIZTVWMIP-CRSOLYROSA-N 755.959 7.080 50 1 KKGF biogenic,in-vitro Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2ccc(Cl)cc2)C2=C1C(=O)CC(C)(C)C2 169309760 PTFYLKHZXWRLDG-MHZLTWQESA-N 550.066 5.961 50 1 KKGF COc1ccc2nc3c(c(C)nn3[C@H]3CN(Sc4ccc([N+](=O)[O-])cc4)C[C@@H](CO[Si](C)(C)C(C)(C)C)O3)c(Cl)c2c1 170114642 HYHQVZCMHBUAMA-SQJMNOBHSA-N 630.243 7.392 50 1 KKGF CCO[C@@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(/C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@@H]12)C=CC(C)(C)O4 238751522 IKFKEJSONUWRCD-QOTKLJOVSA-N 590.713 5.722 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](NC(=O)CCNC(C)=O)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@H]4[C@H](O[Si](C)(C)C(C)(C)C)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299810336 SMTKDYGXTCYGPV-GPODKMMBSA-N 957.332 7.746 50 1 KKGF CC1=CC(C)=[N+]2C1=C(CCC(=O)N/N=C1\C[C@H](c3ccc(O)c(O)c3)Oc3cc(O)ccc31)c1c(C)cc(C)n1[B-]2(F)F 299866817 PLWGUBWALGUUCU-SAQNXXARSA-N 588.420 5.427 50 1 KKGF CCCCCCCCOc1cc2nc(/C(C#N)=C/c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2cc1Br 587054349 FJHUWTBNHKNKFB-PXLXIMEGSA-N 614.415 9.843 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 587285631 IWNCUMKLVLQAGC-CUYBMWFDSA-N 753.683 5.404 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587319157 AKDCCLZRBRLKCY-RJZKYMFLSA-N 501.348 5.586 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587371999 GZJDCNRQCYBYNB-AKGWNBJDSA-N 592.088 6.960 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587670037 HRDQHWCLDWYENZ-BUNUKWNGSA-N 577.288 6.030 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)([C@H](Cc2ccc(F)cc2)NC(=O)OCc2ccccc2)N1 587731509 GXKNPLDEVSBOKY-VRKGNZAUSA-N 563.870 6.233 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2scc(Br)c2Br)N1 587845648 RJCIUXGZUWMINQ-ZIDLFYJRSA-N 576.949 6.347 50 1 KKGF CCCC[C@@H](CCCC[C@H](C)[C@@H](OC(C)=O)c1cc(O)cc(O)c1)c1c(O)cc([C@H](OC(C)=O)[C@@H](C)CCCC[C@H](Cl)CCCC)cc1O 653735447 GTRRNAAYKNENPF-RQUDMWDXSA-N 705.373 10.882 50 1 KKGF Cc1cccc([C@@]2([C@@H](C)Br)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 963042434 SINZLEQLQLTYIS-PBSKAROCSA-N 632.501 7.561 50 1 KKGF N#CC1=C(N)OC2=C([C@H]1c1ccccc1)[C@]1(CCC2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963098429 PYMXKSVXNIUEKV-VWCKGWMTSA-N 655.798 8.131 50 1 KKGF Clc1cc(Cl)c2c(c1)[C@](CBr)(c1ccc(-n3cc(Br)cn3)cc1)NCC2 963102720 FFPVUYNZRSAOCY-IBGZPJMESA-N 516.064 5.726 50 1 KKGF CCCCCCCc1ccc([C@H]2C(C#N)=C(C)NC3=C2[C@]2(c4ccccc43)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963135785 COLPWPWXBSAMMH-PIFWXFIOSA-N 678.877 8.650 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@H](c2ccc(N3CC[C@H](CO[Si](C)(C)C(C)(C)C)C3)nc2F)N1 963163811 RRSNXYMQUKSTCI-DUQDBJSUSA-N 758.027 8.438 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCl)(c2ccc(Cl)cc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369259 WFLDJAWDOKQVHO-BZKUTMRRSA-N 622.932 7.530 50 1 KKGF Cc1ccccc1[C@]1(CCCCCl)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963448319 NWNOPZQOTFQKDU-FREGXXQWSA-N 501.026 6.281 50 1 KKGF Cc1cc([C@]2(CCl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C)n1-c1ccccc1F 963581710 OGKZTAQURCJDBP-XIFFEERXSA-N 635.061 7.387 50 1 KKGF CN(C)c1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)Oc5c4c(=O)oc4ccccc54)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1857566083 ZUKNGLGTROUSKY-FXFVSWTPSA-N 641.640 5.521 50 1 KKGF CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=S)N1c1cccc(S(F)(F)(F)(F)F)c1 1857584107 GUCXFBBXEMOHGJ-UHFFFAOYSA-N 515.451 7.151 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc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c3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OCO)c3)[C@@H](O)C[C@@H](OCO)CC4)C2)C1 2356356935 OSEVPXPRIUAFDL-TZLMPDSNSA-N 795.070 6.790 50 1 KKGF CCCCC[C@]1([C@@H]2C[C@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@@]2(NC(=N)NC)CCC[C@@H](C2)Oc2cc(ccc2O)C1 2356369165 CRAVIEIANLOQGF-GKKYQPSQSA-N 823.091 7.980 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@@H](O)C3CCCCC3)C2)[C@@H]1CC(=O)O 2356447040 JWTUSGUHHGLFRQ-BIGJYSMNSA-N 708.043 7.588 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356635447 YREKSGXKWCWKDS-QZSXJDKOSA-N 759.085 6.484 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356673383 LUXKQPPRLHECLW-IURUHMAESA-N 854.237 6.166 50 1 KKGF C[C@H]1CSS[C@H]2C=C[C@@]34C[C@H]2C[C@H](Cc2cc(O)cc(c2)Cc2ccccc2CN1)[C@H]3C[C@@]1(CC[C@]2(CCC3(CCCC3)C2)C1)C[C@@]41C=CC[C@@H](C)C1 2356734998 OVGTVCQCGNQTPW-VADPAKISSA-N 748.199 12.633 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C 2356739362 UGOLTZRZBPOGFH-BBLQOMHCSA-N 644.944 5.610 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@H]4[C@H]2O)O3)c(O)c(OC)c1O 2356768486 OVIXSLUMGONREA-CUNZUKIKSA-N 712.883 6.128 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@@]45C[C@@H](CSSC[C@@H](CC[C@@H]3O)[C@H](C)CC[C@H]4NCCO2)C2(CCCC2)C5)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@H]2O 2356770788 ICQBAGXTIMPJGZ-KVCORKRCSA-N 992.354 6.424 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356774701 CLMBVWJIFSVUGQ-IARHZJIXSA-N 964.349 6.502 50 1 KKGF Cc1ccc2c(C(=O)Nc3ccccc3)c(SSc3c(C(=O)Nc4ccccc4)c4ccc(C)cc4n3C)n(C)c2c1 14944333 RIWLLXKPZKILLE-UHFFFAOYSA-N 590.774 8.591 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3c(C(C)=O)cccc43)[nH]c2c(OC)c1OC 49680303 XDWNQMVXLIYVJG-HNNXBMFYSA-N 537.956 5.441 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)Nc1ccccc1-c1ccccc1)OCc1ccccc1 84633007 ACUWVRCSFNITIR-PMERELPUSA-N 585.795 8.373 50 1 KKGF C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@@H]1C[C@H]3O 96171977 UVECCUOFVSIRQV-SULYVVQSSA-N 746.942 6.670 50 1 KKGF COc1cc(/C=C/C(=N\NC(N)=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(/C=C/c2ccc(O)c(OC)c2)=N/NC(N)=O)ccc1O 96907929 DPXLWGDDGRXQOA-ZPUQMBKWSA-N 747.212 6.480 50 1 KKGF COc1cc(OC)c([C@@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(OC)c1 211522658 PRLFQHHCWWXLCB-HKBQPEDESA-N 689.054 10.473 50 1 KKGF CC(C)=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@@]23C[C@@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O 230092917 CSWYLIDLQDJVCQ-UXLXDXPVSA-N 568.795 8.133 50 1 KKGF endogenous,in-man CC1(C)c2[nH]c(Br)nc2/C=C\N2C(=O)C[C@H]3c4ccc(Br)cc4N[C@]32C[C@H]1Cl 238760861 XRFAXSYCYALISO-NOVGIDDJSA-N 526.660 5.332 50 1 KKGF CC(=O)O[C@@H](C/C=C(/C)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 238770039 YNDZQZOHHGRSLG-IUARYOLWSA-N 671.710 7.130 50 1 KKGF O=C(Cn1c(=O)c(Cc2ccccc2)nc2ccccc21)NNC(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 299868301 ZSFBXVVFBWPRCU-PGUFJCEWSA-N 677.761 5.285 50 1 KKGF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@H]2CCCC[C@@H]21 586958140 GIVRQSPJNHJLTR-VMDGZTHMSA-N 586.446 7.677 50 1 KKGF C[C@H](c1ccc(CBr)cc1)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586972774 BFMSJLPGQDBJJQ-OAHLLOKOSA-N 500.234 6.951 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1C[C@H]1COc2ccccc2O1 587328625 VHJGEXWUQMXDMS-CZXVKTRTSA-N 548.010 6.283 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)N1 587719259 PVXWUPCVMKAJPI-BMHQASFISA-N 669.047 6.652 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CCCCCl)(c2cccc(OC(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962470362 BSNUZKVZULQDCH-HKFHRXRESA-N 651.081 7.893 50 1 KKGF COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)c3cc(C(C)=O)ccc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 962630822 SWKFSWFEEZCQGS-HPSLPFNASA-N 580.077 6.377 50 1 KKGF ClC[C@@]1(c2ncc(Cl)cc2Br)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962640982 MSOMPOIGEPNKPI-RDPSFJRHSA-N 503.271 5.727 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(c3ccccc3C(=O)c3cccc(NC(=O)[C@@H](C)Cl)c31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673874 FFHUDVMRTQWANB-TYFQNXAESA-N 649.065 6.823 50 1 KKGF Cc1cc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(C)n1-c1ccc(F)c(Cl)c1 963028724 XUHNJHPZTYIKOD-GMCHKSTQSA-N 624.927 7.655 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@H](CCCBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 963035432 HVBANKMNCSPNCF-BJKOFHAPSA-N 556.403 6.441 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(Cl)c(Cl)c1)[C@H](Cl)C(=O)c1ccc(Cl)c(Cl)c1 963055780 LOCKDBXORWMJRP-SXOMAYOGSA-N 580.726 7.737 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cc(F)c(CBr)c(I)c2)N1 963180372 PWVYEOWAHWBTJJ-CJNGLKHVSA-N 592.552 5.686 50 1 KKGF CCCC[C@@H]1C(C#N)=C(C)NC2=C1[C@]1(CC(C)(C)C2)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963806320 GPIODIAMHFOLGT-WRAWZCCESA-N 606.767 6.929 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21CC[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C[C@H]1F 963903946 LLIMJABXUFQYMS-DTXKIFIMSA-N 645.888 7.294 50 1 KKGF O=C(N[C@H](CCCCCSSCCO)C(=O)Nc1cccc2cccnc12)OCc1ccccc1 1857540587 OMEMORTXMDILLA-HSZRJFAPSA-N 513.685 5.402 50 1 KKGF C[C@@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857566386 ITFVUMMIDFJIOY-MRXNPFEDSA-N 523.414 7.770 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(OCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)cc1F 1857621084 FAZDIZRCTSJCCA-YDNIURCNSA-N 711.871 8.844 50 1 KKGF C=C1C=CC=C([C@@H]2C[C@@H]3CCC[C@]4(O)CCC(=C(C)C=O)[C@H](CCCO)[C@]34[C@H]2O)COCC#CCC(C)=CCC1 2356351297 UPJQANFHDWEHKL-LXOXETEGSA-N 548.764 5.772 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@H](CSSCc1cc(O)c(OCCNC5CCCCC5)cc1[C@@H](O4)[C@@H]3COC(C)=O)C2 2356352832 CGEASRFEAXVAAG-POGNPZRZSA-N 663.858 7.390 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356372865 NWRZXJSNLUPRIE-PYXSYQEZSA-N 935.300 7.523 50 1 KKGF CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@@H](C)C1(C)C)O[C@H]2O 2356401399 BYGFDSFPDBVAMG-XNXYKQQNSA-N 626.919 8.716 50 1 KKGF CO[C@H](CO)[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@H]3C1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC5 2356489234 PORQRQHUYWTMRI-GUTRAYDHSA-N 975.284 5.197 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(C)O)CCC=C(C)C 2356565387 BCHINQNSSLQLBZ-NKKLTFJOSA-N 536.753 5.526 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](c2ccccc2)CC[C@]32C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356585797 CNFDYAMCCRDKCK-VYAHOPHGSA-N 975.375 10.798 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCCBr)CCCC[C@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356624542 GMONSDQGAGUQRU-NOIPBDAKSA-N 749.784 10.639 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)C[C@H](C2(O)CCCC2)C[C@H]2CN(CCCOC)CC[C@H]21)C4 2356654311 QFLXSRJKMHREAP-LGLRDDOTSA-N 953.139 5.235 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356742847 GFVVQXKYOUSWEY-KFPLLLFKSA-N 799.106 5.824 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@H](C[C@@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)CC[C@]34C)[C@@H]2CN2C[C@H]3CC[C@H](CCc4ccccc4)c4ccccc4CSSC[C@@H](C3)[C@@H]21 2356864574 VWRKIZHQIIQNMJ-SRAKVSTFSA-N 730.137 8.976 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3OC[C@H](O)CO)c3ccccc43)[nH]c2c(OC)c1OC 26501932 OVPDUDJBKVJTPN-JTHBVZDNSA-N 735.146 5.719 50 1 KKGF Clc1ccc(OCc2nnc3sc(SSc4nn5c(COc6ccc(Cl)cc6)nnc5s4)nn23)cc1 43024568 UQNCMHKLJYFMGT-UHFFFAOYSA-N 595.544 5.949 50 1 KKGF C=C1CC[C@@H](Cl)[C@@](O)(COC(=O)c2ccc(Br)cc2)C[C@H]2O[C@@]23[C@H](C(C)(C)O)CC[C@@]3(C)CC1 49881842 IXLSQDRBQLJQKH-OGZANOHWSA-N 555.937 5.790 50 1 KKGF Cc1ccc(-n2c(-c3ccccc3)cc(/C=N\NC(=O)c3cccc(-n4c(C)ccc4C)c3)c2-c2ccccc2)cc1 64264763 KCECNIYLRIVWTD-NHXQZRDHSA-N 548.690 8.291 50 1 KKGF C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)COc1ccc(N(CCCl)CCCl)cc1 73390257 DXVAGWWNINMAJN-DGEDHCKASA-N 577.593 5.950 50 1 KKGF COC1=C(C)C(=O)O/C1=C1/OC2=CC3(CCCCC3)[C@H]3CSSC[C@@H]4CCC5(CCCC5)[C@H]4C[C@H](O)[C@@H]4CCC[C@@H]([C@H]2[C@@H]1C)N43 85532367 LCRAMWCFHNHXFP-HUQKAVDVSA-N 655.967 8.130 50 1 KKGF biogenic,in-vitro COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CCC4)cc2c1 96907834 YMQAWEIBKYSFNJ-SSEXGKCCSA-N 575.575 6.490 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)C3=CC(=O)[C@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@H](C)[C@@H]54)[C@H]3CC[C@H]2C1 253966836 UZOSLJNYISOLSY-AKJHKHFWSA-N 549.546 5.837 50 1 KKGF C=C1C[C@@H]2CC=CC(=O)O[C@H]3[C@@H](C)[C@@H](CC=Cc4nc(co4)[C@H]4C[C@H](O)C[C@@H](C[C@@H](C1)O2)O4)O[C@@H](/C(C)=C/C#N)[C@@H]3C 255285206 YTQSRBIUUZXQQA-RPNJGTFLSA-N 578.706 5.534 50 1 KKGF O=C(N/N=C/c1cccc(Cl)c1Cl)Nc1ccc(-c2nc(N3CCOCC3)c3sccc3n2)cc1 299835174 KSVZLLLLADVRIG-MZJWZYIUSA-N 527.437 5.657 50 1 KKGF N#CC(C#N)=CNc1ccc2ncnc(Nc3ccc(Oc4ccc(Cl)c(Cl)c4)c(Cl)c3)c2c1 473149210 JGCYWQUYTPYNRI-UHFFFAOYSA-N 507.768 7.469 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(Br)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057004 SWNRCXWVENLGTP-VGOFMYFVSA-N 565.096 7.866 50 1 KKGF O=C(N[C@H](c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 587224170 PZHIKAKNOYSQSX-HHHXNRCGSA-N 571.571 8.848 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587360022 KTISXTPLYHKCKZ-AOYPEHQESA-N 562.457 5.211 50 1 KKGF COc1ccc(-c2csc([C@H](C#N)[C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)n2)cc1OC 587536283 UAEBVBNIDSFNGU-CCLHPLFOSA-N 509.027 5.956 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)N1 587673788 PYEFUUWGKJFPJG-YVORESIASA-N 537.270 7.658 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587688347 LQYNVAJUMCHTKA-HJWYETAXSA-N 571.922 5.810 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(I)cc2)N1 587736782 BVAGTCSJOIIWNJ-DYZYQPBXSA-N 539.024 5.366 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 587737495 FPMNUFGFXVKYGK-ACWCSWBYSA-N 670.445 7.627 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@]12C=C1CC[C@H]3[C@@H]4C[C@@H](Br)[C@](O)(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]1(C)CC2 962047314 URGKWLFRUMKUAA-WTGXIXBSSA-N 760.770 5.230 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@@]2(c3ccc(OC)cc3)c3cc(OC)ccc3CCN2C(C)C)cc1 962094743 RRDZGRPSCOSJNT-FQLXRVMXSA-N 538.482 5.869 50 1 KKGF Cc1ccc([C@H]2C(C#N)=C(n3cccc3)OC3=C2[C@]2(CCC3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962472286 FCFXAJILSPZGCJ-SDPHVCLWSA-N 700.795 8.292 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)c3cccc(F)c3CCN5[C@H]3CCSC3)[C@@H]2C1 962705159 JNQBJYKZGLNQJN-LNXBDRBFSA-N 600.215 6.921 50 1 KKGF C[C@@H]1CC[C@]2(c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](Br)C1 963090921 SPIYLUNETNELBI-BPIRANAPSA-N 580.566 7.769 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](COC(C)=O)([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946645 IHMRRGAJXKZRAR-XRIVYBNXSA-N 915.015 7.200 50 1 KKGF C=C1CC[C@H]2[C@@](C)(C(=O)OCCCCCCOC(=O)[C@@H]3C(C=O)=Cc4cc5c(cc4[C@H]3c3cc(OC)c(OC)c(OC)c3)OCO5)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 1857655773 NURTWDDBCWKSLU-GNZONJRMSA-N 987.152 10.847 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356291878 BUHBBWIQTCVKFX-DBPLAVNHSA-N 673.857 5.831 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356300523 MWBMZWPJRURSPW-FIBTXHTRSA-N 907.212 9.009 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNc2cc(ccn2)C1 2356316556 WLIDZPLKYSJOBY-BMGYTMFSSA-N 576.784 7.126 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3cccc(CCO)c23)c1 2356317932 BGCNYURORKRGBT-KLGIVWQHSA-N 936.206 7.458 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@]21O 2356350096 UTKHPSSJUILTKY-XCQMBXDYSA-N 781.182 8.874 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356381895 FIQCFVPZIFWCEA-TVDNLIIUSA-N 955.345 9.430 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356390397 AMLQXPCJWJTBPJ-ZGLRAYHJSA-N 983.303 9.296 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](O)C7CCCCC7)SSCNc7cc(ccn7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356519706 MPDXWROKPVNXFQ-ZFVSOREASA-N 975.331 10.569 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356522298 CLHGSKANCUGMIH-GIFNBEIKSA-N 841.187 6.850 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(OC(C)=O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 2356551020 XAJJUEHMJGKPKD-WNFCNGRASA-N 731.762 6.896 50 1 KKGF C=C1CC[C@@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CC[C@@H](C)C(C=O)=CC[C@@H](C)CC[C@@H]1C(=C)CC[C@@H]2[C@](C)(C(=O)O)CCC[C@@]21C 2356551309 ZDANNBYRXLXFSO-JFGJAHRESA-N 622.931 10.061 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356628328 OYRBLQOMQZDVHI-YCOHPAIOSA-N 819.055 7.355 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@H]1[C@@H](CCN)[C@H]2C=C[C@H]1Cc1ccccc1CSSC[C@@H](Cc1cccc(CO)c1)[C@@H](CC=C[C@H](O)[C@H](O)C1CCCCC1)C2 2356852535 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C[C@H]1[C@@H]2CC[C@H](C)[C@H]3CC[C@@]4(C)OO[C@]23[C@@H](O[C@H]1O[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]1C)[C@]52OO3)O4 101666779 DFPBBOCDGYBNBR-BOTVPTBASA-N 550.689 5.419 50 1 KKGF COc1cc([C@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc(OC)c1OC 150589864 QCGPPOVPSUTVKQ-GIWKVKTRSA-N 820.955 9.511 50 1 KKGF CCCCCCC[C@@H](Cl)[C@@H](CC[C@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O 169621805 QQYZBYZNIRPGDE-YPAWHYETSA-N 571.626 6.860 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccc(Cl)cc4Cl)c4ccccc34)sc2c1 299860283 IYWDBVUPWGXMIL-VWJSQJICSA-N 579.557 7.604 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)n1-c1cccc(Cl)c1Cl 587056668 QIDGOQMPHSLPQQ-QGOAFFKASA-N 537.406 7.117 50 1 KKGF CCCCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br 587189880 FYXMDEFULHMQOP-OKHBASSRSA-N 712.770 8.536 50 1 KKGF Cc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br 587190226 KBLQVXJGUJEJFZ-PBNKNIQMSA-N 654.690 7.666 50 1 KKGF O=C(N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)O)OCc1ccccc1 587202226 GTUMRNTVZZEXTM-AWEZNQCLSA-N 544.296 5.905 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2c(F)ccc(Br)c2Cl)[C@@H]1c1ccc(F)cc1 587328203 BKXFWKMKFPPOCX-GCJKJVERSA-N 558.600 6.736 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)OCc1ccccc1 587337840 RYFNRIAILILQGG-NPLMNSEMSA-N 578.011 6.545 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(CBr)cc2)N1 587674130 TUEWYUFIDOPYNQ-BBATYDOGSA-N 506.051 5.656 50 1 KKGF CC(C)(C)OC(=O)NCCCNC(=O)CC[C@@]1(CCOC(=O)OC[C@H]2CN(c3ccc([C@H]4[C@@H]5CS(=O)(=O)C[C@@H]54)c(F)c3)C(=O)O2)OOC2(O1)C1CC3CC(C1)CC2C3 621477892 WQWUSVWHARZHLU-ZNUCSHDOSA-N 835.945 5.091 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CBr)(c2ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc2)N1 962702666 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C=C(C=CC=C(COC(C)=O)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)CCC=C(C)C 2356514884 PCXCPWDHJKSSOL-RTMXLORFSA-N 528.730 5.541 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356595092 SCUUADLDRYTZTM-WZAQLOIVSA-N 723.011 5.875 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@@H]1C)N43 2356598549 UCOQMHRCPBANSQ-JZSOJFPDSA-N 533.756 5.399 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356769555 IAHRYXGYGVKKCV-KLWPGCLOSA-N 777.018 7.823 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(C)O)CCC=C(C)CCCC(C)C 2356775081 HPMZVMXLIXSKCH-AQBGDFGDSA-N 580.850 6.799 50 1 KKGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2ccccc2Cl)S3)s1 28823791 LZZHYKIONUDZDT-RMORIDSASA-N 675.425 9.349 50 1 KKGF 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1 KKGF CCCCCCCCCCCCCCCC(=O)Oc1c(C/C=C(/C)CCC=C(C)C)c(O)c2c([C@H](CC)OO)cc(=O)oc2c1C(=O)[C@H](C)CC 238785209 WVJSYWPTTUYENB-ZLIRQGAQSA-N 710.993 12.290 50 1 KKGF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586964805 FSTRUJHYDORGBX-UHFFFAOYSA-N 558.400 6.440 50 1 KKGF COc1cc2c3c(c1)O[C@@]1(c4ccccc4C(=O)c4cc(NC(=O)[C@H](C)Cl)c(Cl)cc41)[C@@H](C2)C3=O 587419767 ZKQRSQMLKGFPMS-UTNOXEGVSA-N 508.357 5.150 50 1 KKGF CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534949 GOKYVYRWTDGJQU-PSTIOWGYSA-N 564.147 7.237 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)N1 587673157 KXWVIPKASMNSIY-CFMSYZGJSA-N 549.065 6.723 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(/C(C#N)=C/C=C/c1ccc(OC)cc1)C(C)(C)C 962991951 WCGCUSYNVAFPLU-BHLJVZEJSA-N 613.154 7.428 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(C)c(C)c3)c3ccsc3CCN2Cc2cccnc2)cc1C 962993510 CAMAYWFOKFDFEI-CONSDPRKSA-N 515.122 7.169 50 1 KKGF CC1=C(C#N)[C@@H](c2ccc3c(c2)OCO3)C2=C(N1)c1ccccc1[C@]21NCCc2c(Cl)cc(Cl)cc21 963104147 HEOHVPFWCFRVGX-GGXMVOPNSA-N 514.412 6.021 50 1 KKGF COc1cc2c(cc1OC)C(c1ccccc1P(c1ccccc1)c1ccccc1)(c1ccccc1P(c1ccccc1)c1ccccc1)N(C(=O)c1ccccc1N)CC2 963144410 SESRAHPRKXGKIB-UHFFFAOYSA-N 832.921 8.793 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@]21c2ccccc2CCN1[C@H](C#N)c1ccccc1 963188500 JXFCHPNQRPRTAG-NQOPSTMNSA-N 566.488 6.865 50 1 KKGF N#Cc1c[nH]c2ccc(NC(=O)C[C@H]3CCSS3)cc2c1=Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 1857547446 FCVXPCQHDKWFDB-JOCHJYFZSA-N 565.095 7.126 50 1 KKGF CCCCCCOc1c(OC)cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857551994 KDGAKZVTKCHSQY-NFZXTBNOSA-N 585.661 5.973 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)OCc3ccc4ncnc(Nc5ccc(F)c(Cl)c5)c4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857609918 DIOMMBFVIMPVMV-ZPKFVELUSA-N 670.134 6.741 50 1 KKGF COc1cc(N[C@@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(Cl)cc1 1857757647 DCRLWAZAQVLFKH-RXUYXMHNSA-N 662.271 8.683 50 1 KKGF CCCCC[C@H](C)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356291719 CADSCMIZGOKBFB-MLDYHJGQSA-N 916.263 10.373 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C[C@](CO)(NC(=N)N)CSSC4)O[C@H]21 2356292760 JBPQQGFVLNEGTM-ZJFQLIHYSA-N 736.913 5.084 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(C[C@H](CO)CCCO)CC3)[C@H](O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356333043 NFOWMKPCTDKALR-TYEOEMNHSA-N 940.238 8.638 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCCO)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356354105 VWUYDVNJXDDWSS-QMWMLWSVSA-N 902.226 6.527 50 1 KKGF C[C@@]12CCSSC[C@]34NC(=N)NC[C@@H]3[C@H](c3ccccc3)C=C[C@@H]4CCC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356374414 VPPWXCZHVVPNEF-WSGKPRSCSA-N 621.913 5.687 50 1 KKGF CC1(C)CC[C@]2(C(=O)O[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)[C@](C)(C=O)[C@@H]5CC[C@]43C)[C@H]2C1 2356650776 QTTFBBGYMYEHFO-HUCZKJEUSA-N 615.060 9.565 50 1 KKGF CC(C)=CCCC(C=CC=C(COCCO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)=C1CCCCC1 2356703168 PWSDVAHJMAKGGG-JALLVGJNSA-N 598.865 6.691 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356741146 PCJDCFXOKJJIAN-SDZGCHGRSA-N 676.901 7.612 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@](O)(CO)[C@H](O)C[C@@]6(CSSC[C@@H]7CCC[C@H](CO)[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@@]7(O)C3=CC6=O)[C@@]54C 2356773866 KXBHNRURUPYJCL-WSBOIVTKSA-N 934.271 6.136 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@@H](C)O)C2)Cc2cccc(c2)C1 2356774799 DPARXGBGNZNJEM-KWKGZTKMSA-N 988.361 5.177 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@]23CCC[C@@H]2C=CC2=CNCN23)SSC1 2356835589 KTDKYMOLDUPUCK-CPHUNVCDSA-N 672.917 7.271 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356866866 WIDHAVZVUUXTTA-SVEFJSKJSA-N 597.887 6.122 50 1 KKGF CSCC[C@@H](N)CSSC[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1 14243980 QXXMSEVVNUSHKJ-NLDZOOGBSA-N 582.857 5.778 50 1 KKGF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)Nc1ccc3c(c1)Cc1cc(NC(=O)CCCC[C@H]4CCSS4)ccc1-3)O2 27430531 AUHZRRXAPAUGID-UXCMTWRGSA-N 616.849 8.264 50 1 KKGF C/C(=N/NC(=O)Nc1nc(-c2ccc(Cl)cc2)cc(-c2ccc([N+](=O)[O-])cc2)n1)c1ccc(C)cc1 49803764 BWWMZTGVLBQNGJ-LJUMEUDFSA-N 500.946 6.226 50 1 KKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1cccc(C(F)(F)F)c1)OO2 64453632 BEVQEJNFLDAIRR-ZWKHSQGSSA-N 519.563 8.328 50 1 KKGF O=C(N[C@@]1(C(=O)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1)c1ccccc1 82181623 SDPCVQJBHCOAHU-JGKJRKSSSA-N 706.810 7.483 50 1 KKGF O=C(N/N=C/c1ccccc1)Nc1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 84596618 DUXJBHHKIOCPOU-KBVAKVRCSA-N 617.301 6.733 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/c1ccc(N(C)C)cc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 103011682 NMZAJJKXYKHVET-XPYWQQOKSA-N 548.499 6.646 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccccc4)C(=O)N3c3ccccc3)s2)cc1 103194399 VAQMRUCQOIFUAO-GYROMUKQSA-N 569.668 5.534 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccc(C)c(C)c2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293422 FRHRWKLUGGGAKV-UHFFFAOYSA-N 504.696 7.423 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCCC[C@H](O)CO)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C1 150349153 WAEAQJLRJACEIO-BXMYSHTBSA-N 863.135 7.715 50 1 KKGF biogenic,in-vitro Cc1cccc(C(=O)N(N(SSN(C(=O)c2ccccc2)N(C(=O)c2cccc(C)c2)C(C)(C)C)C(=O)c2ccccc2)C(C)(C)C)c1 150573950 MUSGSHGIAOKLMS-UHFFFAOYSA-N 682.912 8.811 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)OCCBr)CC[C@]3(C)CC[C@]21C 169350671 BQAKSUMTOOZHQG-XWEVEMRCSA-N 577.644 7.266 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CC[C@]3(C)[C@H]5C[C@H](OC(C)=O)[C@@]6(C)[C@@H](CC[C@@H]6[C@H](C)CCC=O)[C@@H]5CC[C@@H]3C2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC=O)[C@@]12C 169358774 IPRHBMMBRROMRN-UZHJCSMRSA-N 865.202 10.920 50 1 KKGF C=CCO/N=C(/C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@]42OO3)[C@H]1O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3 169616852 WGDOECSYODBCCA-LQGNAILWSA-N 631.807 6.436 50 1 KKGF CCCCCC[C@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928791 PWBCODFOAWWVMF-FCMAGTKHSA-N 709.406 8.079 50 1 KKGF O=S(=O)(Nc1ccccc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 586950015 MCXUKEPTVZMUPP-UHFFFAOYSA-N 612.396 7.222 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc4c(c3[nH]2)C(=O)c2ccccc2C4=O)c(C)n1-c1cccc(Cl)c1Cl 587056652 QIDGOQMPHSLPQQ-AQTBWJFISA-N 537.406 7.117 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3[nH]c(-c4nn(Cc5ccccc5F)c5ncccc45)nc(N)c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189295 BDMCPBIBWHAMGR-RHPQQMKGSA-N 803.984 7.518 50 1 KKGF CC1=C(c2ccc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c3c2)NNC(=O)C1 587190836 SMLYDEQUESDSPU-GWAFRCITSA-N 671.883 6.350 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587327423 GGKBJBLCHBUPKD-IRLDBZIGSA-N 545.710 6.733 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587328512 JHNNBBYUUJTIIP-XCZPVHLTSA-N 578.389 8.104 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)[C@H]1c1ccc(F)cc1 587328761 CLIFXAYNCVKEOG-PGRDOPGGSA-N 514.149 6.627 50 1 KKGF COc1cccc(-c2cc(-c3cccc(NC(=O)[C@@H](Br)C(C)C)c3)nc3c2oc2ccccc23)c1 587361591 WNPCUKWIERNGHE-SANMLTNESA-N 529.434 7.682 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567494 AYHVESUCQQGOBH-TTZQNMAGSA-N 518.972 5.891 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3c(CCl)cc(Br)cc3c2=O)N1 587680430 OBDNXHVTOKKYFG-DYBLOJMWSA-N 515.604 5.820 50 1 KKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587682085 BFRWZLUPNKJSKA-DKXYIXTASA-N 516.882 7.177 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587683149 FSSPDKIHVITITP-CQFVWGDYSA-N 667.487 7.979 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 587715244 XMAMXHLDWXIQTG-XYZCENFISA-N 560.021 6.542 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 587738371 NTPMEIAGUXBDPB-QLCIJSRNSA-N 729.340 6.443 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587845057 MNNJSIXRYFBNDH-WMVAVLGLSA-N 578.076 7.715 50 1 KKGF COc1ccc(/C=C/C(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)[C@H](OC(=O)/C=C/c6ccc(OC)c(OC)c6OC)C[C@@H]([C@H]2C)[C@]53OO4)c(OC)c1OC 653764345 HUPUXRLHDCQUHK-FLKXELORSA-N 740.799 5.738 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)N(C)[C@H](C)C2 962574332 UJZXCPBPZPIERQ-IPQOISQHSA-N 522.333 5.422 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1cc(C)n(-c3cc(C)cc(C)c3)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677793 LEYAAQGPWWIEEX-MGBGTMOVSA-N 611.104 7.928 50 1 KKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2ccc(Br)cc2)([C@@H](Br)CC(=O)O)N1 962949791 QVBPTVCHNJXBRP-QOEFQVSFSA-N 506.238 5.337 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C(=O)c1ccc(Cl)cc1 963029343 UNLSVMDPVXJUOA-XQJOSWFISA-N 628.943 8.257 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 963169294 FPHCIHQKEPBMSG-YKSBVNFPSA-N 599.787 6.083 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CCl)(c2ccc(Cl)cc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369260 WFLDJAWDOKQVHO-DITALETJSA-N 622.932 7.530 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3ccc(C(F)(F)F)cn3)nc(Cl)nc21 963918630 ZXPFEQDLCYNMRS-HSZRJFAPSA-N 581.824 5.881 50 1 KKGF C[C@H]1[C@@H]2CC[C@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)c1cccc(SC2CCCCC2)c1)[C@@H](C)[C@H](OC(=O)c1cccc(SC2CCCCC2)c1)O[C@@H]4O3 1772577620 NSTNSSDTFILQFR-BHACBFLKSA-N 736.993 9.737 50 1 KKGF Cc1ccc(CSC(=S)N2CCN([C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)CC2)cc1 1857538876 JMURJNJGQWBKDV-WQDFWOKWSA-N 532.772 5.339 50 1 KKGF c1ccc([P+](CCCc2n(Cc3ccc4ccccc4c3)c3ccccc3[n+]2Cc2ccc3ccccc3c2)(c2ccccc2)c2ccccc2)cc1 1857610569 FZFNKVIMAWDJEY-UHFFFAOYSA-N 702.882 10.259 50 1 KKGF COc1cc(N[C@@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(C)cc1 1857646656 LZDDBHUUFQMSBL-DXDFLXECSA-N 641.853 8.338 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1/C=N/NC(=O)c1nnn(-c2ccc([N+](=O)[O-])cc2)c1C 1857770061 SRBGRJSGVOEFLF-MUFRIFMGSA-N 556.970 5.188 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C1CCCCC1)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@H](c3cccc4cocc34)CNC(=N)N2)C1 2356368309 JQWVCVZMWMVZNE-ZTMTVPJASA-N 948.437 13.276 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356372332 CBUCPQSZOMIHSV-TVIYHIHISA-N 749.046 5.268 50 1 KKGF CN[C@@H]1C=Cc2c(c(O)cc3c2[C@H]2Oc4c(ccc5c4[C@H](CSSC3)Cc3cc(O)cc(OC)c3-5)[C@H]2COC(C)=O)OC1 2356546887 UPKPENHXZJOMRU-WMKNOEKQSA-N 619.761 6.082 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356773926 MPASCQACILSQFD-GMLWVZASSA-N 763.073 5.924 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356808812 AKIWOIGNNPHLBZ-YHVGXZLTSA-N 810.095 8.309 50 1 KKGF COC(=O)c1[nH]c2c(O)cc3c(c2c1C(=O)OC)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 3929852 JNBKSQNMNCVASK-QGZVFWFLSA-N 640.052 5.644 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 42890707 QGGAGOKLWAHAEX-AZPHZNMVSA-N 516.082 5.530 50 1 KKGF N#CC1=C(/N=C/c2ccc(Cl)cc2)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@H]1c1ccc(Cl)cc1 72120129 ZRMXQXNUIGLBBL-OWVDDXPLSA-N 582.494 6.219 50 1 KKGF O=C(NC(=O)N(SSN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1ccccc1Cl 150584259 RHLLDHRZUSTHRZ-UHFFFAOYSA-N 781.059 9.040 50 1 KKGF C=CCO/N=C(/C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3 169294101 WGDOECSYODBCCA-NKUUPJRISA-N 631.807 6.436 50 1 KKGF O=C(O)[C@@H](Br)Cc1cc(I)c(Oc2cc(Br)c(O)c(Br)c2)c(I)c1 169345460 MAEDWDCWVYEMCK-JTQLQIEISA-N 746.753 6.309 50 1 KKGF O=C(OCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 169615578 GHWQINBKNQIKKH-UHFFFAOYSA-O 585.701 7.465 50 1 KKGF CCCC[C@H]1OCc2c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)c(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)nc(C)c2O1 210373477 VCQGRVPVRVKIAU-GGCSAXROSA-N 757.895 9.804 50 1 KKGF CC(C)=CC[C@]12C[C@@H]3C[C@H]4C(C)(C)OO[C@@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@](C(=O)c1ccccc1)(C2=O)C3(C)C 238772579 XWHHFHMIFCAIHB-BELRDVMKSA-N 550.692 5.242 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CC[C@]2(C)[C@H]3C[C@H](OC(C)=O)[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)NCCC)[C@@H]3CC[C@@H]2C1)OO5 253668348 XNBJFFSFESTZGC-GVHDOUEFSA-N 979.394 11.575 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CSCCCCSC[C@@H]3C(=O)O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253684201 KMZJLUPIQIDZHL-FBTRKLSNSA-N 682.898 6.010 50 1 KKGF CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@H](OO)C3)C1(C)C 257470753 LCJOSIBQVUSWIH-RNWVBIMZSA-N 534.693 7.064 50 1 KKGF in-vitro C=C(c1ccc(OC[C@@H](O)COc2ccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)cc2)cc1)[C@H]1COC2(CCCCC2)OO1 299812302 PVRASDIDTPIMMD-MJELOBMASA-N 608.728 6.547 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(C3CCN(c4nccnc4Cl)CC3)nc2c1 587084504 BIMIUBWSSDKZFL-UHFFFAOYSA-N 518.737 6.810 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587321260 CTWNHCBKNYPPBB-WPBIRLGBSA-N 515.968 6.400 50 1 KKGF C[C@H](Br)[C@]1(c2ccccc2C(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587330689 ORISCMFVTXOKLF-YZCBWUASSA-N 509.293 6.588 50 1 KKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1C(F)(F)F 587331450 QKLFVKABDOYGHH-GGAORHGYSA-N 525.292 6.208 50 1 KKGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c15 587691120 CABPCVWSRMBRFO-XIZIEENKSA-N 669.459 6.499 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 587710484 CZCGCJJMQDAXCK-JEOXALJRSA-N 503.725 5.204 50 1 KKGF COc1ccc([C@@]2(CBr)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963241483 UIESJXGLBMPPNY-JKFCTSDTSA-N 734.512 6.125 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCCCCCCl)(c2ccc(C#N)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963365335 HJPUBHXNWSXISP-YFXFWNCGSA-N 649.187 8.046 50 1 KKGF COc1ccc(C)cc1[C@@]1(CBr)c2c(ccc(OC)c2OC)CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963806891 HMNOQWUJEHNIDX-PMERELPUSA-N 577.475 5.408 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SS[C@H]3C=Cc4c(ccnc4N3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356291886 FAIFNMNQCZOVFT-SLCSITFLSA-N 779.981 7.476 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@H](CCN3)SSC1 2356307545 AXDPGYPQVYBPGV-QUGAMOGWSA-N 512.697 5.986 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@@H]4O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@@H]2O1 2356396533 NQICGQXVXIAURW-SYLHXDSZSA-N 853.059 5.561 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@]2(O)CCC[C@H]4CN(CCCOC)CC[C@@H]42)O3)O1 2356413749 JPPFXHQGHYPVQB-MHWHYBLHSA-N 867.049 6.482 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@H]5[C@](C)(CC[C@H]6C(C)(C)[C@@H](O)CC[C@]65C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356473573 JVALCPRTFRUDPB-OWCMKIDISA-N 891.375 14.222 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCN[C]7C=C(C=CN7)[C@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356521734 KCRDPIYPWRWPIU-XHXSQPSYSA-N 689.964 7.757 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356594151 KFFUVLKOQKEGOP-WPLQKGKGSA-N 704.993 5.517 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSS[C@H](CO)c4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356779935 ZJGVHPZHYQGHNK-YXFJCNNCSA-N 774.153 6.058 50 1 KKGF CC(=O)OC(C)(C)[C@@H](C)[C@@H](C)CC(C)=C1[C@H](OO)C[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2356799547 UOFXQDRLLWOZKL-QEGWXWSYSA-N 536.750 5.264 50 1 KKGF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](OS(=O)(=O)O)CC[C@]12C)OO3)[C@@H](C)C(C)C 2356871231 XYYJZBQRTQGWHJ-IPWSDACKSA-N 522.748 6.691 50 1 KKGF COc1cccc(-c2cc(NC(=O)NNc3ccc(N(CCCl)CCCl)cc3)c3cc(Cl)ccc3n2)c1 49774598 SRPARZDQJKCUKE-UHFFFAOYSA-N 558.897 6.996 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 58592613 VYOJHIHCFZNRRM-KGUFOMBVSA-N 661.877 6.938 50 1 KKGF Cc1ccccc1[P+](CCCCCCCCCCN1C(=O)c2ccccc2C1=O)(c1ccccc1C)c1ccccc1C 84587295 UCCVWENPRAHPAJ-UHFFFAOYSA-N 590.768 8.323 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OCCC(C)C)c1O 85567772 HORAHEVKKPFNCK-CVMQLWSPSA-N 696.928 7.989 50 1 KKGF biogenic,in-vitro CO/N=C(\C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 95583172 RMSQGHNEVGHPJO-CYJGERRWSA-N 605.769 5.880 50 1 KKGF COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907821 XMNSICPMAKKIRG-HKBQPEDESA-N 635.646 7.867 50 1 KKGF C[C@H]1CC[C@@H]2[C@H](C)[C@H](O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@@]4(C)CC[C@H]1[C@@]32OO4 101666788 DFPBBOCDGYBNBR-UUZOMVNTSA-N 550.689 5.419 50 1 KKGF Cc1cn([C@H]2C[C@H](n3nncc3-c3cc4ccccc4c4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473137667 ZEXAXBYOTYDSDZ-WIIGKZCBSA-N 583.765 6.373 50 1 KKGF CC(C)[C@@H](Br)C(=O)Nc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587671010 NOYIKPCIVUWBAA-YIKPVDIZSA-N 512.261 5.744 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(F)(F)F)cc1 587712875 LZPFSQIKEVAGSM-ZAMGYDSWSA-N 529.803 7.031 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CCl)NCCc1cc(-c2ccccc2)ccc15 962672334 WMFLOCWNSQCPFG-WJUVBQSFSA-N 590.179 6.281 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](C2CC2)([C@@H](Br)c2ccccc2F)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962712138 MFZRHHBYEZUGHH-CHRJYYARSA-N 718.614 7.684 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CBr)c3cccc(Cl)c3Br)c(O)c2C(=O)O1 962943842 CYFDUOUWBAJOOW-KNPSSNJDSA-N 698.191 6.353 50 1 KKGF CCc1cccc2c([C@]3(CCl)c4ccccc4C[C@@H](C(=O)NC)N3C(=O)[C@H](CC(C)C)[C@H](CSc3cccs3)C(=O)NO)c[nH]c12 963939003 RUPLMSRNSJXMJY-GMVNVMBVSA-N 681.324 6.350 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@H](c2cc(Br)cc(S(F)(F)(F)(F)F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946171 CQCBINRDZKKELN-DPRQWMOBSA-N 770.706 8.333 50 1 KKGF Cc1ccc(Oc2nc3ccc(C)cc3cc2/C=N\NC(=O)c2cc(-c3cc4ccccc4o3)n(-c3ccccc3)n2)cc1 1857553967 MEHGFMLHTYFHRW-GKVNEZTPSA-N 577.644 8.007 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356300532 MWBMZWPJRURSPW-OIQKOBJZSA-N 907.212 9.009 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCC(Br)Br)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356323507 LVFPFIWBRYXLNE-YTWFUBDDSA-N 785.655 10.843 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356353031 GRBFQPDVOIVRLW-FOEOCYGWSA-N 901.150 7.109 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356360173 ZPSNZCJDFTUTGE-WRONYXHVSA-N 640.960 5.069 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)CSSCNc7cc(ccn7)[C@H](CCCO)C4=C5C(=O)O6)[C@H]32)CCCC1 2356546732 QUUPMTWVIGGSFU-XHXSQPSYSA-N 688.956 8.610 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356558434 ACRMTHSZHIGDGF-XIOQGWQRSA-N 655.380 9.155 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356822252 FTLABEDARYDBMG-HPGOASCASA-N 853.209 7.060 50 1 KKGF c1ccc2c(c1)CN(CCCCCCNCCSSCCNCCCCCCN1COc3ccccc3C1)CO2 28221666 LVRNJDLPRUUIAN-UHFFFAOYSA-N 586.912 6.372 50 1 KKGF Cc1cc(OCc2c(-c3cc[nH]c(=O)c3Cl)noc2[C@@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622151 FVLPRJLVJBXVNG-OAHLLOKOSA-N 552.414 6.727 50 1 KKGF COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Cl)s1)C(=O)OC)NCCC(=O)c1ccc(Cl)s1 72115271 CPPVULXPGQWIQE-IYBDPMFKSA-N 641.686 5.386 50 1 KKGF Cc1ccc([P+](Cc2nc(C)c(O)c(CO)c2C[P+](c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)(c2cccc(C)c2)c2cccc(C)c2)cc1 211514264 FWJJHHIWHDEWDF-UHFFFAOYSA-O 773.938 9.427 50 1 KKGF C=C(C)CCOC[C@H]1O[C@@H](n2cnc3c(N[Si](C)(C)C)ncnc32)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 238755351 AOXPNTGIUBBQAS-UMCMBGNQSA-N 551.913 5.394 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@](O)(COC(=O)CCC(=O)O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 253633390 LKGRAXYPFZAARJ-MYZXLSAQSA-N 722.869 5.407 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587671944 VZNDZPYEVWTYBC-LVRGLSNDSA-N 573.344 7.246 50 1 KKGF CC[C@H](Br)[C@@]1(c2ccc(OC)cc2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039416 NXUJQLJXJIWKHX-AAYZJPSRSA-N 662.527 7.651 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@H](c2cc(Cl)cc(S(F)(F)(F)(F)F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963363466 DKIGMHWCWJSKTE-KYJUHHDHSA-N 666.064 9.141 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1ccc(F)c(Cl)c1)c1ccccc12 1772599460 CMRCVFNCRMHYKN-PSXMRANNSA-N 651.061 6.229 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(C)s2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857533775 NSWSWPQSYVIFLJ-MEAOBDDXSA-N 593.569 6.217 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C[C@](CO)(NC(=N)N)CSSC4)O[C@@H]21 2356292672 JBPQQGFVLNEGTM-MABBYIDJSA-N 736.913 5.084 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C3CCCCC3)[C@H]21 2356349561 HVFSMHSJNQCERU-DLEPJRKKSA-N 950.410 8.723 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC4CCCC4)C3)c2O)C12CCCC2 2356359075 CQAHCWKCVKJHEY-UNGHFKMTSA-N 963.361 10.229 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@@](C4)([C@@]21O)[C@@]36C 2356360781 NYDLYIMZZWFMTA-VIAFUIGLSA-N 595.871 6.238 50 1 KKGF CCc1ccc2ccccc2c1[C@@H]1C=C[C@H]([C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c2ccc(O)c(OC)c21 2356364179 UXXONGHXTCMBAS-BPEGEJNTSA-N 970.267 9.627 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356367847 JDUIXENUSQASED-MXCKIMPCSA-N 987.376 9.017 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](C)(O)[C@@]3(CC1)[C@H]2O)CCC=C(C)C 2356368517 LPOOTXOHIQWMRZ-PCYHVKPNSA-N 512.731 5.504 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5[C@H]6CC[C@@](CO)(C[C@H]61)[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356484707 FFBFKAQLRMGQCQ-PQIVLCCRSA-N 601.923 5.974 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSS[C@H]6C=Cc7c(ccnc7N6)[C@@H](CN6C(=O)C=CC6=O)C3=C4C(=O)O5)[C@H]21 2356605018 OKBJBIAVNVSUPT-SGPHRIHISA-N 709.890 6.987 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356735797 ROXMFOMYRUUOPK-ALJFWDHRSA-N 917.336 10.751 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(CC(=O)C3=C1CC)C1=NC(=C(C)C3=NC(=C2)C([C@H](C)O)=C3C)[C@H](C)[C@H]1CCC(=O)O 2356811101 BEEZEVJKKMWNLU-FYINFDKHSA-N 592.696 5.514 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCC8)C[C@@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@@H](O)c2ccc1c3c24 2356852010 QMEUDKCCGQCQLC-IGITVYDTSA-N 939.213 7.258 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356853068 QVYAMABWJXYQTQ-YVGWLBJRSA-N 910.212 8.016 50 1 KKGF C=C(c1ccc(OCCCOc2ccc(C(=C)[C@H]3COC4(OO3)C3CC5CC(C3)CC4C5)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 49898605 YFBSXFXYOQBCFU-NJUCLPJGSA-N 696.881 8.560 50 1 KKGF CN[C@H]1C=Cc2c(c(O)cc3c2[C@H]2Oc4c(ccc5c4[C@@H](CSSC3)Cc3cc(O)cc(OC)c3-5)[C@@H]2COC(C)=O)OC1 85568397 UPKPENHXZJOMRU-DDZFGJCDSA-N 619.761 6.082 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]34 150345863 PIHJOTODNOHHKJ-PWCZHZGESA-N 927.199 6.349 50 1 KKGF biogenic,in-vitro CO[C@@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)/C(C)=C/C=C\[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(C)=O)[C@@H]1C 169326730 PTYVCIVEJQEWFZ-KAYLQEJNSA-N 879.828 5.734 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4ccc(C(C)(C)C)cc4)cc3O)sc2c1 299830046 LVCOWVOCRZHJIP-OKCVXOCRSA-N 531.682 6.096 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(C4CC4)n3Cc3ccccc3)nc2c1 586967150 XMZRQPZKQQKHFG-UHFFFAOYSA-N 566.419 7.792 50 1 KKGF CC[C@H]1CCc2c(sc3nc(-c4ccc(-c5nc6cc(S(F)(F)(F)(F)F)ccc6[nH]5)cc4)nc(O)c23)C1 587037287 CTEBNOKBIDZPKQ-ZDUSSCGKSA-N 552.594 8.780 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063561 OZUCNGZHWKHQJK-UHFFFAOYSA-N 539.751 8.882 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(C(N)=O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190452 KYZHJWCKFGGAIK-RJCQRBOISA-N 604.792 5.694 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(N)=O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191901 ZARYUBWCJVEBKN-UATTUGJOSA-N 604.792 5.694 50 1 KKGF COc1cccc(C(=O)[C@H](Cl)[C@@]2(c3cccc(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587688655 MUTRCMZFUHOOMS-WIDSHULWSA-N 532.837 5.874 50 1 KKGF COC(=O)c1ccc([C@@]2(C(Br)Br)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845355 DVYYPLVNEQVCAC-QPFGOUBPSA-N 556.089 5.330 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)[C@H](Cl)C(=O)c2cccc(Br)c2)c1 587883177 ZOHKGEKLBJYRFA-DEOSSOPVSA-N 577.689 6.139 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)Oc1cc(CC(=O)O)c(O)n1-c1ccnc(CCl)n1 587940784 PNMFUPMWQPNOOK-CJUROJHHSA-N 813.386 5.216 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl)c1[nH]c2ccccc2c1C[C@@H]([C@@H](O)CC(=O)O)N5C(=O)OC(C)(C)C 963072001 YPERBYKKHBOMDD-RJEFPIFSSA-N 851.821 7.674 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 963157291 KJIQQPDMJCKZOP-PHGZYIHRSA-N 693.247 7.457 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C(Br)Br)(C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369903 ZJFJXXZHTJRCTA-HOFKKMOUSA-N 669.288 6.615 50 1 KKGF Cc1cccc2c1[C@]1(C=C(C(C)(C)C)C(=O)[C@H](Cl)[C@]1(Cl)C(C)(C)C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963832432 QDAMIRDBQSZUHD-FLHNPZQPSA-N 566.566 7.013 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1Cl 1772656103 AJLMVRIHSUKYDI-JOCHJYFZSA-N 532.868 6.325 50 1 KKGF C[C@@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857548021 GDRIHKFCGHRDLN-MRXNPFEDSA-N 526.427 6.753 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@H]1C)N43 2356291791 AKWNLQFCYZEMGU-IFVPHOFPSA-N 603.847 5.542 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356301882 ZMHURSBPOCIBJR-XXPWJYBCSA-N 823.139 6.466 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CCC[C@]3(O)CCC(=C(C)C=O)[C@H](CCCO)[C@]23[C@H]1O)CCC=C(C)C 2356489034 HUBIYDMTGAHBSA-LQPYQXOBSA-N 512.731 5.360 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356520817 ZVSACEGTFQLLRK-LRNYTVQASA-N 779.119 7.544 50 1 KKGF C=C1C[C@H](O)[C@@H]2CCCC[C@@H]3C[C@@H]4C(=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]45C)[C@]4(O)[C@@H](CSSC[C@H](n5ccnc5)CC1(C)C)C[C@H]2[C@]34C 2356765417 QJCVSTIUXSTRTL-AMTMFJHDSA-N 685.009 6.390 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](C1(N3C=CNC3)CCCC1)c1cc2cnc1N 2356850450 PQCUHHVZRDJCGI-SBSPAWRVSA-N 646.879 6.879 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@](CCO)(CCc4ccccc4)CCCC[C@H]3O)C=C12 2356858249 SXVMOVAOPXFNDZ-XCLYIHAVSA-N 924.283 7.310 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSSCNC9=CC(=C3CN9)[C@@]1(C2)[C@H]4[C@@](O)([C@@H]6O)[C@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]7C8=O 2356865237 WJYRPPPWACXLQK-USYOQWIQSA-N 991.238 5.999 50 1 KKGF CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@@H]5[C@H](C[C@@H]4[C@H]3CC[C@H]2C1)O[C@]1(OC[C@H](C)C[C@H]1Br)[C@H]5C 299848207 UZOSLJNYISOLSY-ZVNGJYSFSA-N 549.546 5.837 50 3 KKGF in-vitro CCCC(=O)OCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOC(=O)CCC 29474341 AOLBBZSTKGDVSM-UHFFFAOYSA-N 560.738 5.412 50 1 KKGF CCO/C(O)=C1\C(CS(=O)(=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 34802411 IWFSPOYAFLPPQD-JSMIYBGHSA-N 524.948 5.975 50 1 KKGF COc1cc(/C=C(C#N)/C(O)=N/c2nnc(-c3ccc(N(C)C)cc3)s2)ccc1OCCOc1c(C)cccc1C 36243067 IYSYAUTZZNRLBZ-JJIBRWJFSA-N 569.687 6.550 50 1 KKGF CC(=O)Oc1cc(/C=C/c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc(OC(C)=O)c1 44305079 KPLYJZTTXXVPOO-QZQOTICOSA-N 629.713 7.861 50 1 KKGF Cc1c(C(=O)N/N=C(/C=C/c2ccccc2)C(=N/Nc2ccccc2)\N2CCCCC2)oc2ccccc12 49033256 NGDQVUQMTBVOSY-RRZVUMFUSA-N 505.622 6.452 50 1 KKGF COc1cc2c(cc1OCCC(=O)Nc1ccc3oc(C(=O)Nc4cc(N)c5ccccc5c4CCCl)cc3c1)N=C[C@@H]1CCCN1C2=O 49942483 JWCALYDURHKHPI-QHCPKHFHSA-N 680.161 6.939 50 1 KKGF CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(NCCc4ccc(NC(=O)CCCC[C@H]5CCSS5)cc4)nc32)[C@H](O)[C@@H]1O 95551549 KGGRLFLXKXSBIC-MPBXGEDSSA-N 811.047 6.133 50 1 KKGF COc1cc(-c2ccco2)cc(/C=N/CCSSCC/N=C/c2cc(-c3cccs3)cc(OC)c2O)c1O 143630664 ZQOTYYZCKSRTPP-YAGSLNJISA-N 568.742 7.023 50 1 KKGF N/C(=N\CCNC(=O)[C@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)NCCSSCCN/C(N)=N/CCNC(=O)[C@H](N)Cc1ccc(OCc2c(Cl)cccc2Cl)cc1 150528166 AOFFNOKYTUEFCB-XPSQVAKYSA-N 966.890 5.320 50 1 KKGF O=C(Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 299855658 BEINRSCMDQIZFX-UHFFFAOYSA-N 520.929 5.747 50 1 KKGF O=C(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1cccc(C(F)(F)F)c1 587111700 OHXRCSJDEDZNST-UHFFFAOYSA-N 524.231 6.932 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)nc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190171 JCMSCRZXBXVPKY-BBURBPSPSA-N 631.645 7.297 50 1 KKGF COc1ccc([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(F)(F)F 587716417 ZYWRZOZQBDTJFH-MGNBDDOMSA-N 511.151 5.788 50 1 KKGF CCC[C@@H](CC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781384 IWKPKOAYPVBCCO-IBGZPJMESA-N 516.576 8.582 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@]1(C)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963177577 OEMCMSAXFUNXGR-AVXYLWKMSA-N 774.371 7.848 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCl)c3cc4cc(O)[nH]c4cc3Cl)nc(Cl)nc21 963927754 DOLXQDBANWZZEZ-AREMUKBSSA-N 557.869 6.152 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(CC(=O)c2ccccc2)nn1 1857635591 OFNVQGFKKXYXIX-YQTHGNSVSA-N 517.670 5.909 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@H]5CO)[C@H]4[C@@H]2O)O3)c1O 2356370819 UHANFPKXFLDAAG-RZHZTHNCSA-N 768.991 7.544 50 1 KKGF C=C(C)[C@H](CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]12)OO 2356411498 QRFKWBARTXTCMY-DPIYXQCTSA-N 500.676 5.498 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@H](CCc1ccccc1)CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@H]1[C@@H](CO4)C3)CC[C@H](O)CC(=O)CC2 2356605981 YDNBBZWIYBSGKW-HIGJVJETSA-N 851.148 6.598 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)CNCC1CCCCC1 2356687962 HITXQSQGIPMBBA-RLXLKLCHSA-N 664.972 5.732 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356735804 RPTPSEDYZQNUJK-FVSRTFPCSA-N 597.887 6.605 50 1 KKGF CNC[C@@H]1C[C@H]2C=C[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCC4=C(N)N[C@@H](Cn5cc6cc[nH]c6c5)C=C4[C@H]4C=C(C=C(N)N4)CC[C@H]4O[C@@]24C(=O)O[C@@H]13 2356835539 KSPCNXCOBMZBCX-UMKWZOPCSA-N 892.117 5.448 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c(cc(O)c2c1C=C[C@@H]1N[C@H]5CCC[C@@H](CSSC[C@H]1O2)C5)CC#CC1=C(C=C[C@@H](N)N1)C[C@H]1CC[C@@]4(Cc2cc(O)cc(OCO)c2-3)C1 2356853018 QVQGKKVYYUSUES-BGBLMSAHSA-N 902.148 7.802 50 1 KKGF CNCc1c(O)c2c(c3c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc5cc(O)cc(OC)c5-c5ccc6c(c54)O[C@H]3[C@@H]6COC(C)=O)C1)C=C[C@H]1N[C@H]3CCC[C@@H](CSSC[C@@H]1O2)C3 2356871083 XXBKEGWPQHCRAB-JKHQJJMDSA-N 929.218 8.201 50 1 KKGF CC(=C[C@H](C)[C@@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]23C=C[C@@]2(C[C@@H](OS(=O)(=O)O)CC[C@]12C)OO3)[C@H](C)C(C)C 2356871230 XYYJZBQRTQGWHJ-IPQZABNJSA-N 522.748 6.691 50 1 KKGF C=C[C@@]1(C)CCC=C(C[C@@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@H]1C(=C)C=O 14856106 IIBMSRRBRIHDMP-CBZABXCBSA-N 527.573 6.849 50 1 KKGF O=C(O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 17414053 IZYGMLSUEPIQQQ-QNBQWMASSA-N 525.970 6.240 50 1 KKGF CO[C@H]1O[C@@]2(C)OO[C@@]13[C@H](CCOP(=O)(Oc1ccccc1)Oc1ccccc1)CCC[C@@H]3C[C@@H]2C 38158734 HLMRTRQKCGUMRI-KDKBHBTRSA-N 518.543 6.521 50 1 KKGF COc1cc(N[C@@H](C)CCCNC2CCC3(CC2)OO[C@@]2(C)CCC(C(C)C)=C[C@H]2O3)c2ncccc2c1 44221328 XYSFCYPNEHCKJE-AQTCRMJFSA-N 523.718 6.534 50 1 KKGF CC(=O)N[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 44359280 DHSMRSUGISFFLY-GTQMTOCKSA-N 631.685 6.852 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(NCCCNC(=O)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c2c1 44405991 JSYTWNNPOBBHLP-VNIYSRJTSA-N 624.178 6.609 50 1 KKGF CCCCCC/C=C(\CC(=O)NNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC 49898779 ZBCPKTFDPDVKFC-ABFWBJRFSA-N 722.706 5.667 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cncn1 96933836 KWPBRBRTWYIWJV-UMALJDHNSA-N 516.598 5.395 50 1 KKGF CCc1cc2c(nc1N)C#CCc1cc(O)c3c(c1[C@H]1Oc4c(ccc5c4[C@@]4(CC[C@H](C2)C4)Cc2cc(O)cc(OCO)c2-5)[C@@H]1COC(C)=O)C=C[C@@H]1N[C@H]2CCC[C@@H](CSSC[C@H]1O3)C2 150343182 IMSGNEUIPDTTAV-VVYGXGILSA-N 928.186 8.844 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@@H](CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 150348734 LBSCWHVDFSPREN-KWJUSCPOSA-N 688.957 5.528 50 1 KKGF biogenic,in-vitro CC[C@H](C)[C@@H](NC(=O)c1nc(-c2coc(C(CBr)(OC)OC)n2)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)c(C)o1)C(C)C 150608056 ZVGPASHTIWXOAA-QZNVCQCUSA-N 941.903 6.381 50 1 KKGF COc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C23CC3)cc1 223915302 RDUZFLCPJTYRTN-RUZDIDTESA-N 524.461 6.061 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055731 MFNQOTJRCPWVHY-VGOFMYFVSA-N 526.296 7.391 50 1 KKGF COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)c(OC)c1 587222124 YALCJDLZZQHYLA-QNGWXLTQSA-N 737.747 10.445 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)c(F)c1 587557343 MVQJNROUGACGSV-GHTZIAJQSA-N 508.137 5.546 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 587744095 YTPYSLFYLYNFGL-ZOKDDAQRSA-N 557.467 6.517 50 1 KKGF COc1ccc([C@]2(CBr)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cn1 962406306 RNGXHSQNNPYKFI-DLFZDVPBSA-N 600.469 5.384 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)c1ccccc1C[C@@]1(C2CCC2)C(=O)NC(=O)N13 962661160 HPWBKZVQAJCERS-PYEMSWAUSA-N 731.978 8.352 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@H]1[C@H]1C(C=O)=CC[C@H]2C(C)(C)CCC[C@@]21C 962996806 QSDATBPFEJFLMX-KAEAKBMOSA-N 578.149 7.034 50 1 KKGF Cc1cc(C)c2cc(/C=C(\C#N)[C@@]3(C(C)(C)C)c4[nH]c5ccccc5c4C[C@@H]([C@@H](O)CC(=O)O)N3C(=O)OC(C)(C)C)c(=O)oc2c1 963068667 SBBFSFSONIJQTR-LVWKDNOESA-N 639.749 6.737 50 1 KKGF CC1=C(C#N)[C@H](c2ccc3c(c2)OCO3)C2=C(N1)c1ccccc1[C@]21NCCc2c(Cl)cc(Cl)cc21 963104151 HEOHVPFWCFRVGX-LITSAYRRSA-N 514.412 6.021 50 1 KKGF Cc1ccc([S@@](=O)C2=C(c3ccccn3)OC(NC(=O)C(F)(F)F)=C(C#N)[C@H]2c2ccccc2)cc1 1857644435 KCONWLXCQBTLEI-PQZOHRHNSA-N 509.509 5.094 50 1 KKGF CCCCC[C@H](C)C[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356299878 IINNUXIDJDEGFG-GERPXLTNSA-N 900.264 11.402 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H]([C@H](CCc4ccccc4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356350106 UYIPQQHFQLTYCY-MVQWPRKUSA-N 986.443 9.164 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356360892 QUVSERCSZMCZJX-LRHGKWETSA-N 988.282 8.286 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356364939 BUXXJUOCOXGZNO-WOLOVWNMSA-N 717.004 5.251 50 1 KKGF CN=C1NCC[C@@H]2SSC[C@H]([C@@H]3C[C@@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O3)Cc3ccc(O)c(c3)O[C@H]3CCC[C@@]2(C3)N1 2356370912 FDLSNJROBWZSFO-WYGYNAPRSA-N 778.994 6.223 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@@H]3C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]3SSC1)[C@@]1(C=CC[C@H](C)C1)C2 2356395899 WQDKZOIIBMSNIE-XNPIMKQMSA-N 685.100 9.962 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CCCO3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356500140 QKUABODNZYYNDN-JMBMPLIVSA-N 727.006 6.101 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@H](C)O)SS[C@H]7C=Cc8c(ccnc8N7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356536875 SVVCLGAAKCQWQY-OBSXRZHUSA-N 727.993 7.988 50 1 KKGF CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](Cl)[C@@]45O[C@@H]4[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@@]5(C)[C@H]3CC[C@]21C)C(C)C 2356595446 HAAIKLIMLBUYHH-HMTMVPETSA-N 627.303 5.278 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CCC[C@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4C)c1 2356871585 YCFNLGAMBHKACX-ONNHAARDSA-N 710.015 7.573 50 1 KKGF O=C(N/N=C/c1ccc(OCCNCc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1 27650251 RVJHHGIOZBXQDZ-KVAAJVFYSA-N 557.956 6.030 50 1 KKGF COC(=O)CCOC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 28381107 OBZVIZJCEUAGPL-BSDNBSKNSA-N 621.697 7.773 50 1 KKGF CC(C)=CC[C@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C 49872494 LCJOSIBQVUSWIH-JVDFBSCCSA-N 534.693 7.064 50 1 KKGF in-vitro CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCC(N)=O)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 58583669 IALCHWIWLMKPKH-PEQQQWJOSA-N 589.814 6.991 50 1 KKGF O=P(NCCCl)(NCCCl)Oc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1 95541692 YPIJTXBTJSZSHZ-UHFFFAOYSA-N 833.760 12.467 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299820329 LESKKKIMBKXTJX-YSEAAOSESA-N 909.039 6.329 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299842847 YCOIJPSIDUQDNN-OTFNCPPJSA-N 812.448 5.694 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(-c3ccccn3)s2)[C@H]1c1ccc(F)cc1 587378512 VYCPHVQSLKHKSO-UKILVPOCSA-N 510.384 6.304 50 1 KKGF COc1ccc(Br)cc1[C@@]1(CBr)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539518 WTAHFIQUYIAWFD-SIKLNZKXSA-N 520.173 5.415 50 1 KKGF C[C@H](Br)[C@@]1(c2ccccc2Br)N[C@H](C)Cc2cc(Br)c(F)cc21 587670945 MVDFLUQTYLBDBU-DDBGAENHSA-N 506.051 5.912 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 587688372 LZNXUEOEFNVSBZ-DAOPMYJZSA-N 530.696 7.319 50 1 KKGF CN(CCN(C)C(=O)O[C@@H]1CCC[C@]2(C1)OOC1(O2)[C@H]2CC3C[C@H]1CC(C(=O)NCCCNC(=O)OC(C)(C)C)(C3)C2)C(=O)OC[C@H]1CN(c2ccc(-c3ccc(-c4nnn(C)n4)nc3)c(F)c2)C(=O)O1 621478388 QKRLJCMDOBXKOV-UQRMRXTHSA-N 991.088 5.711 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1cnn(-c3ccccc3)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962713108 QKAQGUBGXVNEEI-LJAQVGFWSA-N 614.462 6.554 50 1 KKGF Cn1cc(C(=O)CCl)cc1[C@]1(C(Cl)(Cl)Cl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963095257 MVOLUWSSWGFBCN-NWWLCHBLSA-N 692.470 8.364 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963198399 UTBYTCCNTQKXOV-LASVDHNOSA-N 587.646 7.782 50 1 KKGF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@](CCCCCCl)(c2ccc(F)c(F)c2)N1 963706640 WHFFKVUSTDDKQG-VWYPKUQYSA-N 557.037 5.040 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]21C=C2CC[C@H]3[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@]3(F)[C@@]2(C)CC1 963853089 FMLRRNCYBANKJC-LPDHQDBNSA-N 730.314 7.161 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCl)c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)nc(Cl)nc21 963915822 QDUCTRABIJGVDA-PMERELPUSA-N 589.483 6.887 50 1 KKGF N[P@](=O)(OCCCCCOc1ccc2ncnc(Nc3cccc(Br)c3)c2c1)N(CCCl)CCCl 1772646696 GQKBKXCKNKSJGG-DHUJRADRSA-N 605.301 6.548 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(Cl)cc1 1772651197 XKDMUXOYTMVTBO-IIYFYSPNSA-N 543.454 6.322 50 1 KKGF O=C(O)c1ccc(OCCCCCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1O 1857538076 RBTBPNAGTPZWLC-UHFFFAOYSA-O 597.756 8.754 50 1 KKGF C[C@H](O)NC(=N)NC[C@H]1[C@@H]2CC[C@@H]3[C@@H]4[C@H](O)[C@@H]5C6=C(CCC[C@@H]63)[C@H]3CCCCC3=C5C(C)(C)C[C@@H](n3ccnc3)CSSC[C@H]3C[C@@H]4[C@@]2(C)[C@]3(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356352053 LLPUMDGQIHCOJF-RHWJSGBJSA-N 930.335 7.185 50 1 KKGF CCCCCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356364486 VEZOGQFECMNUIM-AVQGPYJGSA-N 668.026 7.083 50 1 KKGF CC1=CC(=O)O[C@H]2C[C@@H](CC[C@H](C)C=CC=CCC1)O[C@@](OC(=O)NCCCCl)([C@H]1CSC(=O)N1)C2 2356385458 ZBKZGKOPNVIOTD-ZQATVHPOSA-N 541.110 5.222 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(OCO)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@@H](O)[C@@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 2356487280 VOCAZNBKJMRCBC-RNSXKIOFSA-N 922.179 7.546 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@]2(O)CCC[C@H]4CN(CCCOC)CC[C@H]42)O3)O1 2356670022 XKVFNCDHZJREFT-QDIRCGIASA-N 883.048 5.453 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2cc(O)c(O)c(OC)c2)C2(CCCC2)SSC[C@H]1c1cc[nH]c1 2356778129 NFIGMEDCCCXBAV-AGBXIKQOSA-N 575.793 7.097 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]34C)[C@]1(C)CC2 27425267 DHAWJSBWINUXKR-XEQLZJSWSA-N 508.699 6.054 50 1 KKGF CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNC(=S)NNC(=O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 28231080 YBKQGIVRWXQJJS-JHOVWCEZSA-N 669.767 7.139 50 1 KKGF CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]32C)C1=O 28526730 UYLUNZVIASNMRS-UNLRMARRSA-N 539.109 5.409 50 1 KKGF C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(CCCCC4)OO3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 42876119 JMCXAUIMHKVSCX-IHLOFXLRSA-N 534.649 7.520 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(c3ccccc3)CCCCC2)SSC1 85596448 LUTZEMGCOHRSRV-WQHIPCMCSA-N 644.903 8.655 50 1 KKGF biogenic,in-vitro COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(OC(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 96283557 LVZDSAOWSGYQKL-CHSHITCJSA-N 657.621 6.330 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCCCNc1c2c(nc3sc4c(c13)CCCC4)CCCC2 98084418 DUJCQSYDRVRFTN-GOSISDBHSA-N 503.803 6.686 50 1 KKGF C/C(=N\NC(=O)CSc1nnc(-c2nc(C(C)C)cs2)n1-c1ccccc1)c1ccc(Cl)cc1 103194126 XNNSEOCIWQRJCG-JVWAILMASA-N 511.076 5.800 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)O[C@H]5CC[C@@]6(C)C[C@@H]7C=C[C@@]6(OO7)C5(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 169299809 ROBCWKFPUJQMPN-TURTZKOWSA-N 636.958 10.774 50 1 KKGF C=CC[C@@H]1C(=O)[C@@]2(O[Si](C(C)C)(C(C)C)C(C)C)CC[C@@H]1C[C@H]2NC(=O)OCC(Cl)(Cl)Cl 195489437 XIGYJVAPBLQYPP-VQQMMKBISA-N 527.005 6.957 50 1 KKGF COC(=O)CCCCCCCC[C@H](I)CCCCCCI 238749477 VDUKTFYQSFELAG-INIZCTEOSA-N 522.249 6.469 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2ccc(N)nc2=O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 299814712 STPFNZPGQPDBNI-SNJCGAMXSA-N 586.011 6.526 50 1 KKGF O=C1c2c3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc2O[C@@](CBr)(c2ccc4ccc5cccc6ccc2c4c56)[C@H]1[C@@H](c1ccc(O)cc1)O3 587281468 BECOSSYXYSONPB-VDTMIUDJSA-N 739.571 5.084 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326676 MKIPGPLVIVEGGP-GJZUVCINSA-N 515.921 5.061 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(OCc3ccccc3)c3nc(O)ccc13)O2 587370304 AFUJQAWAMBKQAG-HHHXNRCGSA-N 519.395 5.666 50 1 KKGF CC(C)(C)OC(=O)N1CCC([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587538511 PIBWONDQASKRAQ-NBGIEHNGSA-N 518.404 5.135 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544219 MQRBKWXPWRFWDY-DPEAOZQYSA-N 733.641 7.406 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)C1 587569472 LNODSRSLYUYSCB-KZSWJVHCSA-N 668.568 7.402 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614936 VWDYMDFYYPXCJV-WTNLLYQRSA-N 576.199 7.490 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 587673202 LJIYDZOVDSHDFE-JBEBIEQOSA-N 566.696 6.401 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)[C@@H](C)Cl)cc12 587686536 CYHJQEAFHKGMGF-YFONVMMFSA-N 527.821 5.525 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 587710945 HYQLOFMZKVJOLZ-WNWIJWBNSA-N 517.105 6.058 50 1 KKGF CC(=O)O[C@H]1CC[C@](C)(Cl)[C@]23OC(C)(C)[C@H]([C@H](OC(=O)/C=C/c4ccccc4)[C@H](OC(=O)c4ccccc4)[C@]12C)[C@H]3Cl 653740468 RJMQFJLCVAAIFH-ZGIPRAPUSA-N 615.550 6.351 50 1 KKGF Cc1ccc(S(=O)(=O)C[C@@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962715300 PMOCDGVZGOANOA-WNOXWKSXSA-N 708.227 6.020 50 1 KKGF CC1(C)CC2=C([C@H](c3c[nH]c4ccccc34)C(C#N)=C(N)O2)[C@@]2(C1)N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962770811 UBIGSAOLFRZWAP-AQGBOPFGSA-N 532.566 5.591 50 1 KKGF CC(=O)Oc1ccccc1[C@@]1(CCCCCl)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963066103 GSMZYGGJIWFRSW-WBXFWKJNSA-N 585.097 5.743 50 1 KKGF CCS/C(NC12CC3CC(CC(C3)C1)C2)=C(\C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 1911571827 AFNKMPXJHBIRTO-WNAAXNPUSA-N 555.726 5.077 50 1 KKGF COc1ccc(S(=O)(=O)Oc2ccccc2/C=C(\C#N)C(=O)Nc2nnc(Cc3cccc4ccccc34)s2)cc1 1911584885 UJHQTVMPDIFSQV-HAVVHWLPSA-N 582.663 5.604 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356292528 RPHSRSJIAAZSJX-GNVSTDMWSA-N 957.361 9.811 50 1 KKGF NCC[C@@H]1CC[C@H](CC=CCCC2CCCCC2)[C@@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356310693 CWIGBLWUGFSPLI-KOILXBFDSA-N 652.023 9.625 50 1 KKGF CCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1 2356334666 LJLORIMRLLORHA-KOCKTLMXSA-N 647.765 8.571 50 1 KKGF C[C@H](O)CCC[C@@H]1[C@H]2C=C[C@@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356358117 XCWPIXUKSOQAFN-KHJZMCIRSA-N 914.203 8.484 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@@H](c2ccccc2)CC[C@]32C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356366602 MSJXOGJMFUVSRA-QYOPBBMZSA-N 951.353 10.317 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@@]78CCC[C@@H]7C=C[C@@H](C8)C67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356448522 GDFJTQKFFFLGFW-SDRJXZPXSA-N 988.371 6.524 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C[C@@H]1CC2(CC(=O)O1)SCCCS2)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356700907 LIZAXEADJBBAQL-LOYCUKJKSA-N 893.558 16.536 50 1 KKGF CN[C@@H]1CSSC[C@H]2C[C@@H]3CC[C@@H]4CC[C@]5([C@H]6O[C@H]7[C@@H](C(=O)Oc8c(CO)[nH]c9ccc%10cc%11ccccc%11cc%10c89)O[C@@]8(O)[C@@H](O)CC[C@@H]([C@H]6C[C@@H]1[C@H]5O)[C@]78O)[C@@]34c1ccc(O)cc12 2356773811 JIAJSTRUGRLNPQ-RFPHESFTSA-N 921.147 6.146 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@]35C 2356778410 UNVLLHPALOESCX-KJCBXCTLSA-N 848.181 7.165 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@]2(N3C=CNC3)CCC3(CCCC3)C2)SSC1 2356838481 MAHHRVBQLBLBSG-UYYSXFFCSA-N 702.987 8.275 50 1 KKGF C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@@H]1CC[C@@H]2/C(=C/[C@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@@]21C 43323443 PZXHPUCNJAGWRH-MTGLCFFPSA-N 540.585 6.963 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 43648939 JJQGOUALJFARBW-XVBJYKFMSA-N 539.883 6.116 50 1 KKGF C=CCCCC[C@@H](C)CCCCCC#CCC[C@@H](OC)C(=O)OC(=O)[C@@H](CCC#CCCCCC[C@@H](C)CCCCC=C)OC 44307382 VOGBKCAANIAXCI-OQYJSAOUSA-N 626.963 10.319 50 1 KKGF COc1cc(/C=N/NC(=O)c2ccc(C(F)(F)F)nc2Nc2ccccc2Cl)cc(OC)c1OC 45392665 MTKBEGAWFKGZKQ-KVSWJAHQSA-N 508.884 5.287 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CCl)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CC1CCCC1 49942761 LWIVIURBFBSLCF-WVLAUNTOSA-N 734.500 7.438 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 85627263 XMXSOSPFFYSUEX-AHLJBHITSA-N 797.101 6.037 50 1 KKGF biogenic,in-vitro O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCCC[P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1 103239180 KDNRMXVGYZRNEL-UHFFFAOYSA-O 624.742 9.815 50 1 KKGF CC1(CCC(=O)Nc2ccc(NC(=O)CCC3(C)OOC4(CCCCC4)OO3)cc2)OOC2(CCCCC2)OO1 103239200 XZLZRWGYUQUJKH-UHFFFAOYSA-N 564.632 5.697 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 169355520 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Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 587330802 PBCFRSAHUYRFMM-XTEPFMGCSA-N 543.944 7.451 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587690136 ZKHHSWXCBRNFBE-PWECECGKSA-N 519.842 5.799 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@H](c2ccc(CBr)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962399831 DTFUQVVEEKXEHT-WDYNHAJCSA-N 587.445 6.465 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](c2ccccc2)([C@@H](Cl)S(=O)(=O)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962400827 HFJQPUMPGQAXPZ-JGNAJVFASA-N 665.167 6.624 50 1 KKGF COc1cc([C@@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(O)cc1Br 962406418 RZYOIFLOUVRXRJ-DICHSLLOSA-N 649.925 6.301 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962715352 RMVFSETVDYWTHM-QMRWLBEOSA-N 779.868 8.268 50 1 KKGF C[C@H](Br)[C@]1(C2CCOCC2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963188016 MNOPNXMYCFHCLV-ZKUMYENDSA-N 580.475 5.945 50 1 KKGF C=CCN/C(SC[C@]1(C)c2cc(O)ccc2C[C@@H](C(=O)OC)N1C(=O)OCC1c2ccccc2-c2ccccc21)=C(\C#N)C(=O)c1nn(-c2ccccc2)c2c1CCc1ccccc1-2 963352212 KXAYIVRIBLOCIE-AMYXYESHSA-N 868.028 9.034 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](SC#N)C(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857544541 JFYNOFYPYIDYHJ-VBBCEJGHSA-N 511.772 7.490 50 1 KKGF CC(C)[C@H](NC(=O)[C@@H]1C[C@@H](SCCc2ccccc2)CN1C(=O)[C@@H](CC1CCCCC1)NC(=O)c1ccc2ccccc2c1)B(O)O 1857582353 FILFQYDYYNPYRQ-WZJLIZBTSA-N 657.686 5.007 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]15CCCC[C@@H]1C[C@H]([C@H](CO)OC)CC[C@@H]5C#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@@H](C3)[C@H](O)O4)CC[C@@H](O)CC(=O)CC2 2356350813 KCAIHYPAVIUMHA-FCQSHWNJSA-N 959.285 5.877 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CC1=O)C[C@H](NC(=N)N)CSSC[C@H](CCc1ccccc1)CCCC[C@H](O)C[C@@H](OC(C)=O)CC2 2356366041 YKXOFUONUUOPER-GUOYRZJRSA-N 714.995 5.811 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)c6cc[nH]c(=N)c6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@H](OCCO)CCCC1 2356395139 MPEHMOXGUKZGAH-MDFNNMSJSA-N 818.115 6.491 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5[C@@H]6CC[C@@](CO)(C[C@H]61)[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356484710 FFBFKAQLRMGQCQ-VAEABCJGSA-N 601.923 5.974 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@@]2(CCCC[C@@H]2CSS[C@H]6O)C1=O)[C@]54C 2356584961 YKPHVUHOMZUJFF-GTFLODHKSA-N 890.218 6.873 50 1 KKGF CNC[C@@H]1C[C@H]2CC[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCC4=C(N)N[C@H](Cn5cc6cc[nH]c6c5)C=C4[C@H]4C=C(C=C(N)N4)CC[C@H]4O[C@@]24C(=O)O[C@@H]13 2356843035 NBCAKURIMWVVET-JUJOHUICSA-N 894.133 5.672 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356875047 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1857612263 GPBYBSSNSBNZBC-YDGLFLNXSA-N 600.459 5.541 50 1 KKGF C=C1C=CC(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@H]([C@@H](C)CCCCCC)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1 1857744241 QSEMYQVVFCUPPF-HVXOQAOISA-N 732.051 5.933 50 1 KKGF CCn1cc(C(=O)N/N=C(\C)c2ccc(F)cc2)c2cc(-c3nc(CN4CCC(O)CC4)cs3)ccc21 1911570804 PUDBATRZMXMRDD-FDAWAROLSA-N 519.646 5.035 50 1 KKGF CCC[C@@H]1[C@H]2C=C[C@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356317735 OQKBXJAYKUBWLJ-JMHFGWKJSA-N 870.150 8.733 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CI)[C@H]3CC[C@@]21C 2356342519 FIOAEFCJGZJUPW-FVLSFGQRSA-N 512.560 7.804 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@@H](O)[C@H]64)[C@]12O 2356372104 YEIBNZRHVJUJEO-PVNBKSCQSA-N 974.432 8.745 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356448077 OEZVCEWREBWGBB-RLDXTFQMSA-N 993.434 11.612 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5Cc6c(c(OC)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O 2356553200 RGVODVDAAJLWFE-LMLXBGLWSA-N 652.831 7.232 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@H](C2CCCC2)Cc2cccc(c2)C1 2356747984 KTJDIHVSYFNWSZ-OCKUHKDVSA-N 769.080 6.054 50 1 KKGF CNC[C@@H]1C[C@H]2CC[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(CN5C=C6N=CC=C6C5)[nH]c4=N)-c4cc(cc(N)n4)CC[C@@H]4O[C@]42C(=O)O[C@@H]13 2356834398 KMUYBPONCQKJTA-YACROFJLSA-N 890.101 6.394 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(C)C(=O)O[C@H]1C3 2356835893 KVGFOFZVYGPUBL-FONAMCPPSA-N 780.929 5.607 50 1 KKGF COc1ccc(S(=O)(=O)n2c3c(c4ccccc42)[C@@H]2[C@@H](CCCN2C(=O)C[S@@](=O)c2ccc(C)cc2)[C@H](Cl)C3)cc1 5542013 FUFMXEHZPUASGK-LDGQRFOESA-N 611.185 5.446 50 1 KKGF Cc1cc(C)c(Nc2nc(NCCCNc3nc(Nc4ccc(C#N)cc4)nc(Nc4c(C)cc(/C=C/C#N)cc4C)n3)nc(Nc3ccc(C#N)cc3)n2)c(C)c1 95563055 XJDYEVCZSZERAQ-SOFGYWHQSA-N 767.906 8.767 50 1 KKGF CN[C@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@H](SSCCC[C@H]3O)[C@H]4O)C=C[C@@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 150343694 WPWYHEJIOKBNTR-ABLYTEFOSA-N 990.300 11.021 50 1 KKGF biogenic,in-vitro CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc5c7c(ccc(c67)[C@@H](SSCCC[C@@H]3O)[C@@H]4O)CC[C@H]5CCO)cc(CC(C)C)c(O)c2Cc2cccc1c2 150343697 HQCMZMKTBYFERE-OQBWQZBVSA-N 992.316 10.940 50 1 KKGF biogenic,in-vitro CC(=O)c1cc(Br)cc2c1N(C(=O)CBr)c1ccc(Br)cc1C=C2 238736150 HJQQBVHENKDYOO-UHFFFAOYSA-N 514.011 5.958 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC[S@@](=O)CC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299845141 DKJUGBNRMHLOHT-LZNQDGBJSA-N 638.864 6.016 50 1 KKGF C[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587128608 CHWWZWFMYXOIOU-SCSAIBSYSA-N 551.660 8.317 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc([N+](=O)[O-])cc2)([C@@H](Cl)C(=O)Nc2ccccc2)[C@@H]1c1ccc(F)cc1 587323491 KONWRNMMIAOQJX-WBJKNQCFSA-N 546.938 5.940 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc([N+](=O)[O-])cc1Br 587538602 PXUUJLBONNQKCU-NQIIRXRSSA-N 535.144 5.315 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 587724029 YXLXISHRZJBGRH-HUTHGQBESA-N 531.569 6.313 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587847785 HIJFDJYNPHDZSO-JRPXNJEYSA-N 532.437 6.587 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@H]1c1cc(S(F)(F)(F)(F)F)ccc1F 962041846 FWSJRXGVJBNPNQ-SDHOMARFSA-N 601.569 5.264 50 1 KKGF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@]2(CCCCCCl)c1cccc(I)c1 962703165 HVWBCOJHXNAYMY-RDPSFJRHSA-N 543.917 6.837 50 1 KKGF Cc1cccc(-n2cc([C@@]3(CCl)N[C@H](C(=O)Nc4ccc5[nH]c6ccccc6c(=O)c5c4)Cc4ccccc43)nn2)c1 963005980 ADIVJVOCIAGBSY-ZQAZVOLISA-N 575.072 5.206 50 1 KKGF C[C@@]1(c2cccc(N=C=O)c2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963193446 KCFVUKBKPBZQGP-JTSJOTPCSA-N 520.541 5.771 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2cccc([N+](=O)[O-])c2F)N1C(=O)c1ccccc1 963413302 GBWLLOFAXSNFJU-LVXARBLLSA-N 552.356 5.005 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)([C@H](C#N)c1ccccc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963797129 XYMYDCNDEFIQNO-WVXBCFDCSA-N 572.459 5.350 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)CCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1772615858 WGDIXEHSWUWCOM-WSCRQYPJSA-N 788.130 11.713 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](/C=C/C3=CCOC3=O)[C@@]3(CC[C@@H]2[C@]1(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)CO3 1857754056 CYFYXBRVNZHPTO-KHUUYZIDSA-N 628.882 6.136 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)c6cc[nH]c(=N)c6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@H]2[C@H](O)CCCC1 2356295259 YDUPMVHTHJNNBW-ZUZGRLBKSA-N 774.062 6.474 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc6cc(ccn6)CC3=C4C(=O)O5)[C@H]21 2356296003 ZPSKDXFFIMYPAW-GMYRGYBSSA-N 649.879 6.422 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C4C[C@H](CCC(C)C)[C@@H](CN[C@H]5CC[C@H](C)CCC[C@H](O)[C@@](O1)([C@H]4SSC5)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@@H]4[C@@]3(O)[C@@H]1O)O2 2356362836 FJCPOCJRZUXAEG-ZRXYMPQASA-N 914.193 5.597 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356369137 CMARFXFYMOGBLM-HAPHQYKNSA-N 780.059 6.032 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356743856 IAUADLMEROEUCM-PHYDUANHSA-N 776.116 5.539 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSSCNC9=C%10CC[C@@H]2[C@@]1(C%10=C3CN9)[C@H]4[C@@](O)([C@@H]6O)[C@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@H]7C8=O 2356814049 BXCCCFHRDSTXSU-RFZALYSKSA-N 963.184 5.219 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4ccc([N+](=O)[O-])cc43)cc2c1)c1cc2ccccc2o1 5923947 BTDMGFMUVHUHJK-QGZVFWFLSA-N 514.925 6.057 50 1 KKGF C[C@H]1CC(C)(C)N[C@H](C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 14243556 GMWDETSLGDDKSS-NNWRFLSQSA-N 577.361 6.305 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 43648942 JJQGOUALJFARBW-KXFQXVLOSA-N 539.883 6.116 50 1 KKGF O=C(NNC(=O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1)c1ccccc1 58506682 LEWJJSQOIKAEQY-UHFFFAOYSA-N 618.285 5.653 50 1 KKGF CCO[C@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(\C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 70454455 IKFKEJSONUWRCD-KPNWOUJFSA-N 590.713 5.722 50 1 KKGF biogenic,in-vitro Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C(C)C)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(C)C(=O)O[C@@H]1C3 85593924 JLVBMOCDSQCHLZ-XSKHDXJTSA-N 704.871 6.233 50 1 KKGF biogenic,in-vitro O=C(c1ccc(C[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1)c1ccc(C[P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 95551547 XVQUQXWSFOWTLV-UHFFFAOYSA-N 760.898 11.655 50 1 KKGF CNC[C@H]1C[C@H]2CC[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(C[N+]5=CC6=CC=NC6=C5)nc4N)-c4cc(cc(N)n4)CC[C@H]4O[C@@]24C(=O)O[C@H]13 150345614 ZOPWFBWUEINXIS-KJEALIIMSA-O 889.093 6.345 50 1 KKGF biogenic,in-vitro COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)[C@H]2c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1 169721431 RVZXDTKQBCOHBU-LHKBXQEOSA-N 646.609 5.142 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@H](c1ccco1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195181698 QHPKUAWSKSIHPM-BHBYDHKZSA-N 561.880 10.464 50 1 KKGF CSc1ccc(S(=O)(=O)NCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1[N+](=O)[O-] 586940707 CVCHXFPQHXBINO-UHFFFAOYSA-N 583.380 6.091 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](Br)[C@@H](Br)c1ccc(F)cc1)O2 587385901 WBLVIWOTQZVYSS-XWGVYQGASA-N 551.225 6.616 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)CC2=O 587490282 FTSGVMOLJFQTPE-VWLOTQADSA-N 536.488 5.165 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587551243 YYCJAZCVBOCKHE-SQHAQQRYSA-N 562.371 7.568 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614934 VWDYMDFYYPXCJV-QYDYLWNGSA-N 576.199 7.490 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1ccc(F)cc1C(F)(F)F 961774482 GXJIKVGRJHLNEX-DEOSSOPVSA-N 543.399 6.634 50 1 KKGF Cc1c([C@]2(CBr)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cnn1-c1ccccc1 963036458 JNFDKEWTWHKADT-ILFWFZRHSA-N 684.537 7.358 50 1 KKGF Cc1cc(C)c2cc(/C=C(/C#N)[C@]3(C(C)(C)C)c4[nH]c5ccccc5c4C[C@@H]([C@@H](O)CC(=O)O)N3C(=O)OC(C)(C)C)c(=O)oc2c1 963068677 SBBFSFSONIJQTR-VJNOEIQXSA-N 639.749 6.737 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(c2ccc(N3CCCC3=O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079292 JPBYIQJBEBYEAF-CHGHPAACSA-N 837.660 8.408 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCCCCCl)(c2ccc(Cl)c(Cl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085373 ZJVUYVBJQMDCRH-DQMMNQMOSA-N 835.117 10.993 50 1 KKGF Fc1cc(Br)c(Cl)cc1[C@@]1(CBr)NCCc2c(Cl)cc(Cl)cc21 963117033 CBVZNXUMQRPRRR-INIZCTEOSA-N 502.436 6.333 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3cccc(C(N)=O)c3)CC2)nc2ccsc12 1772584281 DKFABCPZJXASIY-GQCTYLIASA-N 538.677 5.813 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCCC[P+](c6ccccc6)(c6ccccc6)c6ccccc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1772613603 CWFCNHXSUUISIJ-VWJQTLPRSA-N 816.140 11.893 50 1 KKGF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)N/N=C(/C)CC(c2ccccc2)c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 1772652302 HLLDJANKOZVLOY-HVAMYGNZSA-N 597.672 5.603 50 1 KKGF CCCCCC[C@H](C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1)OC(=O)N(CCCl)CCCl 1857533672 PHMVJSWULBLUSV-GUBOEOQUSA-N 835.139 14.872 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857637348 HVEMXAGNWZKCPE-LWCHGPQXSA-N 539.595 5.063 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356299851 HWIKXIWVLZCKPQ-ZEACJORYSA-N 939.302 8.500 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)CC[C@H]3SSC[C@@](C)(O)CNCOc4c(OCO)ccc(c43)C2)ccc(O)c1OC 2356357990 WIIXGSGMSBRKDZ-GQJXANSNSA-N 976.271 8.598 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(CCO)C6)[C@H]4[C@H]2O)O3)c1O 2356374551 YZTMDSAWMHFVOR-DRLYPIRSSA-N 927.238 8.525 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@H](C)N[C@@H](O)C2=C[C@H]1CCC2 2356721335 AYRRJTYHHGZBLF-KNSVPHGTSA-N 741.026 5.273 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@@H](O)C5 2356727705 PGBGECXYHSPSPK-BSCNBKIUSA-N 878.251 8.169 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1ccccc1 2356737279 HYSDATPFPIBJQV-ZAVCSTHCSA-N 581.892 6.522 50 1 KKGF C[C@H](O)CNC[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCCC[C@@H]5CSSCc6c(CO)ccc7c6C=C[C@@H](C[C@@H]5N)[C@@H]7O)o4)ccc3O)[nH]c2CC[C@H]2CCC[C@H]12 2356767710 FYXKOSZWFUYYOW-ICWHKKIQSA-N 930.287 8.320 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCC6(O)CCCCC6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356779609 BVVWXPAYTNCMMK-SEVCSSDOSA-N 970.345 8.230 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CCCC[C@@]4(C#C[C@@H]3C=C12)C[C@H](c1ccccc1)CC[C@@H]4CO 2356851434 QHMVKCWAAALCIW-RBBSHEIBSA-N 994.374 7.888 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@H](Cn1ccnc1)C1=CC2=CN[C@H]1N 2356862092 UWUPVSIDSSOCIC-AINNGDLVSA-N 592.787 5.129 50 1 KKGF Cc1cccc2c(Nc3ccc(OCCN(CCCl)CCCl)cc3)c3cccc(C(=O)NCCN(C)C)c3nc12 28371313 NAPDSKSTWQOVQC-UHFFFAOYSA-N 582.576 5.890 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53243480 MRYUZZQNQYRSQV-FGZHOGPDSA-N 507.775 5.684 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Cl)cc1)C(N)=C(C#N)[C@H]2c1cc2ccccc2nc1Cl 84706586 ZKXUPSOXZRNNEE-HSZRJFAPSA-N 504.421 6.305 50 1 KKGF O=C1OC(=O)C(c2cc(Br)c(O)c(Br)c2)=C1c1cc(Br)c(O)c(Br)c1 85807903 BAQPAGXIZNWNKX-UHFFFAOYSA-N 597.835 5.142 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/C=C/c1ccccc1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 102960221 MWKFVBNQTQDCFH-PDQKOWSQSA-N 531.468 7.136 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCC#Cc3ccc(-c4ccc(C#CCCO[C@@H]5O[C@@H]6O[C@@]7(C)CC[C@H]8[C@H](C)CC[C@@H]([C@H]5C)[C@]86OO7)cc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309825 VWWQPXXNIDRWSM-MHYJIQRXSA-N 823.036 9.286 50 1 KKGF Cc1cn([C@@H]2C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CNC(=O)C[C@@]3(C)C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O 169998867 XKPREZASYVOYQM-ABVHUVBYSA-N 835.204 6.374 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cc(I)c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195497579 JEVRXFJEOXKKDH-CUDBPUKSSA-N 712.891 6.841 50 1 KKGF C[C@@H]1O[C@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@H](NCc2ccccc2)[C@@H]1O 253737763 OLQRKMUWNZXFCQ-MEORXALKSA-N 545.595 5.566 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057096 UFSCMRXHPILPPO-XMHGGMMESA-N 594.424 8.613 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(OC(=O)Cc3ccc(CBr)cc3)c2c1 587616706 FRQZZARXBVVBPQ-UHFFFAOYSA-N 650.507 6.596 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587674515 XJIMGPGGFWSDPY-CWTRNNRKSA-N 520.078 6.140 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587688686 NDCKMSAGFKBAAN-BXUPLMHSSA-N 532.837 5.874 50 1 KKGF CSC(SC)=C(C#N)[C@]1(c2cccc(C(F)(F)F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587709889 CWBMNVRMGKHJIU-QKVFXAPYSA-N 531.438 6.846 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Br)[C@H](Br)c2ccc(F)cc2)N1 587734088 MXHHBNWEIMOAPS-QSOWHYIISA-N 618.129 7.544 50 1 KKGF O=C=Nc1c(Br)cc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587876751 LNUQHBHBCYZJSQ-UHFFFAOYSA-N 517.004 5.196 50 1 KKGF N#CC1=C(N)OC2=C(OC(CO)=C[C@]23NCCc2cc(-c4ccccc4)ccc23)[C@@H]1c1ccccc1C(F)(F)F 962669839 PHMGPUQFNJZDKS-PDDLMNHVSA-N 543.545 5.339 50 1 KKGF O=C(NNc1ccccc1)c1cc([C@@]2(c3ccccc3)c3cccc(F)c3CCN2[C@H]2CCSC2)c[nH]1 962698034 CNHJKBPTMMLTDX-NGQVCNFZSA-N 512.654 5.566 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cccc3c1OCCO3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962701103 JKDXURKRKIHHQE-MHZLTWQESA-N 592.408 5.831 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccc(OC(F)(F)F)cc1)[C@@]1(CCC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962701807 HATGNIFVNUFCMN-UBHIOAQDSA-N 557.613 6.229 50 1 KKGF CC(C)C[C@]1([C@H](Br)[C@H](Br)c2ccccc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962709891 OTTPMAVVEBOJHA-NTMFSWBNSA-N 555.395 7.330 50 1 KKGF CSc1cccc(-n2c(C)cc([C@]3(CCl)c4ccccc4C[C@@H](C(=O)O)N3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)c1 963092111 JXMVUWAKZAZHJM-VYQNARHWSA-N 683.317 9.602 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)([C@@]1(OC(=O)c3ccco3)[C@H](C)C[C@@H]3[C@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]31C)N(C(=O)c1ccccc1N)CC2 963137149 HZDYOZAYWQKRSK-ZVGBWGSASA-N 803.780 7.494 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2ccc(I)cc2)N1 963169147 HGRCDSQNDZAXPF-NVXWUHKLSA-N 574.562 5.201 50 1 KKGF COc1ccc([C@@]2(C(Br)Br)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963225808 BHLCNPFXDSERGI-XDCSYDRFSA-N 813.408 6.846 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CCl)(c2ccc(O)cc2O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963230284 XIAYOJPLSKDWKE-UKJJDJLKSA-N 662.007 5.363 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)([C@@H](C#N)c2ccccc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948535 VGAFFXZUYLPWBF-JVUMNHSCSA-N 697.721 5.721 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356356552 LIYNRKCILWEWFK-HYHSBVICSA-N 886.227 7.698 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(cc3c(c2OC)[C@@H]2CCC[C@](C)(O)[C@@H]2O3)O1 2356371372 YITVPYFPTNOIAE-REVUWRHRSA-N 597.664 5.655 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356489914 OLPXHXZFOGUKCQ-MHKUOEJISA-N 918.225 5.847 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OCCCO)C3)c2O)C12CCCC2 2356524273 XLBOVVXSJWIJAT-MISROHISSA-N 911.285 8.854 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCCBr)CCCC[C@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356549580 ABRCNJSDUYUPRX-JOHKGXJESA-N 706.759 10.122 50 1 KKGF CCCCCC[C@@H]1Cc2cc(O)c3c(C)c2[C@H](O1)[C@@H]1[C@H](OC)C=C(COC(C)=O)[C@@H]2CC(C)(C)[C@]2(O)[C@H](O)C[C@@]1(C)OOC3=O 2356555063 HOCDVFMNFJTYFE-GMXLNABQSA-N 630.775 5.177 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356716055 ANJXDKKSXVEUDY-BXHPJBEQSA-N 819.140 6.885 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356855351 RCMGBONMARBAHD-JGPXMDISSA-N 881.263 8.058 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H](C7CCCCC7)CSSCNC7=CC(=CCN7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356872977 ZCIMKMCQXIYIOQ-IGZIBQONSA-N 701.011 9.157 50 1 KKGF Clc1ccc2c(NCCNC3CCC4(CC3)OO[C@@]3(c5ccccc5)CC(c5ccccc5)=C[C@H]3O4)ccnc2c1 14140317 HDZDLBNQQBBREK-SVBOSXHUSA-N 568.117 7.258 50 1 KKGF Cc1c(C(=O)NNCc2nc3ccccc3n2Cc2ccccc2Cl)sc(C(=O)NNCc2nc3ccccc3n2Cc2ccccc2Cl)c1C 95563812 YAXFGEIEAFJIHI-UHFFFAOYSA-N 737.717 7.337 50 1 KKGF C[C@H]1CC[C@@H]2[C@H](C)[C@H](O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@@]4(C)CC[C@H]1[C@@]32OO4 101666785 DFPBBOCDGYBNBR-DCXPMUQESA-N 550.689 5.419 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586894 MOJBOJSSQKFLBQ-TWJUONSBSA-N 775.874 9.393 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 169363390 GXXCHGXPDJFXGQ-CPXVFXRPSA-N 557.171 7.613 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 587000219 HJDMJEKOZKAUBK-UHFFFAOYSA-N 558.164 8.478 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587323743 SVJACDDGYINYOI-DHLKQENFSA-N 530.346 5.660 50 1 KKGF O=C(CCl)NCc1cc([C@@]2(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1O 587330026 ZVJIEAZCOMEEJF-MFMCTBQISA-N 531.967 5.395 50 1 KKGF CCOC(=O)O[C@]1(C(=O)OCCl)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587686675 XCXNSYZFDPGXAD-ALVQDHFISA-N 681.039 6.679 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1 587843451 ZOGJRNSCYBKOMB-SOKVYYICSA-N 610.977 5.033 50 1 KKGF CC(C)N1CCN(CCNC2CCN(c3cccc(-c4cc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)c3)CC2)CC1 618009375 OADNVJNKRKBCTO-UHFFFAOYSA-N 571.704 7.077 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CBr)(c2ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc2)N1 962702671 SEPGHQRHBXPRIN-SZMVWBNQSA-N 614.230 5.886 50 1 KKGF CN1C(=O)C[C@@H]2CN[C@@](CCl)(c3ccc(Cc4ncc(C(F)(F)F)cc4Cl)s3)c3cccc1c32 963018855 CUKHPOBTLJKVPC-JCQPUDPBSA-N 526.411 5.942 50 1 KKGF N#Cc1cnn2c(Nc3cccc(N(CCCl)CCCl)c3)cc(CN3CCC(c4ccccc4)CC3)nc12 1772600943 UVOFYOANIQSHDD-UHFFFAOYSA-N 548.522 6.008 50 1 KKGF C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@H]([C@@H](C)CCCCCC)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1 1772635728 QSEMYQVVFCUPPF-QNAICYQXSA-N 732.051 5.933 50 1 KKGF CCCCCCC[C@@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772637463 XYNWKOXRMZVNTQ-WENCGJSDSA-N 661.792 8.962 50 1 KKGF CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Cl)c2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1 1772652432 PHZNEXIQOLYTSB-XMMPIXPASA-N 600.576 5.704 50 1 KKGF O=C(Nc1cccnc1Cl)c1cc(N(Cc2cccc(Oc3ccccc3)c2)C(=O)CCl)cc(C(F)(F)F)c1 1857768242 AHYUREWYLFQXGH-UHFFFAOYSA-N 574.386 7.570 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2 2356301898 ZYQOSEYXSANDRZ-LTAPRUKKSA-N 968.295 9.786 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@@]2(O)CCNC)CCC=C(C)C 2356351006 NWZYHZAJIPSIEC-JBMFNPTGSA-N 579.822 5.116 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356359312 HXMYCSKLWXBQRV-LKOMUOMMSA-N 783.154 7.457 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356375666 HXDBAEKDDTZJNV-MIIQNHKCSA-N 825.235 8.625 50 1 KKGF CC(C)Cc1cccc([C@@H]2C=C[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@H]24)c1 2356470713 DUOQAXQZZWOCAC-OUQPDEFWSA-N 678.021 6.885 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356498156 KRDDSXQIPROAQA-ZEVLJNEDSA-N 909.262 7.233 50 1 KKGF CN[C@@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cc(O)cc(C2(NC)CCCC2)c1 2356780183 ODKHFZHQIQVDQW-QQLMSYFVSA-N 730.993 8.881 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC5=C(CN4)[C@H]4C[C@@H]6C[C@@]7(CO)O[C@@H](O3)[C@H](O)[C@@](O)([C@@H]7O)[C@H]6[C@]53CC5(CCCC5)C[C@H]3C4)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356827109 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5.861 50 1 KKGF O=S(=O)(NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(F)c(F)c1F 587134944 XKDMEQFUWVPRQE-UHFFFAOYSA-N 546.259 5.879 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCc1ccccc1 587226282 WHWVETVQRJMOGY-KYJUHHDHSA-N 701.718 7.102 50 1 KKGF NNC(=O)c1ccc2nc(C3(NC(=O)OCC4c5ccccc5-c5ccccc54)CCCCCCC3)[nH]c2c1 587236451 LOSDLKUIHAENKB-UHFFFAOYSA-N 523.637 5.645 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587376135 OUEFHGGNNVVXTO-LHHUKBANSA-N 592.217 8.027 50 1 KKGF COc1cc2c3c(c1)O[C@@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)C[C@H](CCl)[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587423625 UXXZUEHGFSIWRF-STNOVMBHSA-N 613.578 6.843 50 1 KKGF CCC(=O)OC[C@@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587427937 LZNWPGUFAAWQLM-UHVTYHEISA-N 685.185 5.272 50 1 KKGF Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534155 BCYQHWSLRLVZHN-SSEXGKCCSA-N 520.094 6.900 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCc1ccccc1 587545397 RKUQMSVTIPAWIS-SWFBWHSRSA-N 544.003 5.869 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 587671892 BFSNWVQTWKJSLX-XLFHBGCDSA-N 537.021 5.432 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1cccc(OC(F)(F)F)c1 618017278 LOLOYBXDQXFOMB-MOPGFXCFSA-N 626.550 5.513 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2cc(F)cc(F)c2Br)N1C(=O)c1ccc(Cl)cc1 963019707 YOJNVQSWWITHLC-HFZDXXHNSA-N 638.690 6.652 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCCl)(c1ccc(F)c(F)c1)N(C(=O)c1ccccc1N)CC2 963145750 VLIYRYDGZGXKEG-MUUNZHRXSA-N 515.000 5.915 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](CBr)(c2c(C(F)(F)F)ccc(Br)c2F)N1 963176003 HJGTUGYGOBRKNB-GUYCJALGSA-N 613.549 6.517 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1ccc(C)c(C)c1 963841478 PKLVBVLOQAGMAM-QFQXNSOFSA-N 502.449 5.887 50 1 KKGF C=C1CC[C@H]2[C@@](C)(C(=O)OCCCCCCBr)CCC[C@]2(C)[C@H]1CCc1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1 1857769715 OZLJAUBVDPYZKC-BNTZXNHQSA-N 655.670 8.900 50 1 KKGF C[C@@H]1O[C@H](C=C=CBr)C=C[C@H](Cl)CC2=C(Br)C[C@H](Br)[C@H]1O2 2356617275 WWWLGURLJAZMJB-AKVWBXLASA-N 503.456 5.550 50 1 KKGF COC(=O)CCCCCCCC[C@@H](I)CCCCCCOC(=O)CCCCCCCC[C@H](I)CCCCCCI 2356626238 PRINCSJYZDAODI-IOWSJCHKSA-N 902.559 11.887 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@]21O 2356642737 SDTYTGWVHDTFPD-QLEDBAOLSA-N 857.280 9.821 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc4c3[C@H](NC[C@H](C)O)C(=O)N[C@@H]4N)=C3CC[C@](C)(O)[C@@]2([C@H]3CCCO)[C@H]1O)CCC=C(C)C 2356771398 WUUGEGBQXCYDHI-OFDHXUFDSA-N 824.163 5.673 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@H]([C@H](C)Cc4ccccc4)C[C@H](NC[C@@H](C)O)CC[C@H]3O)C=C12 2356851693 QIRCMVNKDYLZRE-VTQBNHMRSA-N 967.352 6.753 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356862880 UOFVMAIMAPWBSH-LCECLXNNSA-N 909.228 7.995 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@H]2[C@@H]1C)N43 2356867168 VSEGMRYTBUTWKF-LGUUSUDGSA-N 732.065 9.209 50 1 KKGF CCCCSSN(C(=O)c1ccc2c(c1C)O[C@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103219599 LMQLUCPCICWIKC-HXUWFJFHSA-N 514.757 7.330 50 1 KKGF COc1cccc2c1cc([N+](=O)[O-])c1c(C(=O)O[C@H]3/C=C(\C=O)CC/C=C(/C)CC/C=C(\C)C3)cc3c(c12)OCO3 169291406 CNCKKGCRDGSHDH-DZBZSGNUSA-N 557.599 7.146 50 1 KKGF C[C@@H](/C=C/c1ccc(C(=O)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)s1)CO[Si](C)(C)C(C)(C)C 195355650 SRGPNGMDZCBGEO-ZLQXRBMWSA-N 507.769 5.935 50 1 KKGF CCCCCCC/C=C/[C@@H](CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OCC[N+](C)(C)C)OO 223073568 PZGLXPVJRAJRPD-OCBGHMONSA-O 793.097 11.268 50 1 KKGF in-vitro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r)C(=O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299806007 OBZVIZJCEUAGPL-RTEGYXPWSA-N 621.697 7.773 50 1 KKGF CCN(CC)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)sc2c1 299863459 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6.928 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]12C(C#N)=COc1cc(Cl)ccc12 962991534 KLWNLYQCUKSKMG-LJAQVGFWSA-N 549.410 5.712 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(/C(C#N)=C/C=C\c1ccc(OC)cc1)C(C)(C)C 962991953 WCGCUSYNVAFPLU-RQAKGFPRSA-N 613.154 7.428 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@](CCl)(c2ccc(F)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963043515 TYQBZJLDPJJWEN-QLWXXVCSSA-N 595.976 6.986 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@]12C(=O)N(Cc1cnnn1-c1ccc([N+](=O)[O-])cc1)c1ccccc12 1772573640 CPARMFFNVYTQLY-PSXMRANNSA-N 643.623 5.344 50 1 KKGF N#Cc1ccc(/C=N/NC(=O)Nc2cc3c(Nc4ccc(F)c(Cl)c4)ncnc3cc2O[C@H]2CCOC2)cc1 1772596662 DHINMAJNTSQIGL-RNCGNXKFSA-N 545.962 5.361 50 1 KKGF Cc1cc2nc3c(nc2cc1C)[C@H]([C@@]12CCc4c([nH]c5c(C)cccc45)C1=C(C#N)C(=O)N2)c1ccccc1-3 1857762121 HRZGYHMHWMSRCU-NYFMKLKXSA-N 507.597 5.941 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@H](O)C2)C[C@H](C)O 2356292768 XMNXDYZXSWQDHW-ZLDQZCKKSA-N 934.278 9.734 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@H](C)C6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356351418 XAWNMPQKIHIXGV-QILRDYDGSA-N 860.145 5.849 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@@]2(C1=O)[C@H](CO)CCC[C@H]2CSS[C@H]5O 2356388895 XBOSHEAQHSUFSF-QARQSJGESA-N 870.184 5.535 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@H](CCCO)C(=C(C)C(=O)Cc4cccc5c4[C@H](NC[C@H](C)O)C(=O)N[C@@H]5N)CC[C@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356770722 GLRCZMGDYAPOFX-OHJICUBCSA-N 860.196 6.227 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](CCOC)(C2CCCCC2)NCC2=C[C@H]1CCC2 2356775369 MEVQWYPZSYYZCY-NAALIFRYSA-N 925.305 7.300 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356818093 DQKCUHPDTSTPCR-PHNFNBMOSA-N 917.296 7.917 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@](CC)(C#C[C@@H]3C=C12)[C@@]1(CCC[C@@H]1CNC)C4 2356876376 ZKAAFZQNHMSDLN-CYYSTJNNSA-N 927.331 7.341 50 1 KKGF COc1ccccc1CNCCCNCCCCCCCCNCCSSCCNCCCCCCCCNCCCNCc1ccccc1OC 29548152 NQRBCNRLLOZJRQ-UHFFFAOYSA-N 761.244 7.784 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3c(C#N)cccc43)cc2c1 35975198 ONBRUSLZBBCEOY-SFHVURJKSA-N 517.973 5.024 50 1 KKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@@H](Nc1cc(Cl)cc(Cl)c1)OO2 64454325 NCOVGQLGSZNJTP-GNMXIPJZSA-N 520.456 8.616 50 1 KKGF CSS/C(CCO)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCO)SSC 84757723 WUBDJAAPLQLPNE-YPAXQUSRSA-N 580.948 7.054 50 1 KKGF NCC[C@@H]1CC[C@@H](C/C=C\CCC2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 85505521 CWIGBLWUGFSPLI-NEZIAGFPSA-N 652.023 9.625 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2[C@H](OO)C(=O)[C@H]2[C@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)C1(C)C 95909181 UMLOMKCBVQTPOG-KUEUYFCRSA-N 516.763 7.323 50 1 KKGF biogenic,in-vitro COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc[nH]4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283533 BPUIHNNKUJJWCV-QXUDOOCXSA-N 560.630 5.913 50 1 KKGF C=C1CC[C@H](Br)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C=C1C(=O)c1c(O)cc(O)cc1C2=O 205075199 VBPKTZGJWVBPSM-PMEUVPMPSA-N 523.851 5.704 50 1 KKGF COc1cc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc(OC)c1OC 299839671 SZMBRKFJXGKLPZ-HHHXNRCGSA-N 570.642 6.060 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(NN=Cc4ccccc4Br)ccc3Cl)nc2c1 586976113 KYDINPRFUSWWHX-UHFFFAOYSA-N 630.662 9.512 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323600 RYTGIUPNTZZNOQ-BGWNEDDSSA-N 564.201 5.786 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@H]1c1ccc(F)cc1 587327768 HIINPKNVNMUCHH-OZXSUGGESA-N 533.905 5.472 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCC1=CCCCC1 587328045 SMUMSPPVRBPFOH-MFMCTBQISA-N 508.033 7.333 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)c(N)c(Br)c2)N1 587671778 AQNKHHHDNXGRBY-QPFGOUBPSA-N 585.935 5.868 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 587673467 NALXEOXPHYKHRF-NPMXOYFQSA-N 517.240 7.176 50 1 KKGF COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)cc1 587683447 HDPKSLKYSQNVBL-RXAIFQJESA-N 557.847 5.491 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 587687687 HFOKMENDYVECKK-QMTYFTJSSA-N 503.887 7.136 50 1 KKGF COc1ccc(Cl)cc1C#CCc1cc(OC)c(CBr)cc1OCC[C@@H](C)CCCC(C)C 587897957 BQBHADCIRUNDSX-NRFANRHFSA-N 535.950 8.078 50 1 KKGF CC[C@@H](Cl)CCn1cc([C@]2(c3cccc4ccccc34)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 962469760 AQLUFWUXLUFFNK-DBYQETENSA-N 746.307 10.149 50 1 KKGF C[C@H]1C[C@@H]2[C@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]2(C)[C@]1(O)C(=O)CCl)NCCc1cc(-c2ccccc2)ccc15 962672328 WMFLOCWNSQCPFG-VHUGDWGQSA-N 590.179 6.281 50 1 KKGF Cc1cc([C@]2(CCl)c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)c(C)n1-c1ccc(OC(F)(F)F)cc1 963147037 NSWVRNVPNFFJKT-CJFMBICVSA-N 586.032 6.178 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2cccc(Cl)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937188 CZZUXCNKSOOWTM-AXTFLGFSSA-N 648.678 5.959 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(C)s2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 1857533774 NSWSWPQSYVIFLJ-ISFWSISFSA-N 593.569 6.217 50 1 KKGF CCC[C@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@@H](Cc2cn([C@H](c3nc(C(=O)OC)co3)[C@@H](C)CC)nn2)C1 1857611721 UWYHPPTWJXOTGU-SRVLBJBBSA-N 532.802 6.838 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1C(C#N)=C(N)N(Nc2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 1911573289 NAMOOWKFTQWEHC-SSEXGKCCSA-N 653.556 7.638 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@@H]3O)cc(Cc2cccc(O)c2)c1O 2356293038 ZPOZSRMKOOJSFP-XAOOCATKSA-N 849.036 9.003 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCC4(C[C@H](O)CO)CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C1 2356301095 QZIVLNAUSJVSOP-MHCJEARPSA-N 918.235 9.099 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)([C@@H]1CCC2(CCCC2)C1)CC[C@H]3O 2356350440 CGLJFDZQEDMIOJ-NRLNQKLMSA-N 977.427 11.901 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2CC[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]12O 2356359632 PBKGCUFSKABYCW-OKTZGCDWSA-N 913.388 11.237 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O 2356366585 MGIUTZRZCXKTDY-QMPMXZRJSA-N 666.858 6.889 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@@H](O)[C@H]64)[C@@]12O 2356372102 YEIBNZRHVJUJEO-JYOBGZDWSA-N 974.432 8.745 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H](C(C)(C)O)O3)O1 2356618652 CAUIZWJMYCLJOP-HUAHKICQSA-N 699.797 5.363 50 1 KKGF C[C@@H]1CCCC[C@@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@@H]1OC(=N)O 2356657872 WRARFMLYIOUCLD-UFIHMCMHSA-N 828.680 11.014 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@](C)(O)CC=CC(C)(C)OO)CC[C@@]23C)C1(C)C 2356734889 DHINOQSEHVSVIQ-DBKNFUQWSA-N 518.779 7.569 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2ccccc2)[C@H](CC=C[C@H](O)CC2CCCCC2)CC[C@H]1CCN 2356759215 SFOTXCCFEKQWQY-XNNHBEGMSA-N 682.049 8.710 50 1 KKGF O=C(CCc1c(SSc2[nH]c3ccccc3c2CCC(=O)NCc2ccccc2)[nH]c2ccccc12)NCc1ccccc1 14944314 JIEAIEPFEUNUQF-UHFFFAOYSA-N 618.828 7.947 50 1 KKGF COC(=O)c1c(C)[nH]c2c1[C@@H]1C(=C[C@@H]2OC(=O)N2CCC(N3CCCCC3)CC2)N(C(=O)/C=C/c2ccc(OC)cc2)C[C@H]1CBr 28108953 LSAHHCLHCBLVPW-RIXCVUOESA-N 695.655 5.794 50 1 KKGF CCCCC[C@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CCCCC)NC(=O)c1ccccc1 36176385 WYMWGQYFGRDOEW-HNRBIFIRSA-N 564.767 6.866 50 1 KKGF CCCCCCNC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145565 RICPLIIZZUSKEL-RTNVRIMGSA-N 574.850 7.902 50 1 KKGF COc1ccc2c(c1)CCc1ccc(OC)c(c1)Oc1ccc(cc1)[C@@H](O)[C@H](Br)c1cccc(c1)O2 49709883 JMCYYYSADNUJHJ-LOYHVIPDSA-N 547.445 7.557 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53243478 MRYUZZQNQYRSQV-VXKWHMMOSA-N 507.775 5.684 50 1 KKGF CC(C)[P+](Cc1ccc(Oc2ccc(C[P+](c3ccccc3)(c3ccccc3)C(C)C)cc2)cc1)(c1ccccc1)c1ccccc1 84690898 HVMPPMKOSDTEIT-UHFFFAOYSA-N 652.799 10.633 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@@H](O)[C@H](c1cc(OC3CCCC3)c(O)c(OC)c1O)O2)C4 85567778 ZSRPJBMLRABGBR-HRAIDIEQSA-N 680.885 8.228 50 1 KKGF biogenic,in-vitro Cc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)cc1 103185608 AVGMNEJNVJMTMG-RPWUZVMVSA-N 566.839 5.954 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc2c(cn1)CC[C@H]1CC4(CCCC4)C[C@@]21C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 150344695 IWFQDGYJVXTRRT-ZONBNSEESA-N 927.151 5.879 50 1 KKGF biogenic,in-vitro CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 150349770 GVFSXPXDOIFDAL-ZUBDPHMNSA-N 943.221 8.537 50 1 KKGF biogenic,in-vitro Cc1cc(Br)c(OCc2ccc(C(=O)N/N=C3\C[C@@H]4CCC=C34)cc2)c(Br)c1 169689479 BCNPDDGBSNFKQO-QBTWCYAOSA-N 504.222 5.925 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1C[C@H](C)C[C@@H]2[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1[C@@]2(C)C[C@@H]2C[C@@]1(C)[C@H](O)O2 195413335 GGPRBEMISXXRHE-YBPBRFILSA-N 538.962 7.973 50 1 KKGF O=C(NCc1ccccc1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccccc5)cnc34)cccc2c1 221236794 PKASMGPCAKICHF-UHFFFAOYSA-N 586.742 7.442 50 1 KKGF COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@H](Cl)CCCCCC(Cl)Cl 473082508 JBEYLLUXESVNSE-LFZUEEPGSA-N 500.935 6.281 50 1 KKGF C[C@H](c1ccc(CBr)cc1)c1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 586972780 BJMLAIVCTLVYLL-OAQYLSRUSA-N 560.540 5.652 50 1 KKGF Cc1nc([C@@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587119250 RTOUSWISKGHQFN-VIFPVBQESA-N 636.432 9.311 50 1 KKGF CC(C)[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197741 LZKRVPPVIHUNOP-CQSZACIVSA-N 508.351 7.547 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 587325881 HJSJQTQHTRZKDW-ZUKKLESISA-N 601.034 5.074 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587545983 UMGZXVJATCPNOU-CAVYSCNFSA-N 548.850 6.545 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@@]1(c2ccccc2OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587672112 XTRSFLSDBZUAHQ-WIDSHULWSA-N 577.288 6.030 50 1 KKGF COc1cc(Cl)c([C@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587673098 KGURGXNFDYQHBC-OVWNDWIMSA-N 507.625 5.432 50 1 KKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587687037 YNGPCRVJIDQJEC-DKXYIXTASA-N 516.882 7.177 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 587713895 OJGJVEPTHRGWQH-NVLSVPMKSA-N 612.440 7.975 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@@]5(C=C[C@@]43C)N[C@@H](C)Cc3ccc(F)c(Br)c35)[C@@H]2C1 587716172 IVSOWDUZGJINPX-GPABYCDXSA-N 606.979 6.854 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(Br)c2F)N1 587724055 DMVFFICLOHNXGY-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(C(C)(C)C)cc2)(c2c(NC(=O)CCl)sc3c2CC[C@@H](C)C3)N1 587854608 DDWJHVQKHGNSRE-QSDPREHASA-N 618.056 8.075 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCl)c1cc2c(cc1Cl)NC(=O)CO2 961775047 IDYTXRUSSJKENB-AREMUKBSSA-N 518.441 5.305 50 1 KKGF C[C@@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963580682 LJHCGWSPGNQEDR-AMZKZFOBSA-N 683.086 6.760 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CCl)c3ccc(Cl)cc3Cl)nc(Cl)nc21 963927516 AUNLJPCJZVYFCY-XMMPIXPASA-N 537.278 6.618 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)nc(Cl)nc21 963928824 OYCXTIXTVHXQHN-HMILPKGGSA-N 619.992 6.066 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OCCOCCOCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(Cl)Cl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857537274 BSCMSSQIXTWTBE-QMNLRFMLSA-N 945.082 11.930 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4cc(O)c(O)cc4O)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4cc(O)c(O)cc4O)cc23)cc1 1857633665 SSYDGTIDKNHOFD-CRVCDQDGSA-N 724.730 5.899 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N(C)CCN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857654452 KOYFEOCJPSTKAW-ZFIQNTLZSA-N 959.136 6.434 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@H](NC[C@H](C)O)C2)Cc2cccc(c2)C1 2356360613 JUUFJROMHPGSHV-BMMZYWAQSA-N 972.362 5.858 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@H]4C1=C1C[C@@H](CC#CO[C@H]43)CC[C@@H]51)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356407638 GUXVZIQVJOIJHX-POVWWOEZSA-N 896.277 7.584 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356433401 IPZJQKCNVUEXBR-MGQJNGNISA-N 785.123 6.832 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](C(C)C)Cc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOC)C3)c2)N1 2356465897 KYTSJXIJXUBRGZ-MMSWOKQGSA-N 769.087 7.589 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@@]4([C@@]21O)[C@@]36C 2356478380 BSONGZXFDOOTAW-KBZHENSLSA-N 595.871 6.238 50 1 KKGF COC(=O)N[C@H](C=Cc1ccccc1)[C@]1(C)C(=O)O[C@@H](CCc2ccccc2)C[C@H]1O[Si](C)(C)C(C)(C)C 2356484267 ORKKTZYRWZJLMK-QUULSXEQSA-N 537.773 6.769 50 1 KKGF CN=C1NCSS[C@H]2C=C[C@H]3CC[C@H]2[C@@]3(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2)N1 2356492124 XONQSERXDWQTFG-TWSMYRPXSA-N 767.027 6.190 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]67C[C@H](C)CC[C@@H]6[C@H](CCO)CC[C@]57C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356510349 WCEFQFNUYJDVIT-QHCAWXNQSA-N 928.264 6.918 50 1 KKGF CC1(C)CC[C@]2(CO[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 2356528334 UUAGMUWFWZGYBW-ZATQJSSESA-N 587.094 10.860 50 1 KKGF N[C@@H]1NC[C@@]23CC[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C[C@@H](C6CCCCC6)C[C@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356606160 GEUNEKQWQQZVKQ-AAUNUGNESA-N 955.256 8.838 50 1 KKGF C[C@H]1C[C@]2(C[C@@H](C)C(=O)O2)O[C@H]2C[C@]3(C)[C@@H]4CC[C@@H]5[C@H]6C[C@@]4(CC[C@@]3(C)[C@H]12)OO[C@H]6CC(=O)OC5(C)C 2356678992 AVQUXXDBAIYVRE-ZWFVPAIOSA-N 516.675 5.344 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4C[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@@]34C)[C@@H]2CCCCC2=C51 2356689161 ZHMAFZZAZWGLHB-LDLCREJZSA-N 815.199 8.506 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(CCCC(C)C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@@H]3CNC(=N)N[C@@H](C)O 2356722291 BZCNQRGBAJRTJC-VBPNEIBNSA-N 995.495 8.415 50 1 KKGF CC1=C[C@H](C)CC[C@H](C(Cl)(Cl)Cl)OC(=O)C[C@H]([C@@H]2C[C@@H]2Cl)OC(=O)C=C[C@@H]2[C@H]1CC=C1C(=O)NC[C@]12C 2356729724 DVSMDAZIABCDQH-TYCVUHPRSA-N 593.375 5.829 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@]4([C@@]36C)[C@@]12O 2356814342 CALIHOOVPGIENY-YFNVAOEVSA-N 621.909 6.288 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]2(CCCO)C(=O)O[C@@H]1C3 2356835992 KVZFKQRXEYLFNC-ZCIKIRASSA-N 824.982 5.360 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC(=CC4=NC(=C2)C([C@@H](O)CCC=C(C)CCC=C(C)CCC=C(C)C)=C4C)C(C=O)=C3CCC(=O)OC)C(CCC(=O)OC)=C1C 2356846389 ONQBLTRDWKCWPF-DYVQZXGMSA-N 825.063 10.452 50 1 KKGF CCCCCCCNC(=O)C1(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)CCN(C(=O)CCCCCBr)CC1 38140354 XZSJTFZLORXRNR-VWLOTQADSA-N 597.038 6.874 50 3 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@H]1C(=O)COC(=O)OC(C1CCCCC1)C1CCCCC1 4213678 YHKWQBFYBUXNDL-MCCAODLFSA-N 633.697 8.987 50 1 KKGF biogenic,in-man N#C[C@@H](/C(CCC(=O)Nc1ccc(Cl)cc1)=N/NC(=O)c1cc2ccccc2cc1O)c1ccccc1 5891534 WGEZIBBZWASWKM-HRDYNRMVSA-N 510.981 6.011 50 1 KKGF COc1ccc(-c2cc(C(=O)N/N=C\c3ccc([N+](=O)[O-])cc3)c3c(C)nn(-c4ccccc4)c3n2)cc1 28642536 UQKUNKVFJDHYCG-RHANQZHGSA-N 506.522 5.077 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(c3ccccc3)(C(F)(F)F)C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]23OO4 43888111 AVZUEUNLKJMZMA-QYUSLXOJSA-N 510.471 6.231 50 1 KKGF CC(=O)c1ccc2c3c(cc(N)c2c1)N(C(=O)c1cc2cc(OCCN(C)C)ccc2[nH]1)C[C@H]3CCl 45254886 OCWVMULXKFFKLQ-LJQANCHMSA-N 505.018 5.029 50 1 KKGF C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(CCCC6)OO5)cc4)cc3c2)cc1)[C@@H]1COC2(CCCC2)OO1 49899494 RVNMWQHQWJIJEE-UWXQCODUSA-N 648.752 9.685 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@H](c2cc(C)c3oc(=O)c(C(=O)OCC)cc3c2)OO1 84653692 DLYNQDQUVHMCIM-RDPSFJRHSA-N 501.329 5.100 50 1 KKGF Cc1ccc([P+](Cc2ccc(CCCc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95551519 DSCOPQVOWNLJSW-UHFFFAOYSA-N 831.077 12.701 50 1 KKGF O=C(CCC(=O)Nc1cccc2c1C[C@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2)NNC(=O)CCC(=O)Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 95607073 RPKDUSNTVQLLLU-GFEGKYNESA-N 841.066 5.387 50 1 KKGF C=C(/C=C/C=C(/CO)[C@]12CC[C@]3(CCCO)/C(=C(/C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)CC/C=C(\C)CN[C@H](C)CCOC 103574572 LMPNKBJHSNHPPL-VXWPBVPOSA-N 656.949 5.089 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOCc3ccc(COCC[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297110 XUFYPWXZXHYZIH-QDYPORCMSA-N 726.948 8.001 50 1 KKGF C[C@H](NC(=O)C(C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc(F)cc1 169364416 ULPRQWOAXHLNHL-SYSHOPDMSA-N 741.938 7.900 50 1 KKGF CCOC(=O)/C=C1\[C@@H]([C@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N1C(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 170137237 MCGJTYKTHYDJNH-VXMFBMGGSA-N 735.950 8.880 50 1 KKGF Cc1cc(Oc2ccccc2)ccc1-c1nn(C[C@@H]2CCCN2C(=O)/C(C#N)=C/C2CC2)c2ncnc(N)c12 211008829 FFNPAVVGSXGKFD-VAZXNAHHSA-N 519.609 5.027 50 1 KKGF CC(C)N1CCN(C(C)(C)/C=C(/C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1 224280096 BICRABDPLNFWOV-OBWJIVDRSA-N 651.791 5.425 50 1 KKGF CCC(=O)O[C@H](O[P@](=O)(CCCCc1ccccc1)CC(=O)N1C[C@H](C2CCCCC2)C[C@H]1c1nc2ccc(C(=O)NN)cc2[nH]1)C(C)C 586921688 UDXLQGHNRRKIFC-FORAWHBBSA-N 693.826 6.889 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](Br)[C@@H](Br)c2ccccc2)N1 587671364 RETKWEWULZLOPI-FWHCORMXSA-N 582.149 7.266 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@]23N[C@H](C)Cc2cc(Br)c(F)cc23)c1 587684679 LMTGVSDZLGALFQ-ASHKIFAZSA-N 592.292 6.144 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)c3ccccc3C1=N2 587744088 YTPYSLFYLYNFGL-BJLXPSRBSA-N 557.467 6.517 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(OC)cc3)c3cc(OC)ccc3CCN2C(C)C)cc1 962094756 RRDZGRPSCOSJNT-WDYNHAJCSA-N 538.482 5.869 50 1 KKGF Cc1cc([C@@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1CCc1cccs1 962578100 XCNUUWRNFJXELD-GOJCVTOHSA-N 652.216 7.547 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(C=CC3=C(c4ccc(N=C=S)cc4C(=O)O)c4ccc(O)cc4OC3=C1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962682957 VXWBHOGDNTZJCU-LHEWISCISA-N 724.713 8.103 50 1 KKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@]2(CBr)c1ccc2ccc3cccc4ccc1c2c34 962718146 XPMPBTUZYRZWCG-YKGWIAGDSA-N 530.506 7.725 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@@H](C)C4)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc1 962719015 VCVHAJZQIFZFPD-QIYVGXHKSA-N 599.237 7.244 50 1 KKGF COc1ccc([C@@]2(CCCCCCCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1OC 962934861 KNXZLPVZXUQBFB-DTYSSHEGSA-N 670.586 6.749 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(c1ccc([N+](=O)[O-])cc1)[C@@H](Cl)C(=O)Nc1ccccc1 963205135 NHLBFSHPIFQMNF-ATNBEAFSSA-N 537.019 6.207 50 1 KKGF CC(C)(C)[Si](OC1CCC2(CC1)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)Cc1ccccc12)(c1ccccc1)c1ccccc1 963706670 WRZZXSUMAGTSEH-OPHLOBRKSA-N 662.903 5.433 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccc(C#N)cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857562773 BXNBZWBCCYYYDM-VXUCHHJVSA-N 566.643 5.162 50 1 KKGF CCC[Si](CCC)(CCC)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O[Si](CCC)(CCC)CCC)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857565466 JNSHGVXWSRKTIE-WQNBNKQHSA-N 783.296 11.753 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCCOc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)nn1 1857636422 VJEYGDJQROXPHC-SANMLTNESA-N 613.205 6.894 50 1 KKGF COc1cc(N[C@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccoc1 1857759055 KJNYYSUTTCAXLM-SUDTXLHZSA-N 617.787 7.623 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@@H](C)CSS[C@H]6C=Cc7c(ccnc7N6)CC3=C4C(=O)O5)[C@H]21 2356292099 KDYWWPSYEMEEIG-XTHSNJIBSA-N 600.806 7.521 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC3(CCCCC3)[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356350157 WAJUTDNDCDQOAK-FTYYISLLSA-N 749.992 8.866 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCC[C@@H]6C=C[C@@H]7CC[C@@H]8C[C@H]3[C@H](O)[C@H]4C8=C7[C@H]56)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356359045 BTNBNAHHKFNTLU-QCCFKZCWSA-N 928.319 6.961 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356444501 XXPUOYJGHYAFTK-DFHLSLDBSA-N 709.079 6.772 50 1 KKGF C=C(C)[C@H](CC[C@]1(C)O[C@H]([C@](C)(O)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@]3(C)O2)C[C@H]1O)OC 2356475142 QDLARPIFFMRRKI-OQNHQCGXSA-N 617.662 5.614 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](O)C3CCCCC3)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356519704 MPDXWROKPVNXFQ-JJJKNQOYSA-N 975.331 10.569 50 1 KKGF CC(=O)O[C@@H]1c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@@H]1C 2356582205 XLIYEZKUQXAJCM-RKSQHALFSA-N 807.680 11.886 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)CNCC 2356664747 GXWFAMSWGMOMCI-XCFIPRTCSA-N 624.907 5.216 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@]54C)[C@@]21O 2356723615 OUMKPVLWPZWKHY-QZKUPPGCSA-N 739.101 7.560 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)c1O 2356773944 MYEYQYFZQQAUKG-WYVKPECMSA-N 754.964 7.514 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3CC[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc3)CNC(=N)N[C@]3(CCCC34CCCC4)SSCC3CCC(CC3)[C@@H](CC1)[C@@H](O)C2 2356779892 YRIQEKMXMKGEQG-GSFMDOFJSA-N 993.434 11.655 50 1 KKGF CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)O1 2356791300 GNYKSGURCLGHOD-DAZAHXMVSA-N 571.637 7.018 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NC3)N[C@H]3CC5=C[C@@H]2[C@]41[C@@H]1C=C[C@@]2(CO)O[C@@H](Oc4cccc5c4C(=O)[C@@]4(CSS3)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]4C5=O)[C@@H](O)[C@@]1(O)[C@H]2O 2356827802 IPRRIIKMYQHYEK-UFHBRVASSA-N 959.152 5.058 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSS[C@@H]2CCc3cc(O)c(OC)cc3[C@H]2CC(=O)C[C@H]1OC(C)=O 2356845223 OCOYWFYGRFVTGY-YJQDKZHLSA-N 531.740 5.909 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c2c(c(O)c(CNCCCO)c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@H]1C=C2 2356874446 YWEONRRIFMLJRJ-QTSUVZJBSA-N 989.270 7.274 50 1 KKGF O=P(Cc1ccccc1OP(=O)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 3144356 XJMFUCJLMFTEQS-UHFFFAOYSA-N 508.494 6.509 50 1 KKGF biogenic COC(=O)c1ccccc1NC(=O)c1c(SSc2c(C(=O)Nc3ccccc3C(=O)OC)c3ccccc3n2C)n(C)c2ccccc12 27732466 DJDVGDHKIAWWIB-UHFFFAOYSA-N 678.792 7.547 50 1 KKGF C/C(=C\C[C@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 40375164 IQZRDEYKPNMTKJ-HCBNQUSASA-N 501.151 8.588 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccccc2Cl)N1c1nnc(CNc2nnc3c4ccccc4nc-3s2)s1 44418976 PPTRYJFBJYZPSW-DOTOQJQBSA-N 514.423 5.003 50 1 KKGF C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@@H]5COC6(CCCC6)OO5)cc4)cccc23)cc1)[C@H]1COC2(CCCC2)OO1 49833145 PBZIKNUACYHOPI-MAZIBIHTSA-N 648.752 9.685 50 1 KKGF COc1ccc(/C=C/C(=O)N(/N=N/c2cc(C(F)(F)F)ccc2Cl)c2cc(C(F)(F)F)ccc2Cl)cc1OC 72177490 NIUFOUVNYINZHM-VZKVSVTQSA-N 592.323 8.794 50 1 KKGF C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O3)[C@H]2[C@@H](OC(=O)Nc2ccc(-c3cn(CCCCCCC(=O)NO)nn3)cc2)C1 170185499 YNBGBSUCOIHSSU-DZVBGLRJSA-N 764.053 8.599 50 1 KKGF COc1cc(C(=O)OC[C@@H](O[Si](C)(C)C(C)(C)C)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 195394253 DMCRHARSTGMREL-HSZRJFAPSA-N 536.694 5.658 50 1 KKGF O=C(CN1CCC(N2CCCCC2)CC1)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 222682611 PFXHWBYNXIKEAP-UHFFFAOYSA-N 575.585 5.503 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(OCC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056710 QKLMDNXUDQQIMW-NVMNQCDNSA-N 558.307 8.139 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321252 CTWNHCBKNYPPBB-GJABKNSGSA-N 515.968 6.400 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)s2)[C@H]1c1ccc(F)cc1 587372633 FSGUTHVLMDKCDN-AZUAARDMSA-N 512.194 6.005 50 1 KKGF O=C(Cc1ccc(CBr)cc1)OC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498565 IJLKWHVEMTXWII-LJAQVGFWSA-N 519.435 6.107 50 1 KKGF CC[C@H](c1ccccc1)[C@]1(c2ccc(OCCCl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541931 DUNLRFZPLGEQLH-DERQMEARSA-N 515.005 7.061 50 1 KKGF O=C(CCl)Nc1ccc([N+](=O)[O-])cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541944 DUWSSDBSAKKUHI-LBNVMWSVSA-N 565.365 6.037 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1cccc(I)c1 587571959 SPGVSZPBBYSONU-RXVVDRJESA-N 537.147 5.249 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 587673871 QZTXXWPSTIKDJC-PWECECGKSA-N 558.245 5.562 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 587709102 IANIOCKQZATEDJ-BLTYZCFWSA-N 533.930 5.631 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1C(=O)OCC1c2ccccc2-c2ccccc21 962572738 QIUKPYAOSIPRNL-RRTCDKLQSA-N 620.105 6.431 50 1 KKGF CC1(C)CC(=O)[C@@H](Br)[C@]2(C1)c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963084761 GZEQFWPXILUMDZ-JKMYNKRXSA-N 608.576 7.338 50 1 KKGF CC(=O)OC[C@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)c2c(F)cccc2C[C@@H]2CCCN21 963106238 JYYYFVGWSIKZRC-JSECXBFGSA-N 616.601 6.222 50 1 KKGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cc(F)c(CBr)c(I)c2)N1 963180373 PWVYEOWAHWBTJJ-CZUORRHYSA-N 592.552 5.686 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(N1)c1cc(Br)cc(F)c1C[C@@H]2Br 963196193 SDRIQQNUZOWEMR-DEYYWGMASA-N 557.563 5.423 50 1 KKGF COc1cc2c(cc1OC)[C@@H](c1cc(S(F)(F)(F)(F)F)ccc1Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963818197 SJURYYUWECAJHL-VWLOTQADSA-N 645.444 7.962 50 1 KKGF C[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1O 1857650465 LOIXDLJXZACZEY-PLKRWIMUSA-N 765.643 11.315 50 1 KKGF CC[C@@H]1C=C[C@]2(c3cc[nH]c3)CSSC[C@H](c3cc(O)c(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@H]2C1 2356363707 OKPTYTCLMYWRKU-FCMGMCGZSA-N 545.723 5.734 50 1 KKGF CNCCOc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@@H]1CCO 2356366695 OPOPURQPHRKYOI-GQNKCHKFSA-N 639.792 5.610 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356403494 LBFLZXMOORAOKX-UCISGTHGSA-N 843.159 5.841 50 1 KKGF CC[C@@H]1CCC[C@]12CC[C@H](Oc1cc3c(cc1O)[C@H](CCO)SSC[C@H](O)[C@H](Cc1cc(OC)c(O)c(OCO)c1)[C@H](O)C[C@H](OCO)CC3)C2 2356722513 JPQDWGWTKYSXHG-TWMDCTKSSA-N 752.989 5.620 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1C[C@@H]1O[C@H](CC(C=O)=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](OC(=O)c3ccccc3)O[C@@H](OC(=O)c3ccccc3)[C@@H]12 2356773299 VXAJNBQWNZNVQK-POWQMFJISA-N 817.120 11.886 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@H](O)[C@@H](CCC1)CC21CCCC1 2356868476 XCGFYWHPMJAVIS-UZEPNWFOSA-N 830.170 6.943 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@@H](OCCO)CCCC1 2356873717 YIACRWMLMIQPLV-PTDAHCISSA-N 794.093 5.399 50 1 KKGF CN(C)CCn1cnnc1-c1cc(Oc2ccc(NC(=O)N/N=C/c3cccc(Cl)c3Cl)cc2F)ccn1 169345160 WAXOCTYMPSZMGB-AMVVHIIESA-N 557.417 5.296 50 1 KKGF Cc1cn([C@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CNC(=O)C[C@@]3(C)C[C@@H](O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)CN3C(=O)OC(C)(C)C)O2)c(=O)[nH]c1=O 169998862 XKPREZASYVOYQM-YLCMGESJSA-N 835.204 6.374 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](CI)C4=C(CC[C@H](O)C4)[C@@H]3CC[C@@]12C 253634927 QJHZPCLORSPENH-GBDZDFTOSA-N 512.560 7.804 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)NCCCC[C@H](N)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cccc12 586943504 BWHTWNOQTNYTJX-IBGZPJMESA-N 656.541 7.351 50 1 KKGF O=S(=O)(NC1CC1)c1ccc(Br)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586951703 VRAPQZWAAOHRAC-UHFFFAOYSA-N 597.223 6.853 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3nc(Br)ccc3Cl)nc2c1 587004862 AGSJUFLFTYFFIJ-UHFFFAOYSA-N 513.511 7.461 50 1 KKGF O=C(Nc1ccc([C@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1)OCc1ccccc1 587499430 NBCVUIMIJKGOJG-MUUNZHRXSA-N 520.423 6.570 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587533320 RZZGVAKZGNFSJX-MFMCTBQISA-N 536.222 7.667 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)([C@@H](Br)C(=O)c2cccc(Br)c2)N1 587670235 JJSNBJQHWLTMMA-AMIRBURQSA-N 675.028 7.537 50 1 KKGF COc1cc(Br)c([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587674235 VGQFHIJGTIHRGR-APBUJDDRSA-N 552.076 5.541 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587722081 YEONFIIEWBCBKD-YYUOZPCZSA-N 562.257 7.267 50 1 KKGF FS(F)(F)(F)(F)c1ccc2nc(Cc3ccc(-c4cccc(OCc5ccccc5)c4)cc3)[nH]c2c1 587782180 HGXQMHXMYGDPBL-UHFFFAOYSA-N 516.535 9.057 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@]32N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H]2C(C)(C)[C@]12OC(C)=O 587813637 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COc1ccc2c(c1OC)[C@](CCl)([C@H](C#N)c1nc(-c3cccs3)cs1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809866 YWLOHEGMNGXUCD-UKPGIYTDSA-N 617.152 6.379 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(OC)c(F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937806 IAFBWSLRURPZBK-GQQQOLEVSA-N 662.249 5.454 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(/C=C/C(=O)c4ccco4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772576423 VIDDNRLFZRWIKE-XJNWPMORSA-N 524.610 5.779 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](CI)C4=C(CC[C@H](O)C4)[C@H]3CC[C@@]12C 1857535997 QJHZPCLORSPENH-BAVBTAPCSA-N 512.560 7.804 50 1 KKGF CC(C)(O)C=CC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)O1 2356328901 LNPHICKKKGHENP-QNTVEKJCSA-N 587.636 5.989 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC)C3)c2O)C12CCCC2 2356366436 IRUIVDQEMNTHHS-XUANFGKUSA-N 909.269 8.916 50 1 KKGF CN[C@H]1[C@@H](O)[C@H]2C=C[C@H]1SSC[C@](C)(O)CC[C@@H]([C@H](C[C@H](OC(=O)[C@]13CCCC[C@@H]1CCC(=O)N3)C1([C@@H]3CC[C@@H]4c5c3ccc(O)c5OC[C@@H]4CCO)CCNCC1)OC(C)=O)C2 2356602455 ADWRXSKBDDUAQF-MJWUCDPKSA-N 914.241 5.623 50 1 KKGF CO[C@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)C=C(C)C(C)=CC=CC(C)=CC#N)[C@@H]1O[C@]2(C[C@H](O)[C@H](C)[C@H](CC=Cc3coc([C@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O 2356623327 VIFOVINDEXWVQN-ISYABPOTSA-N 878.010 5.383 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@@H]1[C@H](CCCO)C=C[C@H](C4=O)[C@@]512)CCNC(=N)N3 2356625680 VVTJDKSPCDTYSM-AGDZMUALSA-N 515.789 5.075 50 1 KKGF C=C1C[C@@]23C[C@@]1(O[Si](C)(C)C)[C@H](O[Si](C)(C)C)C[C@@H]2[C@@]12CCC[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)OC 2356673273 FIBPEYBXIIRIQW-RJUWMGMPSA-N 506.788 5.058 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCCC4)C3)c2)N1 2356699601 CGUMHYAOPAUYAJ-LXGAKYHTSA-N 811.124 7.728 50 1 KKGF COc1ccc(OCC[C@@H]2C[C@H](C(=O)[C@H]3C[C@@H](CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)OC(C)(C)O3)OC(C)(C)O2)cc1 2356709264 VSTLSDQPKNLANE-JPGNECAASA-N 690.950 6.820 50 1 KKGF CCCCC[C@]12Cc3ccc(O)c(c3)O[C@H]3CCC[C@@](NC(=N)NC)(CSS[C@@H]1CC[C@H]1[C@@H]2O[C@@H](c2cc(O)c(O)c(OCCc4cccnc4)c2)C[C@H]1OC(C)=O)C3 2356740638 WVEUDLTVALHUTE-ODSWZKIUSA-N 849.129 8.369 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356767529 DJTBFWXQAVUAHP-HTIDFSEISA-N 829.132 5.798 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](CCNC)(CCOC)Cc2cccc(c2)C1 2356779732 XGODFPSPLHCSCM-OVVFZNQESA-N 926.293 6.433 50 1 KKGF C=C(CC[C@H](O)[C@]1(C)CC[C@H](C(C)(C)O)O1)C(=O)CC[C@@H]1O[C@H]([C@]2(C)CC[C@H](Br)C(C)(C)O2)CC[C@]1(C)O 2356794951 LOHFWUWSVGUPFZ-DKTYEOHTSA-N 603.635 5.151 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNC1=CC2=C(CC[C@@H]4CC5(CCCC5)C[C@]24C[C@@]2(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]2O)CN1 2356808745 AJNJFOFVUXULRU-FTLNWDFTSA-N 929.167 5.299 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SS[C@H]1NC2=C4C5=C(CC[C@@H]6CC[C@H](c7cccc1c74)[C@@]56C[C@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O)CN2 2356820280 FIYLSZJOWFLFCY-IDUKHWSBSA-N 947.141 5.418 50 1 KKGF N#Cc1cc(C(=O)N/N=C/c2ccc(N(C(=O)C3CCCC3)C(=O)C3CCCC3)c3ccccc23)ccc1O 13492720 BHMNOLWSFZMLPS-HNSNBQBZSA-N 522.605 5.421 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@H]3S[C@@H](CC(=O)NNc4ccccc4)C(=O)N3[C@@H](CCCN)C(=O)O)c2)cc1 27768301 IREWFSHSPSQGJH-FEVNIDIWSA-N 590.746 5.445 50 1 KKGF CCN(CC)c1ccc(/C=C/C2=NN(c3cccc(S(=O)(=O)O)c3)[C@@]3(C2)[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 73417944 GJRHITRDRUDSJP-CJEKIBICSA-N 622.172 6.019 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc3o[nH]c(=O)c5cccc4c35)cc2c1)c1cc2ccccc2[nH]1 95605309 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CCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587717294 KXWQLRVUVFQQAO-OZCJYQPPSA-N 681.058 6.865 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963030391 QRYSTYMPNOXLFO-RSRUXJMGSA-N 536.226 6.333 50 1 KKGF CN(c1ccc([C@@]2(CCl)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1)S(C)(=O)=O 963216844 CLBAKCRQOIRTPC-GVYVVWIYSA-N 737.143 5.347 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)N2CCc3ncccc3[C@@]2(CBr)c2cc(C(F)(F)F)ccc2Br)c1 963584938 TZYWYCIDQREAHG-MHZLTWQESA-N 715.286 7.778 50 1 KKGF CC1CCN(C(=O)[C@@]2(C)C(=O)C(C#N)=C[C@@]3(C)[C@H]2CC[C@]2(C)[C@@H]3C(=O)C=C3[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]32C)CC1 1772598611 QIRFRZPNLUNSMS-SWUWOUEWSA-N 572.834 7.320 50 1 KKGF S=C(SSC(=S)N1CCCO[C@H](COc2ccccc2)C1)N1CCCO[C@H](COc2ccccc2)C1 1772621171 QAKIIERVLLFPRB-ZEQRLZLVSA-N 564.820 5.277 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@]3(OC[C@@H](OO3)[C@]3(C)[C@@]4(C)CC[C@@]5(C)CCC(C)(C)C[C@H]5[C@@]4(C)CC[C@@]23C)C1(C)C 2356333458 RAPGDEKELRZXMW-HEBPLYGTSA-N 544.817 8.247 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@@H]2C[C@H]3CSS[C@H]4CC[C@@H](C[C@@H]4[C@@H](C)O)c4ccccc4Cc4cc(O)cc(c4)C[C@@H](C3)C2)C1 2356369285 DXWFVIDCVNKCBO-AXSCBRNSSA-N 590.939 9.579 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@@H](C)CCSS3)[C@H]2O)cc(OC)c1O 2356373431 AFKANJMTEOXQHA-MCFGHZCYSA-N 636.832 7.598 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@H](C(C)(C)O)O1 2356405945 IXKSFJQVWRDNPC-KLNRTERGSA-N 647.688 5.754 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356443117 APKCWRQIONZWTO-OKYUSQCHSA-N 829.132 5.654 50 1 KKGF CC1(C)[C@@H](O[Si](C)(C)C)CC[C@]2(C)[C@H]1CC[C@@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(CO[Si](C)(C)C)CC[C@]3(C(=O)O[Si](C)(C)C)CC[C@]21C 2356651953 JAEMARCYWIQCHR-BZFNNCQKSA-N 689.259 11.218 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@]2(O)CC=C[C@@H]4CN(CCCOC)CC[C@@H]42)O3)O1 2356730404 CVAJRUDEKIYLPL-UUBICAHESA-N 865.033 6.258 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CCCCCCSSCNC(=N)NCC[C@H]2CC(=O)N3Cc4cc(cc(OC5CCCC5)c4O)C[C@H]1CC#C[C@H](CC(C)C)[C@@H]23 2356775911 PMRQFMNOXMQVOT-VEMQZNIGSA-N 771.103 7.149 50 1 KKGF CC(C)(Cl)[C@@H](Br)CC[C@@](C)(O)[C@]12CC[C@@](C)(O1)[C@H](CC[C@@H](O)[C@@]1(C)CC[C@@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)O1)O2 2356808582 YZARRXISSFENGE-VIXPDCHXSA-N 739.454 7.354 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(C[C@H](CO)CCCO)CC3)[C@H](O)SSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356809735 ASNVWRXYIPEKKH-MFNHEFHOSA-N 968.292 8.014 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC2=CC(=CCN2)C1 2356812300 BTGXWGDPMCUEKP-OFGIUEKWSA-N 651.895 5.723 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@@H](C6CCCC6)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(C)=C2OC)[C@@H]5C)c1 2356822891 GGSRNDDOYNSNRA-BOBMNDANSA-N 840.249 11.526 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356850319 PPGSCVQSXXXXGB-RLXPOTDFSA-N 732.021 7.595 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356863769 VIJAKEYPXFOEHI-UHGQEVTDSA-N 957.361 9.101 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356876078 ZUXXBSHODFMEBI-ZQSOMSEDSA-N 908.196 7.934 50 1 KKGF O=C(Nc1ccc2[nH]c(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2ccccc2[nH]1 27714263 WZQLMSCQINXTTO-ACUNGTFPSA-N 561.041 7.143 50 1 KKGF COc1ccc([C@@H](O)CNCCCCCCNCCSSCCNCCCCCCNC[C@H](O)c2ccc(OC)cc2)cc1 28218231 RSFVSUUQBLFEBJ-HEVIKAOCSA-N 650.996 5.331 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@@H]3CCC[C@H](CC[C@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c1O 85567692 FBXJFSXQWQKROH-OBFMKXCXSA-N 738.965 8.227 50 1 KKGF biogenic,in-vitro O=C1C(Cc2ccc(Cl)cc2)=C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 95563731 DYYNCRGMDQUJON-UHFFFAOYSA-N 644.171 8.787 50 1 KKGF O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(CC3CCCCC3)=C[C@H]12 150344749 KVINWTVMYISUJO-APASFSLPSA-N 764.963 5.631 50 1 KKGF biogenic,in-vitro C=C(C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=C)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 169297192 IJRWADGSZHMTLV-JTGQXYRJSA-N 614.820 7.380 50 1 KKGF CCCC[C@H]1CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c(c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 255261544 QSSPVYZUPDQNSI-ZCFLBFLYSA-N 815.869 7.954 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COC(=O)c3cc(F)nc(F)c3)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299821949 CQJRRKIEWSOKIJ-PPOGDEGJSA-N 747.873 7.414 50 1 KKGF COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C=NNC(=O)c3ccccc3)CCc3ccccc3)oc12 299855781 GEBAXZVVTWYJAA-SXOMAYOGSA-N 568.674 5.119 50 1 KKGF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(C)C)cc1 586933770 XKUBLPWRZUBPOE-GOSISDBHSA-N 605.449 6.295 50 1 KKGF CC(C)CCOc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1Br 587009765 RJIHHELEBKEJJM-NRFANRHFSA-N 517.855 5.870 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(OCCC(C)C)c(Br)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587053899 AVMKBINXPZPHSH-ODLFYWEKSA-N 572.334 8.529 50 1 KKGF CCCCNS(=O)(=O)c1ccc2nc(/C(C#N)=C\c3cc(C)n(-c4cccc(Cl)c4Cl)c3C)[nH]c2c1 587056255 KXULDRDOGLCETM-UYRXBGFRSA-N 542.492 6.420 50 1 KKGF COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1F 587190225 KASUPFIFEACOKL-SGCRPITASA-N 609.783 6.743 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1CCc1ccccc1 587325197 CQMKDAGMDNFQRJ-JDXGNMNLSA-N 504.001 6.686 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)([C@@](C)(CC)NC(=O)c1cc(Cl)c(C)c(Cl)c1)CC2=O 587458876 LUOLQMDTTZJPRN-RPBOFIJWSA-N 512.861 6.501 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)O1 587509005 VNWAHOPPCJQDGC-OBEUNBAYSA-N 627.193 6.603 50 1 KKGF FC(F)(F)Oc1ccc([C@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962963523 XMHKFGNXVQKWRR-FQEVSTJZSA-N 524.299 5.894 50 1 KKGF COc1ccc(-n2c(C)cc([C@]3(CCl)c4scnc4C[C@@H](C(=O)O)N3C(=O)OC(C)(C)C)c2C)cc1OC 963148045 OYPXFAMWZIQDTG-CCLHPLFOSA-N 562.088 5.297 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cccc(OC(F)F)c1)N(C(=O)c1ccccc1N)CC2 963159672 RDSIQNNFZMIVBG-AREMUKBSSA-N 547.396 5.224 50 1 KKGF COc1ccc([C@@H]2c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OCCCCl 963200458 QPAVWMHTGXTBPT-JTSJOTPCSA-N 588.056 6.646 50 1 KKGF CC(C)[C@@H](Br)[C@]1(c2ccccc2)c2cc(O)ccc2CCN1c1nc(Cl)nc2c1ncn2C(C)C 963929081 STBDJMQVHCHIQO-KCWPFWIISA-N 554.920 6.492 50 1 KKGF S=C(SSC(=S)N1CCO[C@@H](COc2cccc3ccccc23)C1)N1CCO[C@H](COc2cccc3ccccc23)C1 1772607632 ZKJMGWRPIJJXKS-WMPKNSHKSA-N 636.886 6.804 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356350635 GWJSDUXDZTYTMQ-UCMITYGESA-N 589.912 5.974 50 1 KKGF CCCCC[C@@H]1C[C@]2(CC[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OCO)c3)[C@H](O)C[C@H](OCO)CC4)C2)C[C@@H]1NC[C@H](C)O 2356360249 BHAMFRRLKWMUDE-JNRCMKABSA-N 868.165 5.739 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC)c1O 2356364353 WGLJQQLCVWJDTQ-YTWFBPNJSA-N 610.794 7.210 50 1 KKGF C[C@@]12CCSSC[C@H](NC(=N)N)CC[C@H]3CSSC[C@H](CCO)[C@H]4CC[C@H]1CC1=C3C(=O)C[C@]142 2356370844 UTPKMLSOHZHCPO-OPDSDJMTSA-N 541.874 5.105 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H](C(=C(C)C=O)CC[C@]2(C)O)[C@@H](CCO)CC[C@]13O)CCC=C(C)C 2356422399 BOCRHDOORLNBLG-CTOXKOILSA-N 512.731 5.360 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4Nc5nccc6c5-c5c4cccc5[C@@H]4CCC[C@]64C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356447628 YINMVCVPKBNDCL-RBFXCHOBSA-N 861.007 5.824 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356645091 FMXGBXQYOLAMDL-HYDHCOEQSA-N 795.118 7.035 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@@H](CCc3ccccc3)CC#C[C@@H]2NC(=N)N1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC5 2356673735 OFKLVIGDELBADD-MYGVOKPSSA-N 883.146 5.236 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2)N1 2356753006 MNIJDGDIIYGAKD-XQULRFOCSA-N 743.005 6.025 50 1 KKGF C=C1C[C@H](O)[C@@H]2CCCC[C@@H]3C[C@@H]4C(=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]45C)[C@]4(O)[C@@H](CSSC[C@H](n5ccnc5)CC1(C)C)C[C@H]2[C@@]34C 2356765418 QJCVSTIUXSTRTL-BTBUQXNHSA-N 685.009 6.390 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1cccc(C2CCCCC2)c1 2356773271 VGJUBNOVYDHLBE-OVBUCQOJSA-N 680.037 7.398 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SS[C@H]7C=CC8=C(NCC=C8[C@H](CN8C(=O)C=CC8=O)C3=C5C(=O)O6)N7)[C@H]42)CCCC1 2356835065 KNYCWEQTFFUEEF-KDHYIRKSSA-N 934.234 8.324 50 1 KKGF CCCNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356874909 ZWOBEMJRBXEXFL-VQUNJTTLSA-N 928.139 6.742 50 1 KKGF c1ccc2c(c1)OC[C@H](CNCCCCCCNCCSSCCNCCCCCCNC[C@H]1COc3ccccc3O1)O2 43409377 AOVGGARUNFMLQB-KYJUHHDHSA-N 646.964 5.527 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@H](NC[C@H](C)O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 85571140 MDICNXLHDFEEMJ-DNIZUQKGSA-N 813.055 7.059 50 1 KKGF biogenic,in-vitro C=C(c1ccc(Oc2ccc3ccc(Oc4ccc(C(=C)[C@@H]5COC6(OO5)C5CC7CC(C5)CC6C7)cc4)cc3c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 95615826 DUVUDEKMYCCHHY-WZVJTLAPSA-N 780.958 11.450 50 1 KKGF C[C@@H]1C[C@]2(C[C@@H](C)[C@@H]3[C@@H](C[C@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O 96906093 KYSAZQMUXWZIQI-NUTVKISESA-N 514.659 5.264 50 1 KKGF CNC[C@]12C[C@H](CC#COc3c4cc(cc3O1)C1(C/C=C/C(=O)[C@@]3(Cc5ccc(O)c(OC)c5)CCC[C@@H]3CSSC/N=C(/NC)N4)CCCC1)[C@@H](C[C@H](O)OC)C2 150347380 LPSIYRVPKJUBGM-HFVZIUCDSA-N 833.130 7.559 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)OCC[C@]1(CO[Si](C)(C)C(C)(C)C)OS(=O)(=O)C=C1NC(=O)NC(=O)c1ccccc1 195308170 YXVQERXKQCZKFP-AREMUKBSSA-N 584.884 5.500 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299842843 YCOIJPSIDUQDNN-DTTYMPOQSA-N 812.448 5.694 50 1 KKGF COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCCCC1)OO2 299847779 DKMPSZABQRXVTG-IRXVNADNSA-N 662.861 7.365 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O[C@@H]5O[C@H](c6nc7cc(S(F)(F)(F)(F)F)cc(Br)c7[nH]6)[C@@H](O)[C@@H](O)[C@@H]5O)CC[C@@]43C)[C@H]1CCC2=O 586912635 WHKARNMPJWLTIF-FSTRGIDCSA-N 741.614 7.380 50 1 KKGF CCOP(=O)(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 586919183 AKTJWJGJJJPENW-JGCGQSQUSA-N 653.676 5.880 50 1 KKGF COC(=O)c1ccc(Oc2ccc3nc([C@H](Cc4c[nH]c5ccccc45)NC(=O)CCl)[nH]c3c2)cc1 587009637 OANRNLAWHWSSCZ-DEOSSOPVSA-N 502.958 5.262 50 1 KKGF COC(=O)c1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2n1 587190038 HMEBWVJGYKMPAB-URHMPENBSA-N 620.791 5.776 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(Br)cc1C(F)(F)F)CC2=O 587463653 ZHFQJPFFXQCNDK-LJQANCHMSA-N 522.155 6.382 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cccc([N+](=O)[O-])c12 587645569 CXMANIQPUMCPMM-LLAJOKFHSA-N 643.108 5.986 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(OCc3ccccc3)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587671581 UPOQGMXSTNUANR-YPBQGGFRSA-N 533.279 6.728 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 587723416 WRVUMZPEVNCECK-XLFHBGCDSA-N 515.114 5.799 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 587728972 BMRIZMGBTLSBLA-QCGXOKJJSA-N 520.849 6.116 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br 587842885 GWYKAWOGPZDLTB-ZEKRQZSVSA-N 919.053 9.774 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)N[C@@H](C)Cc2cc(Br)c(F)cc21 587855096 FSULGPSJWFTCPG-QZXCRCNTSA-N 577.947 6.541 50 1 KKGF COc1cc2c(cc1OC)[C@@]1(C(C#N)=C[C@]3(C)C4=CC(=O)[C@@H]5[C@@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962684042 YPZIIAUDEBQAFR-AOZIKYGZSA-N 826.997 10.352 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccc(Cl)cc1 962691173 BFLLAUFRPAHAFZ-JTHBVZDNSA-N 515.334 5.987 50 1 KKGF Cn1c(O)cc2cc([C@]3(CBr)c4c(ccc(F)c4F)C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)ccc21 963032113 CCABNFCQLJMXOW-BVGRYSDNSA-N 673.510 7.061 50 1 KKGF CC(=O)c1c(C)[nH]c([C@]2([C@@H](C)Cl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1C 963072305 CZBCACBHEDMZBF-HMCCJOPISA-N 783.214 8.661 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@]2(CC[C@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963241636 WJURELALDVHRLD-TYPXCFOJSA-N 579.949 5.066 50 1 KKGF COc1cc2c(cc1OC)[C@]1(/C(=C\c3cc(C(=O)CCl)c[nH]3)C(=O)c3ccccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808268 PYORCEMPYRJAFG-HLBPCALCSA-N 634.088 5.726 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccc4ccccc4c3)nc12 1857601779 XCZKXDIIXRGEQX-UHFFFAOYSA-N 531.595 8.361 50 1 KKGF C[C@@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857613872 IYOMWJOPDZCBRL-MRXNPFEDSA-N 539.482 8.483 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356357409 IRQZUYBWVYCTAW-OBILABRDSA-N 918.324 7.111 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)CC[C@@H]4CCC[C@@H]4[C@@H]5[C@H](CCCO)NC[C@H](C)O)c3)cc1CO)C[C@@H]2N 2356372665 KARJGCYECPMCRD-OBSRMHHPSA-N 981.424 7.867 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2[C@H](N)C[C@H]3C[C@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)[C@H]6C=C[C@@]8(CCC[C@@H]8C6)[C@@H]7CNC[C@H](C)O)c5)cc4CO)CC[C@@]24C=C[C@@H](C[C@@H]34)[C@@H]1C 2356587640 RSFZAYVEIXNMSA-CFOHWFOJSA-N 997.426 8.619 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@](O)(CO)[C@@H](O)C5 2356617185 TZWJZVHRKFAOMT-BXBBWCQSSA-N 884.211 5.579 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](c1cccc(O)c1)c1cc2cnc1N 2356632890 JSBSDRTYRLAMKE-ORSQZHMGSA-N 602.778 6.986 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1CC[C@]1(C)[C@H](Br)CC=C2COc3ccc(C(=O)O)cc3C[C@H]21 2356634547 HKJSNLGQALZKKO-MTROBDDWSA-N 584.389 6.767 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356731630 UIZLUTJCRGLYEX-FACCHGDCSA-N 789.029 7.964 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NC1CCCC1)c1cccc(CO)c1)CC(=O)CC2 2356752310 XQXMYDPXOIVRBT-QQLMSYFVSA-N 701.951 8.992 50 1 KKGF CC(C)(Cl)[C@H](Br)CC[C@](C)(O)[C@@H]1CC[C@](C)([C@H](O)CC[C@H](O)[C@]2(C)CC[C@H]([C@](C)(O)CC[C@@H](Br)C(C)(C)Cl)C2)C1 2356762667 MJHMIBYCWMSRPM-CAGBLHAGSA-N 737.526 8.725 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=CC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)C5)c1O 2356776055 CUXNTUMOCPAOEW-OILBOPLBSA-N 793.013 7.853 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCCCCCCCCBr)[C@H]3[C@@H]1CC[C@@H]2O 58615777 ZCUGQNQYPCEVMT-LIHJZYAESA-N 505.581 8.131 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1cccc(Br)c1)SS/C(=N/c1cccc(Br)c1)OCCN1C(=O)c2ccccc2C1=O 95615859 SWHDMJHONNLOIH-YEQLPCBTSA-N 808.530 7.894 50 1 KKGF O=C1N(CCCCCC(Br)Br)[C@H](Cc2ccccc2)[C@H](O)[C@@H](O)[C@@H](Cc2ccccc2)N1CCCCCC(Br)Br 96126626 ICZAKUIGRWRENM-HHGOQMMWSA-N 810.304 8.021 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4cccc([N+](=O)[O-])c4)cc3F)ccnc2cc1OCCCN1CCCCC1 96283540 QKLFDWFNTMTLAH-XICOUIIWSA-N 616.650 6.493 50 1 KKGF COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(CCl)c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 96887217 FBYTYZIJLCKBQE-MPQUPPDSSA-N 761.315 9.112 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169361844 BQZGIZZCEBSBQH-HWYPRINUSA-N 870.484 5.539 50 1 KKGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(=O)CCCCCCCCCCCCCCC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238765444 CRPWEBPOIQAQIA-VAHZKKEBSA-N 616.836 7.273 50 1 KKGF CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(OC)cc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 586948803 LLNFNDLZBBMURI-UHFFFAOYSA-N 658.465 7.867 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323577 LESDBANRJKDYEW-NQNCGZLKSA-N 541.962 5.944 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587325045 BRZHBFHGQKQHBT-ZXRKZBAXSA-N 542.434 6.449 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nn(C)c(=O)c2ccccc12 587325878 HJSJQTQHTRZKDW-QVWWMRLHSA-N 601.034 5.074 50 1 KKGF COc1cc2c3c(c1)O[C@]1(c4ccccc4C(=O)c4cc(Cl)c(NC(=O)[C@@H](C)Cl)cc41)[C@@H](C2)C3=O 587419707 YESJZDBBFFNSBI-FUVRAYFUSA-N 508.357 5.150 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1ccc(C(F)(F)F)cc1C(F)(F)F)CC2=O 587462716 RPBOGSPEHKHUFT-IBGZPJMESA-N 511.256 6.638 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)c(C)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587672130 YDPSAYJOQDBSFK-MDZDMXMASA-N 573.344 7.246 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 587711239 IXFALWIMQBXSJX-VVVCHXIZSA-N 560.021 6.542 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 587724118 ZKHURNQWKJGIAS-HUTHGQBESA-N 531.569 6.313 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CBr)c3cccc(Cl)c3Br)c(O)c2C(=O)O1 962943843 CYFDUOUWBAJOOW-VLZANYDYSA-N 698.191 6.353 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1)c1ccccc1 963000165 UMTGHQAHKNEEBJ-VTIYRKAUSA-N 530.697 6.121 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963090848 INXGJDKZCDIPKJ-KECDXJOKSA-N 891.509 8.609 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](c2cccc(Cl)c2)([C@H](C)Br)N1 963163840 SCJHZDRLCCKMLN-GZVXAIOISA-N 667.047 7.647 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2sccc2Cl)N1C(=O)c1ccccc1 963415305 LHCJJNZXDHTKRX-CYFREDJKSA-N 529.843 5.673 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1OC 963447571 KZLHODFMHRHPGO-JRXWHNFESA-N 713.581 6.244 50 1 KKGF Cc1cc([C@@]2(CBr)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(F)cc1Cl 963548973 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8.747 50 1 KKGF biogenic,in-vitro COc1cc2c(cc1OC)/C(=C(/C=O)c1ccc(-c3cc(OC)c(OC)cc3C[C@H]3c4cc(OC)c(OC)c(OC)c4CCN3C)c(OC)c1OC)NCC2 95912469 FLLGTCPIQGAJQA-HVYIKQNHSA-N 754.877 6.416 50 1 KKGF biogenic,in-vitro COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 96283556 QHBPZKYEIZUNBU-CHSHITCJSA-N 641.622 6.450 50 1 KKGF CCCCC[C@H]1/C=C/C(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSC/N=C(/NC)Nc2cc(cc3c2OC#CC[C@H]2C[C@](CNC)(C[C@@H]2C[C@H](O)OC)O3)C12CCCC2 150347328 BYMPGSIYMBPRBE-LDKWYKQQSA-N 903.265 9.365 50 1 KKGF biogenic,in-vitro COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299819221 UXZCKFPBCBHVFY-CPTLLIHPSA-N 897.148 7.237 50 1 KKGF COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc1OC 299821229 BWNCARZDFITIIQ-SANMLTNESA-N 526.589 5.589 50 1 KKGF CCOc1n[nH]c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1Br 586980375 WPUXKCICVOLLOI-UHFFFAOYSA-N 512.096 6.534 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587009516 JGTDGQQWCNJNRB-INIZCTEOSA-N 515.717 5.344 50 1 KKGF Cc1cn(-c2ccc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cn1 587324116 WCIYHBPMCJPGEH-RSXGOPAZSA-N 507.359 5.675 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C2[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]2(C)C3)c1 587360472 NSXSKYHMXYNROI-NHXTUGEGSA-N 596.565 8.781 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587557786 TWXNXPPYPTXUNP-HRAIYSDBSA-N 691.192 7.239 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@@]1(C)CBr 587672205 DZYWQNXAUZOMRQ-YBXTWBNXSA-N 524.110 5.912 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(=O)[C@@H](Cl)C(=O)c2ccc(Br)cc2)cc1 587884373 KFLHCSYSFDZKMR-XMMPIXPASA-N 577.689 6.139 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3ccc(I)c(C(F)(F)F)c3)N12 962658264 CMTVBOPBGOANTG-VXKWHMMOSA-N 619.219 5.595 50 1 KKGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CCCCCCCl)(c2cccc(OC(F)(F)F)c2)N1 963192116 YHTWELLLJWPJCX-IRLDBZIGSA-N 558.346 7.289 50 1 KKGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@]12C(=O)N(Cc1cnnn1-c1c(Cl)cc(Cl)cc1Cl)c1ccccc12 1772634606 LJMRTBINLWCIJR-JGCGQSQUSA-N 666.916 5.825 50 1 KKGF O=C(OCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1F 1857538519 MKHYZGHGBQRTSI-UHFFFAOYSA-O 613.774 9.363 50 1 KKGF O=C(N/N=C/c1ccc(Oc2nc(Oc3ccc(/C=N/NC(=O)c4ccccc4)cc3)nc(Oc3ccc(/C=N/NC(=O)c4ccccc4)cc3)n2)cc1)c1ccccc1 1857608286 KUJWMFRRFLXQQS-AMOCLMOJSA-N 795.816 7.540 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(/C=C\CO[P@](=O)(OC/C=C/[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)Oc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857650648 PWXZDCAVIYYGPI-BKMFZLOMSA-N 758.842 8.328 50 1 KKGF CC(C)CCc1c2oc3c(c4c(c(OC5CCCC5)c3c1=O)[C@@H]1CCC[C@](C)(O)[C@@H]1O4)CSSC[C@@H](NC(=N)N)C[C@@H]2O 2356292439 HDQFXYHJZGYSJY-CLJBCRPPSA-N 631.861 5.653 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@H](c2cccc(O)c2)SSC1 2356314197 RBJJJRITONONPT-QTEAWJPNSA-N 578.756 6.507 50 1 KKGF CN[C@H](Cc1ccc(O)cc1)O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1 2356350925 MNPXSFPKZGLJOM-ZZMKVXQQSA-N 663.858 6.734 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1CC[C@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@@H]3Cc1ccccc1 2356357748 UMCPYFZQPXRAEL-WREYLZLGSA-N 567.865 6.132 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@H](C)Cc2cccc(c2)C1 2356364936 BUXXJUOCOXGZNO-IZCYCBEHSA-N 717.004 5.251 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356366690 OOPWXZHGLCELGS-PXNXSBTJSA-N 903.255 6.431 50 1 KKGF CC1=C(CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]32C)[C@@H]2[C@H](C[C@H]1OO)[C@](C)(O)CCC2(C)C 2356431121 CXYXLYVALJRWSW-DUKSMOTHSA-N 508.740 5.634 50 1 KKGF CCCCCCNC[C@@H]1C[C@]2(C[C@H]3[C@H](C[C@H]4CSSC[C@@H](C)NCc5ccccc5Cc5cc(O)cc(c5)C[C@H]3C4)[C@]3(C=CC[C@@H](C)C3)C2)CC12CCCC2 2356447277 YZHUUIRZXDSPFA-WQGWUXRQSA-N 783.289 12.550 50 1 KKGF C=C(C=O)CC(=C)COC(=O)[C@](C)(O)C[C@@H]1CC[C@H](O)[C@]2(C=C(C)C[C@H]([C@H](C)C=C[C@@H]3CC[C@]4(CC[C@@H]5O[C@H]([C@H](O)C[C@H](C)[C@@H]6O[C@]7(CCCCO7)CC[C@@H]6C)C(=C)[C@@H](O)[C@H]5O4)O3)O2)O1 2356460772 IXHIMLDLLGVXHB-APHCBUFJSA-N 913.155 6.374 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@@H](O)C2=C[C@H]1CCC2 2356493659 ANPOGWGODPOCJF-NNRXJADWSA-N 885.240 7.069 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356646223 UPYDYPAWWZYDLK-RINWSULZSA-N 841.011 6.092 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@H](C)[C@@H]54)[C@@H]3CC[C@@H]2C1 2356699466 UZOSLJNYISOLSY-AOVFMUFRSA-N 549.546 5.837 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H](CCCO)[C@@H](O)CC5CCCC5)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356728045 XHCJWFBHBSXXMI-WKNISULPSA-N 749.992 7.983 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356731784 YTMNUZVMZUHFMD-XGNQHLNDSA-N 889.282 9.971 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@]4(CCC(=O)N3C(=O)CCC3=O)[C@@H]12 2356745033 YOZBQJOSNGGTON-GJBBVTLWSA-N 563.735 5.714 50 1 KKGF CCC=CCC=CCC=CCCCCCCCC(=O)OC[C@@H](CO[C@H]1O[C@H](CO)[C@H](OO)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCC=CCC=CCC=CCC 2356764404 FRMJXPCHGMQHNY-JOTZEHCXSA-N 791.076 8.934 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C(=O)Cc2cccc4c2[C@H](NC[C@H](C)O)C(=O)N[C@@H]4N)CC[C@]3(C)O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356770723 GLRCZMGDYAPOFX-UIUVPOHNSA-N 860.196 6.227 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356778957 IAHKUGQJSODANE-VPKHKFIZSA-N 882.291 7.163 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(C(=O)C=C3[C@]3(O)CC[C@@H]1[C@@]23CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)CSS[C@H]6O)[C@]54C 2356779492 UEXRYAPJVXUKIG-OMYMKJKZSA-N 920.244 6.092 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@@H](O)SSCNC7=CC(=CCN7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356837833 LNNLRSZKMBUXHB-UFPLHKBFSA-N 674.929 7.306 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H]2C=C[C@@H](C[C@H](CC=C[C@H](O)[C@H](O)C3CCCCC3)[C@H](Cc3cccc(CO)c3)CSSCc3ccccc3C2)[C@H]1CCN 2356852533 QQOHJBGWGOLTLS-HJIXBQMOSA-N 752.096 7.195 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4cc(CCCO)ccc4[C@H](CCc4ccccc4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@@H]5C[C@H](O)CC[C@]54C)[C@@H]3CC[C@H]21 2356876283 ZJDJMUAMRIKORV-MJAPWUECSA-N 788.217 8.901 50 1 KKGF COc1ccccc1[C@@H]1[C@H](Cl)C(=O)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873570 UTVKAGYMPJEEHO-LOSJGSFVSA-N 657.377 6.129 50 1 KKGF BrCCCCOc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br 84757433 FEOPWCYPLDSKGG-UHFFFAOYSA-N 636.798 8.083 50 1 KKGF C=C(/C=C/C=C(/COCCO)[C@@H]1CC[C@]23[C@H](/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H](CCO)CC[C@@]13O)CCC=C(C)C 85544588 WDTKFTNQHRGVNY-GLIPILBMSA-N 556.784 5.377 50 1 KKGF biogenic,in-vitro COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1ccc(Br)s1)C(=O)OC)NCCC(=O)c1ccc(Br)s1 95546973 HXXAURMVKLBXFN-IYBDPMFKSA-N 730.588 5.604 50 1 KKGF O=C1C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)=C(C2CCCCC2)C(=O)c2ccccc21 95559445 UKCQARLILCEKQJ-UHFFFAOYSA-N 601.747 8.471 50 1 KKGF O=[S@]1c2ccc(Cl)cc2C[C@@H](SS[C@@H]2Cc3cc(Cl)ccc3[S@](=O)c3ccccc32)c2ccccc21 102946253 HDJWIAKCZPDXOF-LELIKZFUSA-N 587.640 8.603 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@H]6C[C@@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC7=C(c8cnc[cH-]8)C[C@@H]6C[C@H]7SS4)[C@@H]5[C@H]2O)O3)c1O 150342815 KRUJKHQBCSDUIM-HQRUGXJZSA-N 973.290 9.804 50 1 KKGF biogenic,in-vitro C[C@H](O)CCCC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 150349177 LVQKGKQVHYSGEK-IRQNZQRXSA-N 847.136 8.742 50 1 KKGF biogenic,in-vitro CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCC3)c2)ccc(O)c1OC 150349792 KXNNYICRHMZSAB-YGQCMXHBSA-N 973.291 9.541 50 1 KKGF biogenic,in-vitro Cc1cc(/C=C(/C#N)c2nc3c4cccnc4c4ncccc4c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054578 GMCGIYREWSUOAH-AQTBWJFISA-N 509.400 7.438 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056385 NDPZASPQGIFMGU-CPNJWEJPSA-N 596.927 7.796 50 1 KKGF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587108382 POVSCUOSGRPLHT-AWEZNQCLSA-N 600.351 7.527 50 1 KKGF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(Br)cc(S(F)(F)(F)(F)F)cc2[nH]1 587147234 HOSKTHWLIGALLJ-UHFFFAOYSA-N 515.252 7.329 50 1 KKGF COc1cc(Br)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587320886 HLTGOHYHXIBFFK-ISKFKSNPSA-N 566.217 5.960 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587531760 JHRVQLYHRAJQNA-LMSSTIIKSA-N 524.082 5.406 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(CBr)cc2)N1 587671673 AAZHHLDJWPZFJN-BBATYDOGSA-N 506.051 5.656 50 1 KKGF COc1ccc(/C=C(\C#N)[C@]2(C(C)(C)C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(OC)c1OC 587729972 DNUBWHCFLWFEAU-BZXWMCQMSA-N 517.439 5.997 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 587750806 JPFCXRMKEDLOEP-QVQMVTHCSA-N 538.417 7.139 50 1 KKGF [C-]#[N+][C@H](c1cccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1)S(=O)(=O)c1ccc(C)cc1 587895039 BVCPXCHNWPHYFR-SANMLTNESA-N 511.430 5.404 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 962695913 COEYAXIZNKQVIZ-XUZZJYLKSA-N 546.895 5.935 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(CCCC[C@H]2CNCCBr)N1 963158805 NVCLOAATZVZHPL-NOPVECSPSA-N 653.665 6.337 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 963161879 WPERRTKZAZDEQR-HQLCZOSHSA-N 746.790 8.906 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(c1ccccc1)[C@H](Cl)c1ccccc1 963841450 OSKPMVGDCMWIBK-FLWBZKNBSA-N 506.042 6.855 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2cc(OC)ccc2Br)nn1 1857629548 WNNFJIWORWUWAG-TVDQUAFHSA-N 598.582 6.845 50 1 KKGF COc1cc2c(cc1C(=O)NNc1ccc(OC(F)(F)F)cc1)CC[C@H]1C(C)(C)C(=O)C(C#N)=C[C@]21C 1857654058 UATDJTVJHLFLEB-BKMJKUGQSA-N 513.516 5.230 50 1 KKGF C[C@H](N)C(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(OC(=O)N(CCCl)CCCl)ccc4[C@@H]3CC[C@@]12C 2356336818 NRUFLTXGIPFVSH-SCIFNBSMSA-N 511.490 5.080 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN[C@@H](CC)C1)C3 2356366115 AIZXGGJRMDDHHI-WMQYBDCDSA-N 698.813 5.200 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H]([C@H](CCCO)SSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]3CC[C@@]21C 2356368974 CCBGRQXYODMXPV-CPFAHHDVSA-N 703.024 5.751 50 1 KKGF CCO[C@@H]1[C@@H]2C(=O)c3c(O)c4c(c(CC=C(C)C)c3O[C@@]23[C@H]2C[C@H]1C(=O)[C@]3(CC=C(C)C=O)OC2(C)C)OC(C)(C)C=C4 2356499627 IKFKEJSONUWRCD-ODLDRRASSA-N 590.713 5.722 50 1 KKGF C[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@H](Cl)[C@@H](Cl)CCCCCCC=CCl 2356542175 MRHBLGIXICCSSZ-VMCMIOBHSA-N 513.138 6.324 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@H]4C=C[C@@]12C[C@H]4C3 2356667186 KRYDUCHZFSFIFY-DUSCFZCKSA-N 694.107 11.463 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c2c1CSSC[C@@H]1CN[C@@H](N)c3ccc4c(c31)CC1=CN=C3CN(C=C13)[C@@H](CC#C[C@@H]4O)O2 2356809891 ATYDMUDYEUABJF-OHDBJKNTSA-N 714.954 5.690 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CCC[C@H]1C=CC1=CNCN13)c1cc2cnc1N 2356841100 NESUICDJBABAHX-FKYXXIFTSA-N 670.901 7.045 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC[C@H](c2ccc(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356861897 UUVUHJSOZYVDPS-JVICHNFNSA-N 505.702 5.594 50 1 KKGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356871470 YBIDUQUOSTVSPA-QVIRAXTBSA-N 559.918 5.583 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CCC[C@@H](C[C@]45CCC[C@H]5CNC)[C@H]3O)C=C12 2356876378 ZKAAFZQNHMSDLN-TXHSJKGBSA-N 927.331 7.341 50 1 KKGF O=C(NCc1cc(F)cc2c1OCCO2)[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1 8019115 YAXAFVDHTPXHHB-TWLDFKIOSA-N 556.574 5.109 50 1 KKGF C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H](Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)N(NC(=O)OC(C)(C)C)C1CCCCC1)C(=O)O 29048506 DBRFPRWFQXXOMQ-MPCRQKTFSA-N 713.832 6.072 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)cc1)C2 64573317 BJJKDFKTTUEZAD-ATZGPIRCSA-N 588.064 5.705 50 1 KKGF COc1ccc(N(C(=O)CCl)[C@@H](C(=O)NCCc2ccccc2)c2ccc(Cl)s2)cc1Cl 66156582 CURVSIRRHYEYDT-JOCHJYFZSA-N 511.858 5.736 50 1 KKGF CO[C@H](CO)CC[C@H]1CCC2(CCCC2)C[C@@]12CC#C[C@H]1/N=C(\N)N[C@H](C(C)C)CSSC[C@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC4 150348309 ACZZLXDYOWYUHX-OPJGBGJDSA-N 1003.340 5.912 50 1 KKGF biogenic,in-vitro CNCc1cc(O)cc([C@]2(C(=O)C[C@@H](O)[C@H](Cc3cnc[cH-]3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 150349802 GQEXYRVCLXIYBV-SAGRBCQISA-N 915.167 7.974 50 1 KKGF biogenic,in-vitro O=C(N/N=C/c1cc(F)ccc1O)c1ccc2c3c(ccc2c1)N1Cc2c(ccc4cc(C(=O)N/N=C/c5cc(F)ccc5O)ccc24)N(C3)C1 299870165 VYKDILFYBGBUGZ-HRPTZAEHSA-N 682.687 6.508 50 1 KKGF N[C@@H](Cc1c[nH]c2cc(Br)ccc12)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587001697 VFMVFJCHTADEBY-ZDUSSCGKSA-N 560.184 7.469 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 587322519 MXLHBNOKMLRAOA-VPUSJEBWSA-N 510.403 6.171 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)[C@@H]1c1ccc(F)cc1 587323728 SQGSIGHZIZAIDF-IRLDBZIGSA-N 551.162 5.851 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2F)[C@@H]1c1ccc(F)cc1 587335874 RTEAXYHFBRDLSE-IRLDBZIGSA-N 524.155 6.082 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543361 KJEAPGMMUKHEGV-QYDYLWNGSA-N 549.505 7.862 50 1 KKGF CCS(=O)(=O)c1ccc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Cl)c1Cl 587608145 PGZRDDUWCPEJDG-JPYJTQIMSA-N 572.260 5.745 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)CCC2 587687344 GBURQYZLGRKKCQ-HAWMADMCSA-N 501.871 6.501 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cc(C)n(-c3cccc(C(F)(F)F)c3)c1C)N(C)[C@@H](C)C2 962627185 KZWITKVGINCTOK-QMTYFTJSSA-N 506.996 6.489 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 962996366 JKRKUGLZAUCMJP-XCZPVHLTSA-N 518.038 5.420 50 1 KKGF COc1ccc(-c2cc(C(=O)NCCSSCCNC(=O)c3cc(-c4ccc(OC)c(Br)c4)on3)no2)cc1Br 1857588773 HHZKPCYEOJEFGP-UHFFFAOYSA-N 712.442 6.080 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCc1cn(CCCOc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)nn1 1857629787 FADJKJHHDDWRAZ-VWLOTQADSA-N 599.178 6.504 50 1 KKGF CCCCCCCCCCCCCCCCCC[P+](Cc1ccccc1O)(c1ccccc1)c1ccccc1 1911577590 ZXOAUHSMYXHGHO-UHFFFAOYSA-O 545.812 10.822 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c3c(c2)O[C@@]2(CNC)C[C@@H](CC#CO3)[C@@H](C[C@H](O)OC)C2)N1 2356351161 REJWRJNKTWEXOI-NFTUGNLZSA-N 779.038 6.289 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@@H](CO)CC3)CC(=O)CC2 2356351783 GBRHWUKNSFOPBP-XWYYKDDNSA-N 957.265 8.592 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356400688 HCBUFFYTWAZLRV-GCWJYHBESA-N 955.345 9.249 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@@]4([C@@]21O)[C@@]36C 2356478379 BSONGZXFDOOTAW-CQNBATMPSA-N 595.871 6.238 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H](CCCO)[C@H](O)CC5CCCCC5)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356565506 YRSOWXYYXHAEKR-VATRIRCNSA-N 764.019 8.373 50 1 KKGF COOC[C@](C)(O)[C@@H](O)CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[C@H](O)C(C)(C)O 2356714021 YYNMLQJLJBQYOP-QMOZSOIISA-N 524.783 6.494 50 1 KKGF CN=C1NCC[C@@H]2SS[C@@H]3CC[C@@H]4[C@H](OC(C)=O)C[C@H](c5cc(O)c(O)c(OCCc6cccnc6)c5)O[C@H]4[C@H]3Cc3ccc(O)c(c3)O[C@H]3CCC[C@@]2(C3)N1 2356775217 JRZGYMBGUXJSFT-FVTONNOXSA-N 805.032 6.612 50 1 KKGF CO[C@H]1C[C@@H](C[C@@H]2O[C@H]([C@H](C)C(=O)OO)[C@H](C)[C@H](O[C@H]3CC[C@@H](OC)[C@H](C)O3)[C@@H]2C)O[C@]2(O[C@](C)([C@@H]3CC[C@H]([C@@H]4CC[C@H]([C@@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)O4)O3)[C@H](OC)[C@@H]2C)[C@H]1C 2356780451 WWIQNJAWIWZDGY-XTWLVKMFSA-N 885.142 6.435 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CCCC1 2356817734 DMZFUBHAJJMCSD-CJWWQSFHSA-N 804.132 6.335 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356844065 SYWKOGGYMMZLJP-QFNFEOJLSA-N 822.131 6.390 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CCC[C@H]1C=Cc1cncn13)C1=CC2=CN[C@@H]1N 2356850897 QBNGJSQFJPSVQP-RBZJXTHVSA-N 670.901 6.652 50 1 KKGF CC(=O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 17594804 INDBPULSIXDSCZ-IUODNOILSA-N 523.998 6.744 50 1 KKGF COc1cc2c(cc1OCCCCC(=O)N1C[C@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O 26272533 QDRCSKSRLSLQEW-PMACEKPBSA-N 562.066 5.793 50 1 KKGF CCCC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29241354 RBGBYUGLTLOTDN-BDYUSTAISA-N 641.548 5.289 50 1 KKGF CCCCOC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145572 LVHSMTIPVCIBAR-XRCOBOKTSA-N 547.780 7.549 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@H]5C3)O4)CN3C[C@@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@]4(CCCC45CCCC5)SSCC4(CCCC4)CCC[C@@H](CC1)[C@H](O)C2)CC3=O 150348612 ITZDXQWKSNZCFJ-RNXSXCPLSA-N 1009.440 10.562 50 1 KKGF biogenic,in-vitro C[C@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl 254124547 JJQGOUALJFARBW-RXGZUTTISA-N 539.883 6.116 50 1 KKGF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(Cl)cc12 587078226 LSINEZLSOFQGHA-SNVBAGLBSA-N 587.792 8.835 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1scc(Br)c1Br)CC2=O 587491137 JHXCVALXWZCHNA-QGZVFWFLSA-N 539.083 6.187 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Br)cc2I)N1 587737692 GLVHTQYFBOSMIV-HUTHGQBESA-N 617.920 6.128 50 1 KKGF Cc1cc2c(cc1F)[C@@](C(=O)NNC(=O)c1ccccc1)(c1c(-c3ccccc3)[nH]c3ccccc13)NCC2 962095873 XYVSCELUNYCSIQ-YTTGMZPUSA-N 518.592 5.133 50 1 KKGF COc1ccc([C@@]2(CCCCCCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 962401981 JKKOVDBFLSNTGM-XLNFBEDTSA-N 641.164 7.402 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](c2ccc(F)cc2)([C@H](Cl)C(=O)C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962475571 OPUOOFRURDAQMD-MUIGKXGOSA-N 639.001 6.464 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccc([C@@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)c(F)n2)C1 962730173 MEVPRVLSCRJDOP-ODOSVJCGSA-N 537.674 5.804 50 1 KKGF C[C@@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962949122 BIMWQHYMSNNZTP-GDJIYFAZSA-N 529.002 6.215 50 1 KKGF Cc1ccc(C(=O)[C@@H](Cl)[C@@]2(c3ccc(C)c(C)c3)c3cccc(Br)c3CCN2C)cc1C 963282825 YGDNSGABKDAWTR-VSGBNLITSA-N 510.903 6.905 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc(N3CCCCC3)cc2)N1C(=O)c1ccccc1 963441304 BZALWOYANHPONG-DHIFEGFHSA-N 572.503 5.948 50 1 KKGF CCCCCCC[C@@H](Cl)CCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772637462 XYNWKOXRMZVNTQ-JGWUVIRBSA-N 661.792 8.962 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356469650 VTEIWAHVQKZCHP-GOSCVIQDSA-N 907.246 7.153 50 1 KKGF CN[C@@H]1C=Cc2c(c(O)cc3c2[C@H]2Oc4c(ccc5c4[C@@H](CSSC3)Cc3cc(O)cc(OC)c3-5)[C@@H]2COC(C)=O)OC1 2356546884 UPKPENHXZJOMRU-BDMNYEIVSA-N 619.761 6.082 50 1 KKGF CC(C=CC1=C(C)CC[C@H](C)C1(C)C)=C[C@@H]1C[C@]2([C@H](O)O1)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O 2356583485 VKLHLMJHQATABJ-RSWOYRETSA-N 500.720 5.804 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@@]2(CCCC[C@H]2CSS[C@@H]5O)C1=O 2356585513 RXDGZHMRTTUOSF-RCJQHUODSA-N 894.250 7.487 50 1 KKGF COc1cc2c(cc1OC(=O)OC(C)(C)C)CCN[C@@]21CS[C@H]2c3c(OC(=O)CCCl)c(C)c4c(c3[C@@H](COC1=O)N1[C@@H]2[C@@H]2c3c(cc(C)c(OC)c3O)C[C@H]([C@@H]1C#N)N2C)OCO4 2356590348 LDSCRYJYWATDQQ-TXDZCXFKSA-N 919.450 6.204 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356665070 SDDVVKHKNHLYNS-VRMYEBNESA-N 947.405 11.432 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](C1)[C@H](CCc1ccccc1)c1ccc(=N)[nH]c1C#CCc1cc(O)c5c(c1[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@H]1N[C@H]3CCC[C@@H](CSSC[C@H]1O5)C3)C2 2356689752 XHOWHFAZOPOEKG-NRQUZXJDSA-N 988.285 10.966 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@@H](O)[C@@H]3C[C@@H]1CC[C@H](C3)C2 2356823873 GPRGZRZKDVPHSP-DXGSGEIKSA-N 828.154 6.335 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@@H](N)C(=C2)[C@H](Cn2ccnc2)SSC1 2356866921 VPJDBWUZIAVVBM-CKXMXMCGSA-N 594.803 5.355 50 1 KKGF BrCc1c2ccccc2c(-c2cc(-c3ccccn3)nc(-c3ccccn3)c2)c2ccccc12 35654133 BTQCYUVVNOBHHF-UHFFFAOYSA-N 502.415 8.074 50 1 KKGF CCCN(CCC)C(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145552 SRSFZOYALRVOOJ-SRSZBKANSA-N 574.850 7.855 50 1 KKGF C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@@H]4COC5(OO4)C4CC6CC(C4)CC5C6)cc3)cc2)cc1)[C@@H]1COC2(OO1)C1CC3CC(C1)CC2C3 49898906 PQQYBUKYBWQPKG-JLTZXOGCSA-N 730.898 10.296 50 1 KKGF O=C(N/N=C(/c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1nnc(COc2ccc3ccccc3c2)o1 53312906 TZKUPQMAQHXIAW-JVCXMKTPSA-N 508.494 5.284 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc3oc(=O)[nH]c5cccc4c53)cc2c1)c1cc2ccccc2[nH]1 95576034 HKEUENFCQUDZKR-GOSISDBHSA-N 576.012 6.472 50 1 KKGF N#Cc1c(-c2cccc([N+](=O)[O-])c2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@H]1c1ccccc1 96933493 XHTNBKQCCJYWBK-LOSJGSFVSA-N 520.936 5.767 50 1 KKGF Cc1c(-c2ccc(OC(F)(F)C(Cl)Cl)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C 103204306 QXYBLEXVMVUMQR-UHFFFAOYSA-N 532.802 7.754 50 1 KKGF C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]2(C)O)[C@@H]1O)CC/C=C(/C)CCCc1ccccc1 103525733 XJXWSEROVOZLLF-GGKBJOCRSA-N 590.845 6.973 50 1 KKGF biogenic,in-vitro COc1cc(C[C@@H]2[C@H](O)CSS[C@@H](CCO)c3cc(O)c(O[C@H]4CC[C@H]5CNC6(CC#C[C@]7(CCC[C@H](C)C7)[C@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 150346756 NAFNUTQSAMGUFA-GAMZNCPVSA-N 928.264 7.552 50 1 KKGF biogenic,in-vitro C=C(c1ccccc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169313921 ZOPPIEXJTMDFHN-XYEXXURQSA-N 548.852 9.864 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4cccc(N=C=S)c4)C[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@@]314 169360395 JQKFCNUCPHRFHS-DLLFKZJKSA-N 561.707 5.829 50 1 KKGF Fc1ccccc1NC(=S)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccccc1F 473150916 NIQFFLOUBJHUDT-UHFFFAOYSA-N 554.738 8.382 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(CBr)[nH]c3cc21 586972453 RPVMRJCFNMFWDQ-UHFFFAOYSA-N 575.507 6.718 50 1 KKGF CN(C)/C=C(/C#N)[C@]1(c2ccccc2Br)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319188 ANTPWRXUJTVMOL-DFCYXGNASA-N 507.359 5.517 50 1 KKGF CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C1 587321800 KSCLFMREOBVOKD-CGSPVCNISA-N 534.422 5.671 50 1 KKGF COc1cc2c3c(c1)O[C@](C)([C@@]1(OC(C)=O)CC[C@H]4[C@@H]5C=C(Cl)C6=CC(=O)C[C@H](CCl)[C@]6(C)[C@H]5CC[C@@]41C)[C@@H](C2)C3=O 587423631 UXXZUEHGFSIWRF-XFQGJYJFSA-N 613.578 6.843 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1c(Cl)ccc(F)c1Cl)(C(Br)Br)CC2=O 587466543 OLCCJWYQXHPONM-LJQANCHMSA-N 541.038 6.767 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 587673431 MUJZMHVTIZTZGE-MRDQGFSESA-N 561.289 6.047 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3[C@@H]4C[C@@H](Br)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)N1 587674531 XLIJCXKIJMQXPE-LRGXWOQBSA-N 579.392 7.223 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)/C(=C\C=C1/N3CCCc4cccc(c43)C1(C)C)C(=C(C#N)C#N)c1ccccc12 587789720 FPKAKRDFAAHLRS-HOESMNNJSA-N 617.566 7.735 50 1 KKGF CC1(C)[C@@H](OC(=O)CCC(=O)O)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(c6nc7ccc(S(F)(F)(F)(F)F)cc7[nH]6)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 587947864 DERBPAAVWHUNCO-KBPXLNODSA-N 768.930 11.229 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CCl)(c3c(-c4ccc(Cl)cc4Cl)[nH]c4ccccc34)N12 962630132 DUNMPCQPZWPTLU-XZWHSSHBSA-N 564.900 7.271 50 1 KKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(CCCCCCCl)c1ccc(C(F)(F)F)cc1 962720167 ZVBDKMOAVLOQSA-PXDATVDWSA-N 500.045 7.641 50 1 KKGF Cc1cc(F)c([C@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1Br 963177068 JAQDFTYLVOUFEC-SJLPKXTDSA-N 559.579 5.806 50 1 KKGF CC(C)=CC[C@H]1C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c4ccc(OCCCCCBr)c(O)c4)=C2OC1(C)C)C3=O 1857586436 ODKAEGAIPQUTFG-CNDIJILOSA-N 751.843 10.828 50 1 KKGF COc1cc2c(cc1OCCCC(=O)Nc1cn(C)c(C(=O)Nc3ccc(NC(=O)CCC(C)(C)SSC)cc3)n1)N=C[C@@H]1Cc3ccccc3N1C2=O 1857616106 XGXQBQNXRWGRKO-MHZLTWQESA-N 769.950 7.275 50 1 KKGF Cc1ccc(C(=O)/C=C/c2cc3c(c(C(C)(C)C)c2)OC(N)=C(C#N)[C@H]3c2c(C)[nH]c3ccc(Cl)cc23)cc1 1857631269 IINRTQXXPWKOEF-XVWBKBPCSA-N 536.075 7.850 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc(cc(=O)c5c3OC3CCCC3)[C@H](O)C3(CCCC3)[C@H](NC(=N)N)CSSC4)O[C@H]21 2356295276 YOLPUAFBZPDSDY-AMPZFQQGSA-N 615.818 5.234 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@@H](O)C1)C3 2356301143 RGHULZQWQPBEKZ-WRTFWJFVSA-N 941.318 8.420 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@@]2(CCO)CC[C@@]35CCN(CCCOC)C[C@@H]3C=C[C@H]2[C@@]15O)C4 2356365556 NWSJYOISIOIEJL-ZIKGKBQOSA-N 975.145 5.179 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CC[C@]5(CCCC56CCCC6)C4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356437652 ANLZXHMNNZCQLF-UHVSNYJFSA-N 897.125 6.736 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356594150 KFFUVLKOQKEGOP-VIOXXJMPSA-N 704.993 5.517 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCC[C@H](Cc3cccc(O)c3)C1)CC[C@H](O)CC(=O)CC2 2356700859 IURSOCVSJHFFQH-FPTBQKRCSA-N 937.238 6.792 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4N=CC=C4C3)[nH]c(=N)c1CSS[C@H]1C=C[C@@]3(Cc4c(cc5oc(C)cc(=O)c5c4O)O[C@]3(C)C1)OC2=O 2356805896 AEFOTWQYZYEARG-OVLFGVRPSA-N 848.020 5.506 50 1 KKGF Cn1c(C[N+](C)(C)CCCCCCC(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O 73224678 OBPYGAPASOAGMQ-NRFANRHFSA-N 560.184 5.060 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)COC(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)[C@]1(C)CC2 95543477 SORIDFAWEHLRGI-WPDWNJNVSA-N 861.159 7.305 50 1 KKGF CC(=O)Nc1ccc(/C=N\c2ccc(SSc3ccc(/N=C/c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 100883992 POTDSBFJYXGIQR-QXLZFTBOSA-N 538.698 7.904 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N/c1cccc(OCC)c1)C(=O)Nc1ccc(C)cc1-2 101042761 AWNGMHPZGRVNBX-YMRWSMOXSA-N 551.307 7.268 50 1 KKGF CC(C)=CCC/C(C)=C/C[C@@]12OC(C)(C)[C@H](Br)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 103236175 VQGNJNAIEBZJEK-XHCSNWKWSA-N 539.894 6.547 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)C/N=C(\N)N[C@]2(CCCC23CCCC3)SSC[C@H](CCc2ccccc2)CCCC[C@H](O)C1 150348613 BZQXWDZQWJADRR-UWKVGUJDSA-N 1019.470 11.963 50 1 KKGF biogenic,in-vitro C/C(=C\C[C@@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@H](C)CCCC(C)C 195063216 IQZRDEYKPNMTKJ-SYSGAKPQSA-N 501.151 8.588 50 1 KKGF COc1ccc(/C(=C/c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2)c2cc(OC)c(OC)c(OC)c2Br)cc1 195173547 KRUCTNNBPRLAKS-QJOMJCCJSA-N 615.637 8.465 50 1 KKGF O=C(N/N=C/c1ccc(OCc2ccc(Cl)cc2)cc1O)Nc1nc2ccc(N3CCOCC3)cc2s1 299837740 PJMIYXNSNPDMEY-RWPZCVJISA-N 538.029 5.227 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587328633 JSIAWFZFTMUKEM-UNMCSNQZSA-N 574.162 6.962 50 1 KKGF Nc1c(Br)cc([C@@]2(CBr)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587498237 GRJBTRPKHNFKSF-FQEVSTJZSA-N 544.081 5.928 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OCc3ccccc3)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537428 FJFDUYSOKPMZCD-YXLARRHKSA-N 531.402 6.612 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OC(=O)C(C)(C)C)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587672278 ZHGOTQSIJIXBSP-XMQCVEROSA-N 527.272 6.101 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587689241 RCTKYHLIIIUUHS-CIICLBFASA-N 527.821 5.525 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(F)cc2Br)N1 587725644 FSKYPFPKHXJSRS-HUTHGQBESA-N 510.014 5.663 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 587736950 CNAQZANWNUSGKD-PBNKOMEISA-N 729.340 6.443 50 1 KKGF CCN(CCCl)c1ccc([C@@H]2c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962574513 UWAUXDAZWNDGIX-ROJLCIKYSA-N 582.100 6.497 50 1 KKGF C[C@@]1(CCCBr)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962578924 YFCCLWACEMJVGQ-UFHPHHKVSA-N 535.438 5.732 50 1 KKGF CCC(=O)OC[C@]1([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)c2ccsc2CCN1Cc1ccco1 962709071 QWUCSGSCRJFFDM-LHNHTETHSA-N 714.296 6.686 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](CBr)(c2ccc(C)c(C)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963362770 ACMMMTPAWLFYBI-SHUZPENHSA-N 626.547 6.996 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H]3C[C@@H](C4=CCOC4=O)O[C@@]3(CNc3ccccc3)CC[C@@H]2[C@]1(C)CO[Si](C(C)C)(C(C)C)C(C)C 1857646215 NSNZCPQSUMWNJV-UFVCMBBUSA-N 639.950 8.066 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CCC5(CCCC5)[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@H]2[C@H]1C)N43 2356309761 LCRAMWCFHNHXFP-AYWLVTORSA-N 655.967 8.130 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@@H](O)C1 2356354262 XFTCXYAYOKSOOZ-JJQVQRSFSA-N 941.358 10.702 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]2([C@@H](C)O)C#C[C@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@@H](CCN4)Oc2cc(c(CO)cc2O)C[C@H]31 2356364261 RQGBVMZVMGKQFC-CZHOIBSHSA-N 884.263 6.064 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSS[C@H](CCCO)[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@@H](O)C5 2356768917 XUBXLRQUZPIAQW-UDAMOKSMSA-N 882.239 7.140 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNC2=CC(=CCN2)C1 2356812298 BTGXWGDPMCUEKP-CRSFLBDVSA-N 651.895 5.723 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356822255 FTLABEDARYDBMG-WVWNRJNMSA-N 853.209 7.060 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1)[C@H](NC(=O)c1ccc(C#N)cc1)[C@@H]1CC=CCC1 36176379 QMMNPJKVOZYGDW-SEISLXRGSA-N 634.777 6.162 50 1 KKGF CCCC(=O)N[C@H](CCc1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CCc1ccccc1)NC(=O)CCC 36176480 DGAACZPYHKOXDE-VSGBNLITSA-N 564.767 5.944 50 1 KKGF C=C(c1ccc(Oc2cccc(C(=C)[C@H]3COC4(CCCCC4)OO3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 42876126 JMCXAUIMHKVSCX-LOYHVIPDSA-N 534.649 7.520 50 1 KKGF CCCCC/C=C\CCCCCCCCCCCCC(=O)OC/C(=C\C#N)COC(=O)CCCCCCCCCCCCCCCCC 85504770 QYWYFOXGSYMIMO-LAZCQPEQSA-N 672.092 13.602 50 1 KKGF biogenic,in-vitro COc1ccc(-c2cc(-c3nc4ccccc4[nH]3)nc(N3C(=O)[C@@H](Cl)[C@H]3c3ccccc3)c2C#N)cc1 96933456 UQRZYIFGDIIKCB-IZZNHLLZSA-N 505.965 5.867 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](n2cc(-c3ccc4cnn(Cc5ccc6ncccc6c5)c4c3)cn2)CC1 170187828 KFHKXMBLOGYCPH-ISILISOKSA-N 537.784 8.002 50 1 KKGF COc1ccc(CO[C@](C)(CCO[Si](C)(C)C(C)(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)CC[C@H]2C[C@H]3C=CCO[P@](=O)(O3)O2)cc1 254047111 UTSZXQPSRBHBFS-WNMYHEFWSA-N 713.054 10.448 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587077703 XIFWIPMHFOKITL-INIZCTEOSA-N 516.761 7.973 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190047 HMOUWDURCIVLCE-UATTUGJOSA-N 577.766 6.300 50 1 KKGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326677 MKIPGPLVIVEGGP-NVQXNPDNSA-N 515.921 5.061 50 1 KKGF Cc1cc(C)c([C@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587672652 GVYWCBKILKJHMR-CWTRNNRKSA-N 520.078 6.140 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 587710487 CZCGCJJMQDAXCK-WYRIXSBYSA-N 503.725 5.204 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 587715929 YQDLIQRIRNOXKM-RBHXEPJQSA-N 517.105 6.058 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 587839047 FXSBRCMLUPNKEI-YJYMSZOUSA-N 593.371 5.647 50 1 KKGF COc1ccc(F)cc1[C@@]1(CCl)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962572415 KUVQLDWQJIFJHI-ZUKKLESISA-N 573.020 5.972 50 1 KKGF COc1ccc([C@@]2([C@H](C)Br)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 962684325 ZYHFGMVMYOVBHG-HPGBDJQBSA-N 608.451 6.465 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1CCN(c2ccc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)c(F)n2)C1 962730170 MEVPRVLSCRJDOP-FRGLQRNOSA-N 537.674 5.804 50 1 KKGF Cc1ccccc1-n1c(C)cc([C@@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c1C 962960149 RSSALUIBKVCVOS-MHZLTWQESA-N 503.008 6.555 50 1 KKGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963006761 BSAOMCLGUPHPTL-LUMSXSJSSA-N 564.469 5.653 50 1 KKGF COc1ccc([C@]2(CBr)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 963019434 OVGIOWVAVYKAFB-AJTFRIOCSA-N 598.837 5.528 50 1 KKGF COc1ccc2c(c1OC)[C@@]1([C@@H](Br)[C@H]3CC[C@@]1(C)C3(C)C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963776285 MRJFHVCMGRZJRD-OFPKDFQKSA-N 565.508 5.868 50 1 KKGF CNC(=O)c1cc(S(F)(F)(F)(F)F)cc(NS(=O)(=O)c2cc(Br)cc(Cl)c2O)c1O 1857555943 VAZWKKNFRGLKJW-UHFFFAOYSA-N 561.732 5.332 50 1 KKGF COc1ccc(/C=N/NC(=O)c2ccc3[nH]cc(C(c4ccc(C)cc4)c4c[nH]c5ccc(C(=O)N/N=C/c6ccc(OC)c(O)c6)cc45)c3c2)cc1O 1857747042 AGEQGSYKJBDERX-FTNJMUCTSA-N 720.786 7.094 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CC5(C[C@H](O)CO)CCCC5)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356292689 ULAIEBGPDXGCBG-CLHSBOQRSA-N 960.272 8.460 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)CC2CCCCC2)[C@@H](Cc2ccccc2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356309209 MNYWYBWYNWXDNL-HQXOCJRHSA-N 637.996 9.103 50 1 KKGF CN[C@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(CO)c1 2356370382 PKHCRXHBYNOQAD-RHBXAEEVSA-N 647.859 7.679 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)C=C[C@@]5(O)C2(CCCC2)[C@@H](NC(=N)N)CSSC3)O1 2356414942 VYSZNBZEIAAATA-YHDXWGGJSA-N 734.941 6.186 50 1 KKGF C=C(C=CC=C(C)CCC=C(C)C)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCOC(=O)CCCCCCCCC)C(=C(C)C=O)CC[C@]2(C)O 2356535297 STJFJPTXDBOCEX-OVUVKEQWSA-N 624.947 9.689 50 1 KKGF CN[C@H]1[C@@H](O)[C@H]2C=C[C@H]1SSC[C@@](C)(O)CC[C@@H]([C@H](C[C@H](OC(=O)[C@]13CCCC[C@@H]1CCC(=O)N3)C1([C@@H]3CC[C@@H]4CCOc5c(O)ccc3c54)CCNCC1)OC(C)=O)C2 2356734775 TWONKCAOHQJWOW-XLBVVOEMSA-N 870.188 6.014 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356833271 ZUANDHVDDDCXKC-PWTVDBLPSA-N 714.930 6.632 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CCC[C@H]1C=Cc1cncn13)C1=CC2=CN[C@H]1N 2356850899 QBNGJSQFJPSVQP-ZPYCYKDNSA-N 670.901 6.652 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356868374 XATKKZWUGKUMKV-RQRKYHLRSA-N 897.173 5.747 50 1 KKGF CCC[C@H](C(=O)NNC(=O)[C@H](CC(C)C)[C@@H]1CCNC1=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Oc3ccccc3)c2)C1=O 49778271 RKWICHLPTAYKOC-NGFPHSLCSA-N 703.925 5.501 50 1 KKGF Cc1cc(OCc2c(-c3[nH]c(=O)ccc3Cl)noc2[C@@H](C)Cl)ccc1-c1ccc2c(C(=O)O)cn(C)c2c1 70622161 TYHBGPDYBQNGAO-OAHLLOKOSA-N 552.414 6.727 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)Nc1ccc2c4c(cc(O)c2c1)N(C(=O)OC(C)(C)C)C[C@H]4CCl)C[C@H]3CCl 95551345 OIJQNOUPXVOYPM-JWQCQUIFSA-N 777.746 9.088 50 1 KKGF Cc1c(C(=O)NNCc2nc3ccccc3n2Cc2cccc(Cl)c2)sc(C(=O)NNCc2nc3ccccc3n2Cc2cccc(Cl)c2)c1C 95563477 BPTZHNOJFZBOFY-UHFFFAOYSA-N 737.717 7.337 50 1 KKGF CCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c(C(N)=O)[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 150344002 QHGJJZOHIPVXOI-GWTPRBCOSA-O 899.033 5.148 50 1 KKGF biogenic,in-vitro CCCCCCCOc1c(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@@H](C)Sc3sccc32)c1OCCCCCCC 169300217 NIPQZZZUZUCLPI-GWWNTZMBSA-N 789.193 11.337 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)NCCNC(=O)[C@H]1CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C2=CC(=O)[C@H](C(=C)C=O)C[C@@]21C 169369933 GCAGMRISHGRVDH-IMFUAFRVSA-N 885.152 7.961 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@@]21C)C3(C)C 254088373 LKHIBBPOJARUFY-QRIUMHOXSA-N 968.182 6.765 50 1 KKGF CC(=O)O[C@H]1[C@H](Br)C[C@@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H]([C@](C)(Br)CBr)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C 299805936 FNYVFEZHSGPCEJ-YJQGRUAKSA-N 737.452 9.006 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4cn(Cc5cccc(Cl)c5)c5ccccc45)sc3c2)CC1 299865502 UBTDRHGBPUPISH-ATZGPIRCSA-N 571.150 7.340 50 1 KKGF Cc1c(F)ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587191745 WYPPBCATCRQZEE-YTDHDMEXSA-N 593.784 7.042 50 1 KKGF CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587198960 SCIJKVCVKHKFLD-RWYGWLOXSA-N 808.873 11.641 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587690135 ZKHHSWXCBRNFBE-HWRSSNJWSA-N 519.842 5.799 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)cc(C(F)(F)F)cc2Cl)N1 587710451 GLMGFYXUUPURKY-CQLKUDPESA-N 550.015 7.087 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OC(F)F)cc2)([C@H](Cl)C(=O)c2ccc(OC(F)F)cc2)N1 587717253 KXUYBLRVAXSISS-SHCDHWDYSA-N 604.797 7.059 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 587723112 VGLGWWYBJKCMHO-CQLKUDPESA-N 500.008 6.207 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@H](C)Cc2ccc(F)c(Br)c23)C1 587737878 HYCDJDLODKQLMX-FCDTWBHVSA-N 670.445 7.627 50 1 KKGF Cc1cc([C@]2(CCl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1CCc1ccccc1 962952414 HOCOGKNCZAGABV-MUUNZHRXSA-N 517.035 6.500 50 1 KKGF COc1ccc([C@@]2(CCCCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(OC)c1 963012046 IAFDRBRYPHNTFP-RNAHPLFWSA-N 567.469 6.253 50 1 KKGF CC(C)c1ccc([C@]2([C@H](C)Cl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C(C)C)c1 963579889 JRJRCQZQPNJUKQ-XSJBNIOMSA-N 622.131 8.476 50 1 KKGF CSc1ccc([C@@H](c2cc(O)c3c(c2O)C(=O)c2ccccc2C3=O)N(CCCl)CCCl)cc1 1857570288 GZBMMEGUWPSAKS-QHCPKHFHSA-N 516.446 5.464 50 1 KKGF Cc1c(Cl)c(=O)oc2cc(-n3cc(CO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)nn3)ccc12 1857749854 QETOXTNVAJKFEE-DCNJBOQASA-N 558.031 5.060 50 1 KKGF Oc1ccc(Cl)c(Nc2nc(SCCN3CCOCC3)nc3c2cnn3C[C@@H](Cl)c2ccccc2)c1 1857773700 UIJQBIDJNBKOKC-OAQYLSRUSA-N 545.496 5.333 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356369139 CMARFXFYMOGBLM-NKFWRKCNSA-N 780.059 6.032 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@@H]41 2356373942 KVYUQLUBYBPXHB-BLKHOVOXSA-N 920.296 6.229 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@@H]2[C@H]3CC[C@@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)CC[C@@H]6CCC[C@@H]6[C@@H]7CNC[C@H](C)O)c5)cc4CO)C[C@H](C[C@H]2N)[C@@H]3CC[C@@H]1C 2356441719 BQAHUNAVVLIDFT-VIDWXKQOSA-N 949.382 7.972 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)[C@@H]1O)C1(CC=C(C)C)CCCC1 2356515750 XZYMMLQWYKZGCV-XKURVFKSSA-N 540.785 6.140 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@@H](C)C(C)C)CC[C@@]4(O)C1=CC3=O 2356543245 MVYQDRXIUYDZFI-QCRSRBDLSA-N 894.294 8.805 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](c1cccc(O)c1)c1cc2cnc1N 2356632888 JSBSDRTYRLAMKE-BDWCUWSWSA-N 602.778 6.986 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356818470 DUGLNGJLZBMMFZ-VZYPOGDGSA-N 743.992 7.106 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5C[C@H](O)C(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@H](C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356823189 GJPNRCQZCZVKFP-YGLCWOEESA-N 899.186 10.753 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356851240 QFLIKEMRYNDTJF-LZQYGCEOSA-N 716.022 8.623 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)C2)CCCC1 2356853404 RGGYDAUWSVZBDX-KRXVZNHESA-N 732.025 7.284 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)CC5=CN[C](N)C=C5[C@@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@H]43 2356875196 OGXIZZLKAZKGBU-HXTGKINSSA-N 728.913 5.018 50 1 KKGF COC(=O)c1ccc(C(=O)c2c(SSc3c(C(=O)c4ccc(C(=O)OC)cc4)c4ccccc4n3C)n(C)c3ccccc23)cc1 27721631 QVVWIAHPRDHWQD-UHFFFAOYSA-N 648.762 7.505 50 1 KKGF O=C(NNC(=O)c1ccc(-c2ccccc2OCc2ccc(F)cc2)cc1)C(=O)c1c[nH]c2ccccc12 72173240 YYPBFHZVJXNKJQ-UHFFFAOYSA-N 507.521 5.197 50 1 KKGF COc1ccc(/C=C2\C(C)=NN(c3cccc(Cl)c3)[C@]23[C@@H](Cl)C(=O)N3c2nc3ccccc3s2)cc1 102957178 UEZXFIUUAOYLLH-HHCKSFNOSA-N 535.456 6.588 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1O 195511124 RDUNIJYOOPTOPY-YIPNQBBMSA-N 719.146 5.849 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@H]%11C[C@H]%10O[C@H]9C[C@@H](C)[C@H]8O[C@H]7C[C@H]6O[C@H]5CC=C[C@H]4O[C@H]3C[C@H]2O1 261183760 WTXGTTBOKVQBGS-DJIAJGHTSA-N 881.069 5.082 50 1 KKGF C[C@@H](NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2)C(=O)OCC#CCOc1no[n+]([O-])c1S(=O)(=O)c1ccccc1 299861119 KKTRYVKRKJDYMA-BFASAQIJSA-N 855.023 5.790 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055212 LANYZSXBJOEEMJ-NTEUORMPSA-N 554.197 8.123 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(I)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190164 IUQWOEAFDNMPLJ-UATTUGJOSA-N 687.663 7.199 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCl)(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)[C@H]1c1ccc(F)cc1 587325108 CCMNPTGRFQBQLZ-XTEPFMGCSA-N 503.913 6.600 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(CI)[C@H]4CC[C@@]31C)CC2=O 587469558 AODBRDJSDQZMSW-WYTFQJHMSA-N 632.579 7.358 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)CC2=O 587473127 XKLASORGXHQPQN-SANMLTNESA-N 575.830 6.281 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCCO2 587687512 HBJMRCQXHUMEEY-HWRSSNJWSA-N 519.842 5.784 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2c(F)ccc(Br)c2Cl)N1 587723110 VGFZHBVCGJRBRU-RBHXEPJQSA-N 544.459 6.316 50 1 KKGF Cc1c(Cl)cccc1Nc1ccccc1C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 618007979 PCFRQKNGYBLZCO-UHFFFAOYSA-N 535.179 5.303 50 1 KKGF Nc1cc(S(F)(F)(F)(F)F)ccc1[C@]1(c2ccccc2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698632 NIZZXGWSYAOYRI-IRLDBZIGSA-N 556.450 6.975 50 1 KKGF Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2[C@@]2(CCC3)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962949995 DGGJUNGQHLIOGK-GIGWZHCTSA-N 521.583 5.806 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]12CCCC1=C2[C@@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 963142022 LLMMBODMFLHBEP-GGZJYHEGSA-N 589.501 5.837 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21C=C2CC[C@H]3[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@]3(F)[C@@]2(C)CC1 963853190 FMLRRNCYBANKJC-RLPIBJSWSA-N 730.314 7.161 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCCCCCCl)(c2ccc(C)c(F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939603 YNSRLGNHHKMVBM-IEJXIETQSA-N 716.385 7.704 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)([C@@H]2C[C@H]3CC[C@H]2C3)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963947610 OHNKCUIGWLEMAV-IYSBBSGGSA-N 632.292 5.694 50 1 KKGF C[C@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857595796 WGRWGZGAFAYEGT-INIZCTEOSA-N 549.427 7.863 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356393935 YGKXZBWHQCIKTG-QMKUOFDKSA-N 698.995 9.856 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(OC(C)=O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@@H](C(C)(C)OC(C)=O)O1 2356551019 XAJJUEHMJGKPKD-VVKJQAGNSA-N 731.762 6.896 50 1 KKGF CNCC(CNC)Oc1cc2c(cc1O)CSSC[C@@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@@H]4COC(C)=O 2356563619 KUMNHAHFQRFUCR-MYBOZANMSA-N 638.808 5.275 50 1 KKGF CC[C@@H]1CCC[C@]12CC[C@H](Oc1cc3c(cc1O)[C@H](CCO)SSC[C@H](O)[C@H](Cc1cc(OC)c(O)c(OCO)c1)[C@H](O)C[C@@H](OCO)CC3)C2 2356722511 JPQDWGWTKYSXHG-PDTILGHUSA-N 752.989 5.620 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356776802 WUKDMOUXHCBPFY-NAZXIBKNSA-N 777.100 6.312 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356777933 HTNIGBCMNWCNGU-XCTVCUCXSA-N 725.027 6.099 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@@H](C)CSSCNC7=CC(=CCN7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356816951 DFRSNKGURACAPS-APTOPNHOSA-N 686.984 8.767 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@@H](CO)CCCO)CCCCC6)c(=O)oc5cc1O2)[C@H]43 2356845225 OCPCUFHVVUVWDN-UBZIMRTJSA-N 929.215 5.751 50 1 KKGF COc1cc(/C=C2\CC[C@H](C)C3=C(c4cc(OC)c(OC)c(OC)c4)C(C#N)=C(N)O[C@H]32)cc(OC)c1OC 1652454 BIYWMOLCMUADFB-SNKWQECOSA-N 534.609 5.098 50 3 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)O[C@H](C)c3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC 26499142 FHDDYKPUFWIFHH-WIYYLYMNSA-N 659.095 7.548 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC 26502721 QBXGPDHONUGPPB-HXUWFJFHSA-N 645.068 6.987 50 1 KKGF BrCc1cc(CBr)cc(-[n+]2ccc(-c3cc[n+](-c4cc(CBr)cc(CBr)c4)cc3)cc2)c1 49777246 LRHOXHGOQVRPQJ-UHFFFAOYSA-N 682.092 7.487 50 1 KKGF CN(Cc1ccc(/C=C/C(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)cc1)Cc1ccc([N+](=O)[O-])n1C 73224639 FNWWIOIFJWSBQR-FZNBYNMYSA-N 544.055 5.683 50 1 KKGF CC(C)=CCCC(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@@]2(C)O)[C@@H]1O)=C1CCCCC1 85544577 WOJVNVSKJVYLBI-TZEHZZJFSA-N 578.834 6.697 50 1 KKGF biogenic,in-vitro CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSSC[C@@]3(CO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 85597210 VVIBUPALDZALMU-VXIOKUEKSA-N 711.899 6.526 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1cccc(CO)c1 85597385 BGGNTKRHHFGOTB-WOECBSFMSA-N 673.897 8.068 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@H](CSCCCCCSC[C@@H]3C(=O)O[C@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253687360 IYYRWMHGTXIFHA-URMHMZSBSA-N 696.925 6.400 50 1 KKGF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586916710 NNUMJJIPLJTZKS-DJJJIMSYSA-N 511.310 7.199 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3ccccc3OCc3cscn3)nc2c1 587029557 PVYGVIKKLZSQIO-UHFFFAOYSA-N 512.323 7.685 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587072171 WVVONYFWJINDCB-UHFFFAOYSA-N 539.751 8.882 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 587325656 GKRRIUHBYLUPBT-PXJZQJOASA-N 519.956 6.161 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587327748 HGWYNDJHXCMMTH-IFMALSPDSA-N 513.256 6.339 50 1 KKGF COc1cccc(-c2cc(-c3cccc(S(=O)(=O)N4CCN(C(=O)CCl)CC4)c3)nc3c2oc2ccccc23)c1 587366496 RSZOHNGPPFLJRH-UHFFFAOYSA-N 576.074 5.395 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 587544023 DHXPBJCRFJELJM-SHQCIBLASA-N 527.926 6.914 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](/C(C#N)=C/c2c[nH]c3ccccc23)(c2ccc(O)c(O)c2)N1 587803317 OWENRKRPCMYNOX-SMCQNPLSSA-N 518.386 5.866 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCCl)(c1cccc(OC(C)=O)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962667093 BMGCTSJOIDZHDP-SSEXGKCCSA-N 590.038 6.999 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]1(CCCCCCCl)c1cccc(C(F)(F)F)c1 963152344 UHSBACKTZYZMHO-YADARESESA-N 547.039 6.841 50 1 KKGF CCCCCCCC[C@@H](Cl)CCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772618513 IWIZOMWAHIZTOM-YGXIUITMSA-N 675.819 9.352 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356360553 IRYNUMWWXVTTHH-GTJSBMNHSA-N 769.087 7.343 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@]6(O)[C@H](OC)C=C(O)[C@H]6[C@H]4[C@@]35C)C[C@H]1C2 2356369085 PYUMAYNGEOTZNK-SVFIKMOYSA-N 625.941 7.167 50 1 KKGF CCC1=C(C=O)C2=NC1=CC1=NC3=C(C4=NC(=CC5=NC(=C2)C(C)=C5C)[C@H](C)[C@@H]4CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@](O)(C(=O)OC)C(=O)C3=C1C 2356422133 GLAOJBLMSMCECB-MHXOSWDISA-N 887.175 10.731 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356456838 SAAHHDXWOUZPPE-TZGHSUADSA-N 918.316 8.971 50 1 KKGF CC(=O)O[C@]1(C)C(=O)O[C@H]2C[C@H]1C[C@@H]2[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@H](OO)C1=C(CC3)C(C)(C)OC(=O)C=C1 2356489003 GOYJHQBWJDXLDK-ZFMQTERASA-N 554.680 5.613 50 1 KKGF CC(=O)O[C@@H]1CC(C)(C)[C@]2(C#CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O)O[C@@]2(C)C1 2356669181 PRMVHLYTIYMENC-KLRQTDGLSA-N 654.888 7.915 50 1 KKGF CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@@H](O)CSS2)c1ccc(NCC(C)=O)c(CO)c1 2356710843 XHKHKSSXYJREOX-CZRUCBRXSA-N 760.975 7.212 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(CCC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356735645 ATLHDMJMMBWTEW-GLLPKELKSA-N 912.265 8.232 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3C=CC[C@@H](CC[C@H]4Cc5c(c(OC)cc6c5[C@H]1[C@@H](O)[C@H]2O6)-c1ccc(O)cc14)C3 2356753950 QZYOKYZZNZSPPP-BHUQZZGGSA-N 670.849 7.447 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSCCCCCC[C@@H](O)C1 2356757013 MWDAWRUNVFLIJY-GTGTYYMYSA-N 915.320 10.314 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@H]5CO)[C@@H]2O)c1O 2356773945 MYEYQYFZQQAUKG-XIWDDZBPSA-N 754.964 7.514 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356840103 DVNAEYOYZZALSX-PXGQFBPNSA-N 742.984 7.268 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC2 2356866654 VOEKTCBMXBYCFH-LWLRJYBESA-N 776.078 5.772 50 1 KKGF Cc1ccccc1NC(=O)Nc1ccc(CC(=O)NN(CC(C)C)C(=O)N[C@@H](CC(=O)O)c2ccccc2)cc1 3930447 YTHUVUAIORRJIB-SANMLTNESA-N 545.640 5.096 50 1 KKGF CN(C)c1ccc(/C=N\c2ccc(SSc3ccc(/N=C\c4ccc(N(C)C)cc4)cc3)cc2)cc1 18059350 HKOMVPIVHSPJQP-RYJWMXFHSA-N 510.732 8.119 50 1 KKGF Cn1c(SSc2c(C(=O)NCc3ccc(C(=O)O)cc3)c3ccccc3n2C)c(C(=O)NCc2ccc(C(=O)O)cc2)c2ccccc21 27730921 DNHRXRSIPPWDII-UHFFFAOYSA-N 678.792 6.726 50 1 KKGF COc1ccc(CCn2c(C(=O)NNCCc3ccc(O)cc3)c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c32)cc1OC 28462878 GANFLDQAOJAGBC-UHFFFAOYSA-N 723.779 5.892 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3/C(=N/NC(=S)NC4CCCCCCC4)C=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 44351568 CTRJSLTUVUNVPO-XQGPDJEYSA-N 602.417 10.178 50 1 KKGF CC(C)(C)N(C(=O)c1cccc(Cl)c1)N(SN1CCN(Cc2ccc(Cl)nc2)/C1=N/[N+](=O)[O-])C(=O)c1ccccc1 103207748 HLEXJLPBCXYLLJ-ZXPTYKNPSA-N 616.531 5.615 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@@H](C)CCC(=O)O)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCC[C@@H]1C)OO3 139121699 IHRXEWZCLBMYTC-XVVMYXSVSA-N 634.807 6.742 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(CC)CC1)OO2 299847899 XFDCBCFZIFCDGE-QYIYQONISA-N 689.931 7.574 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586974283 UVRVFNRFYAGYOE-ZDUSSCGKSA-N 520.324 7.020 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(F)cc1 587319277 AYNIKOWMWQEGAL-XRKRLSELSA-N 533.393 6.760 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587541487 BYTQHZNKYCOPIL-VAVYLYDRSA-N 546.362 5.673 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 587677755 IRMQHAOWQASFSA-CFMSYZGJSA-N 515.604 5.343 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 587683145 OAYBYMBGCJUQAV-HUTHGQBESA-N 517.053 5.496 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)[C@@H](C)Cl)cc12 587686317 CKBHCOHZAMYOFZ-DFMVQKSTSA-N 562.266 6.178 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Br)ccc2F)N1 587719535 PVGLDTJGZIGIAT-HUTHGQBESA-N 510.014 5.663 50 1 KKGF CCOC(=O)/C(C#N)=C1/Sc2c(N(CCOC)CCOC)nc(C)nc2N1c1ccc(C(C)C)cc1Br 653737470 GXFAVWFPJPHGAH-NCELDCMTSA-N 590.544 5.312 50 1 KKGF CCC(=O)N1CCc2cc([C@]3(CCl)c4ccccc4C[C@@H](C(=O)O)N3C(=O)c3cc(Cl)c4c(c3O)C(=O)O[C@H](C)C4)ccc21 962965995 JNPCRPGSYYSVBR-GDIRNEDPSA-N 637.516 5.080 50 1 KKGF CC(C)(C)[C@@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963088620 DFOBCGLILOYNPW-BZKUTMRRSA-N 524.104 7.470 50 1 KKGF COc1cc2c(cc1OC)[C@](c1cccc(Br)c1)([C@H](Cl)C(=O)c1cccc(Br)c1)N(C(=O)c1ccccc1N)CC2 963140076 MIYOPRAMUHFING-XLJNKUFUSA-N 698.839 7.243 50 1 KKGF CC(=O)N1CCc2ccc(C(=O)[C@H](C)Cl)cc2[C@]1(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)NCCc2ccccn2)c1 963549018 IKHZESHABXXKBZ-WEZXKFLESA-N 623.075 5.908 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963807631 KSMVWVBQXHVYDF-PGUFJCEWSA-N 648.106 6.944 50 1 KKGF O=C(Nc1nccs1)c1cnc2c(SSc3cccc4cc(C(=O)Nc5nccs5)cnc34)cccc2c1 1772646859 IXVAQLGAEXIKGT-UHFFFAOYSA-N 572.722 7.000 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cnc3ccccc3n2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 1857561113 CKPJCFKFLBFNMI-BHEYQVLISA-N 625.549 5.790 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CCC(=O)N[C@@]2(C)COC(=O)CCCC[C@@H]2CCSS2)[C@@H]1/C=C/C1=CCOC1=O 1857565909 KSKACYQALUPWSV-QDHZSKGMSA-N 533.756 5.541 50 1 KKGF C[C@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857583957 QCOLGJGBPVVHEX-INIZCTEOSA-N 523.414 7.770 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](Cc2ccccc2)SSC1 2356292204 FAOYHQYZNYHHSH-LQBHKMHESA-N 602.822 7.701 50 1 KKGF C[C@@H](O)CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356300254 MOCDIBJPLVUFDB-GKVAPROASA-N 848.144 8.957 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCO)[C@]42CC3=O 2356350356 AQTFHYRYBXDDQP-QXRHYQEKSA-N 519.821 5.961 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356431424 QJJIATHLYNFESK-HKVDKFPVSA-N 825.188 7.532 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSSCN[C]6C=C(C=CN6)[C@@H](CCCO)C3=C4C(=O)O5)[C@H]21 2356816851 ZQMICJAJYDRMBB-XZCKFQIOSA-N 635.872 6.587 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](OCCO)CC[C@H](NC[C@@H](C)O)C1 2356819566 FCZKGQDGEVIGJR-MFXHAJBTSA-N 921.280 5.300 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@@H]1C[C@H]3C=C[C@@H]1C[C@H]3[C@@H](O)CC(=O)CC2 85597428 AZHHIJCRZPADGX-QZTDFMLPSA-N 548.726 6.655 50 1 KKGF biogenic,in-vitro C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OCCNC(=O)CCCc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C 95607600 NXUMPCNHCFUSHW-PMLSNCFUSA-N 828.985 6.845 50 1 KKGF CC(C)(C)OC(=O)NCCOCCOCCOc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2cccs2)cc1Cl 95872934 KPVVJDZADXTVHP-PMERELPUSA-N 694.678 6.010 50 1 KKGF C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@@H]3CCSS3)[C@H](OC(=O)CCCC[C@H]3CCSS3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 96924246 SBNMURCHMDQKIX-WLTNAGIZSA-N 709.074 9.298 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 150348645 MCYKBDVRSZIFSV-GLRPOUIJSA-N 905.285 8.520 50 1 KKGF biogenic,in-vitro O=C1[C@H](Cl)[C@H](c2ccccc2O)N1c1ccc(-n2c(Cc3ccccc3Nc3c(Cl)cccc3Cl)nc3ccc(Br)cc3c2=O)cc1 150586960 BVGVNHKJQROPOL-CWTKIQHKSA-N 746.876 9.190 50 1 KKGF Cc1cc(Br)ccc1/N=C(\OCCN1C(=O)c2ccccc2C1=O)SS/C(=N/c1ccc(Br)cc1C)OCCN1C(=O)c2ccccc2C1=O 150606321 QYJUYCVGUAYCSA-MBIPSJRMSA-N 836.584 8.511 50 1 KKGF CCCCCC[C@@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621809 PWBCODFOAWWVMF-SSSFQFABSA-N 709.406 8.079 50 1 KKGF CCCC[C@](C)(C/C=C/[C@@H]1[C@@H]([C@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C 195419982 CDLLQQUCUNYKKE-XKZNAUPASA-N 584.987 7.813 50 1 KKGF CCC(=O)OC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@H]4CC[C@@]3(C)[C@]1(C)CC2 299807756 HWQAADDMJATBGE-PEZLZHRDSA-N 514.791 7.565 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=Cc6nc7ccc(O)c8c7c(c6C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CCl)O1)-c1ccccc1C8=O 586987503 XJNMQPOLHVIRNZ-ZVBIADQUSA-N 658.166 6.705 50 1 KKGF Fc1ccc(/C=C(\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2cccs2)cc1 587164725 VQKWFCQCLPDVGQ-ZSOIEALJSA-N 525.337 8.772 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)[C@@H]1c1ccc(F)cc1 587319523 BZFFRNXPWBPDNI-ILBGXUMGSA-N 528.761 6.489 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2ccc([C@@H](C)CC)cc12 587642312 MTPXYRQIXLLVDN-ZUTXTACCSA-N 654.219 7.591 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(Cl)cc2)([C@H](Br)CC(=O)O)N1 587669534 DVXCKHUBZLICBG-KRNUTZAJSA-N 505.609 5.258 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)CCl)c(Cl)cc12 587683946 ILRTVTQYHFDUFP-YDBLSZJJSA-N 548.239 5.789 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 587734068 MTZNAWLRNUOKEP-DLUDVSRJSA-N 501.802 6.892 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1ccc(C)c(C)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678146 PVFLGBDOGQQNHY-MHZLTWQESA-N 517.975 6.520 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CCCCl)(c2ccccc2C(F)(F)F)N1 963166477 XKURMOAVMDNNGY-UNVMMQEESA-N 670.175 8.248 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(c1c(C)cc(C)c(C)c1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963727389 CLSVZAYPHZDQQH-JGCGQSQUSA-N 545.079 6.169 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C)c(Cl)c1)([C@H](C)Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809542 XNEBWPUCSFNDLA-YVGXBJCXSA-N 595.921 6.442 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCCCC 1857610083 YFLSUEDVYRAUSR-PWOCEFKDSA-N 659.944 9.660 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(NC(=N)N)CSS[C@H]4C(O)O)O[C@H]21 2356317023 KQNHDYCFVCTSBL-BAJVBOGDSA-N 837.030 5.106 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@@H]1[C@@H]1C=C(C)CC[C@H](Cl)[C@@]3(C)CC[C@@H](O3)[C@@](C)(O)C[C@H](O)C1=C(C)C2 2356383864 BEJASAFEMXKLJK-DXUHDWOQSA-N 719.400 7.492 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](C2CCCC2)Cc2cccc(c2)C1 2356429567 ABNPPIOWWRSWNX-PKJPVOBHSA-N 729.059 6.713 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC4CCCCC4)C3)c2)N1 2356497466 OOMSMBZLGLKHGA-YFWTXASUSA-N 865.216 8.998 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OC)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@@H]1CCC(C)C 2356650690 NTTKUJPMMABMKK-FRCVYTGYSA-N 782.075 5.991 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356735800 ROXMFOMYRUUOPK-YPUFWRLCSA-N 917.336 10.751 50 1 KKGF CCCCC1=C(Br)[C@@]2(OC1=O)[C@@H](Br)[C@@H](Br)[C@]21OC(=O)C(CCCC)=C1Br 2356754079 DFESJTKMRBQMAZ-PURYLZLUSA-N 619.970 5.797 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356774306 VAFCTJSFDHSEEW-CSKWGHAOSA-N 657.936 6.583 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)coc5c4)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@H]2c2cc[nH]c2)c2ccccc21 2356831481 JPMWLUMCVKEGBM-OUTPKWKASA-N 896.097 6.874 50 1 KKGF C[C@]1(O)[C@@H]2CC[C@@H]3[C@H](C[C@@H]4[C@@H]3C[C@H](O)[C@@H]3C[C@H](O)CC[C@]34C)[C@@H]2CN2C[C@H]3CC[C@H](CC4(c5ccccc5)CCCCC4)c4ccccc4CSSC[C@@H](C3)[C@@H]21 2356834156 JZYITSDZGPYFIX-CWBPFGHZSA-N 798.256 10.636 50 1 KKGF CNC[C@@H]1C[C@H]2C=C[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCC4=C(N)N[C@H](Cn5cc6cc[nH]c6c5)C=C4[C@H]4C=C(C=C(N)N4)CC[C@@H]4O[C@@]24C(=O)O[C@@H]13 2356835536 KSPCNXCOBMZBCX-CZJPTNJISA-N 892.117 5.448 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@H](O)C2CCCC2)C1 2356849333 PVGARCAGUXLKTO-CAEUEKNASA-N 903.265 5.818 50 1 KKGF C[C@H](O)CN[C@@H]1CC[C@H](O)[C@@H]2[C@H](C#C[C@H]([C@H](C)Cc3ccccc3)C1)C=C[C@H](c1ccc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)c1)C[C@H]2O 2356851637 QIBJWCHHQXXEQM-NTWBCHCRSA-N 913.260 5.800 50 1 KKGF Clc1ccc2c(NCCNC3CCC4(CC3)OO[C@]3(c5ccccc5)CC(c5ccccc5)=C[C@@H]3O4)ccnc2c1 14140315 HDZDLBNQQBBREK-WAKVNEQQSA-N 568.117 7.258 50 1 KKGF COC(=O)N(NC(=O)c1c(CN2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2c(F)cccc12)c1ccccc1 36311271 KQNYTTDHCMFOME-UHFFFAOYSA-N 569.681 5.875 50 1 KKGF in-vitro C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 73273411 DFPBBOCDGYBNBR-UFIYBCBBSA-N 550.689 5.419 50 1 KKGF O=C(CN1CCN(Cc2ccccc2F)CC1)N[C@@H]1C[C@H](Cl)c2c(Br)sc(Br)c21 89468948 MMFTXPRJSWYVPA-DZGCQCFKSA-N 565.734 5.071 50 1 KKGF S=C(SSC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 98084228 JRAFWXLDEKAPQP-UHFFFAOYSA-N 612.526 7.196 50 1 KKGF C=C(/C=C/C=C1/[C@H](O)CCC[C@H]2C[C@@]3([C@H](CCCO)/C(=C(\C)C=O)CC[C@@]3(C)O)[C@H](O)[C@@H]12)CCC=C(C)C 103525714 FXONYYPUHYUIQH-BFMMMZFRSA-N 526.758 5.749 50 1 KKGF biogenic,in-vitro C=C(c1ccc(F)cc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 169313911 NYZKUKCTBCLVRV-LESVELMZSA-N 566.842 10.004 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@]34CC[C@@H](C)CO4)C2)OO1 169355522 UXWIVRBMVBCLQU-NXNHSCKBSA-N 552.752 6.969 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)=NNC(=O)c3ccncc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169365618 JWAZIMWTIRSONC-DKPASNLNSA-N 709.881 6.449 50 1 KKGF CCCCC/C=C\C=C\[C@@H](C/C=C\C/C=C\CCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1)OO 169621348 JLEGGACLWZYPAC-WVSDVTPNSA-N 705.121 13.553 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](OC(C)=O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1O 195439664 IVOZNRUSUITGAP-MWTXHCMUSA-N 506.756 5.563 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@@H]5C=C[C@H](O)[C@H](C)O5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299811869 BVRIJFRDMCDGFG-JJLTYKBQSA-N 937.049 5.464 50 1 KKGF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586945903 OCBLUPAUKGCSKI-UHFFFAOYSA-N 510.304 5.600 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc3c2C(=O)[C@H]1[C@@H](c1ccc(O)cc1)O3 587285637 IWNCUMKLVLQAGC-NUDMSCLTSA-N 753.683 5.404 50 1 KKGF CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587542568 HMDSYZSZEFTEIH-JOMNFKBKSA-N 509.989 7.130 50 1 KKGF CCCC[C@@]1(Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@]2(CC[C@H](C)[C@@H](C/C=C(C)/C=C/[C@H](O)[C@@H](C)/C=C\C(=O)O)O2)O[C@H]1/C=C/C(C)=C/C(=O)O 587941922 ZCDJASNBFPQDCD-DCPRNRNJSA-N 768.348 7.827 50 1 KKGF FC1(F)Oc2ccc([C@@]3(CBr)c4ccccc4C[C@H]4CN(c5ccccc5)CCN43)cc2OC1(F)F 962629723 CELVEKLMDYOWSK-OFVILXPXSA-N 563.389 6.029 50 1 KKGF Cn1cc2c(nc(=NCCOOCCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)[nH]1 1772643526 BDNJBXHTEAPNTP-UHFFFAOYSA-N 775.804 5.102 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1 1772651195 XKDMUXOYTMVTBO-BWCXUQMYSA-N 543.454 6.322 50 1 KKGF CSc1nc(N(C(=O)OCCN2CCN(C)CC2)c2cccc(Cl)c2)c2cnn(C[C@H](Cl)c3ccccc3)c2n1 1772652431 PHZNEXIQOLYTSB-DEOSSOPVSA-N 600.576 5.704 50 1 KKGF O=C(N/N=C/c1ccc2c(ccc[n+]2Cc2ccccc2)c1)c1cccc(C(=O)N/N=C/c2ccc3c(ccc[n+]3Cc3ccccc3)c2)n1 1857588463 RDUDZOSUNDIGEW-RFCNWNEUSA-P 655.762 5.587 50 1 KKGF CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/NC(=O)CN5CCN(c6ccc(C(C)(C)C)cc6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C 1857626960 QXKBMAQOHBGXQT-DCJXBVRDSA-N 998.184 6.324 50 1 KKGF CCCCCCCCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c1 2356334882 OTVIJJKBILNRLT-PLIQBIIRSA-N 599.293 7.964 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@H]6C[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC7=CC[C@H]6C[C@H]7SS4)[C@H]5[C@H]2O)O3)c1O 2356677826 JZVZKBRBOAYSOT-HJZWHNFWSA-N 909.223 9.162 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356702846 VWTHUPHZZBEJGK-OTRJSTQCSA-N 744.127 6.524 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 2356766576 PIUVILCNMLVVPT-PTVKQMBDSA-N 664.842 6.881 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@H](C6CCCC6)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(C)=C2OC)[C@@H]5C)c1 2356822892 GGSRNDDOYNSNRA-LZGRIACTSA-N 840.249 11.526 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356826955 HLYLJCVMIVHGHV-HYSAGDLFSA-N 851.193 7.140 50 1 KKGF CNC[C@@H]1CC[C@@]23O[C@@H]2CCC2=C[C@@H](NC(N)=C2)C2=C[C@H](Cn4cc5cc[nH]c5c4)NC(N)=C2CSSCC[C@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@H](C1)[C@H]2OC3=O 2356836410 LAMQAOIHQNKEBM-DUEJIHJMSA-N 868.095 5.426 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356844066 SYWKOGGYMMZLJP-STERGPOCSA-N 822.131 6.390 50 1 KKGF CSc1ccccc1/C=N/NC(=O)c1cnc2c(C(F)(F)F)cccc2c1N[C@@H](CSc1ccccc1)CC(=O)N(C)C 49746075 PVQNJVFARQCDJO-SMUBEWFASA-N 625.742 6.791 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)c1ncnc(N=C=S)c1[C@H]2c1ccc(Cl)cc1 64564749 AHVWLSFZYGKDDL-NRFANRHFSA-N 552.081 5.439 50 1 KKGF Cc1cc(N/N=C/c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ccccc2n1 103203148 WZVHVYABNBLYPV-HFNBMXKMSA-N 543.664 6.576 50 1 KKGF COP(=O)(OC)C(C)(C)C/C(C)=N/N=C1\C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)N/N=C(\C)CC(C)(C)P(=O)(OC)OC)[C@@H]2CC[C@@]1(C)C3 206461795 ULZKFEBENZIBNB-AWPFONKMSA-N 726.877 9.408 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCC/C(Cl)=C\OS(=O)(=O)O 253665227 ACRMTHSZHIGDGF-XZKAXASKSA-N 655.380 9.155 50 1 KKGF CCCC[C@H]1CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)[C@@H](CCCC)CCC[C@@H](Cl)C[C@@H](OC)c2cc(O)c1c(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c2 255288070 ZYGXVSICEXXAKB-HFFFYWSISA-N 978.010 5.427 50 1 KKGF Oc1ccccc1-c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c2cccc(Cl)c2n1 587081981 BEUMYKSFYAOYBT-UHFFFAOYSA-N 576.772 9.224 50 1 KKGF CCOC(=O)c1cc(-c2ccc(F)cc2)n(CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C 587165610 GCFUOUUBPTYNBH-UHFFFAOYSA-N 596.391 8.318 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc(/C(C#N)=C\c4ccc(C)cc4)[nH]c3cc21 587187413 HECADUMFOCOLCX-ITYLOYPMSA-N 623.757 8.196 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(F)cnc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191964 ZVCNGSOBDMFDQH-BBURBPSPSA-N 659.641 6.891 50 1 KKGF Cc1cc(C)cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 587328400 UFWBFLJIRLYOFO-MFMCTBQISA-N 504.001 7.049 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)([C@H](Br)[C@@H](Br)c1ccccc1)CC2=O 587453080 PAVCZYBANPQBLD-SKBVVQJISA-N 544.283 7.105 50 1 KKGF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)CC[C@@H]1O[C@]3(CC[C@H](C)[C@H]([C@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](OC)[C@H](OC(=O)C[C@@H](O)C4=C(C)C(=O)OC4=O)C(C)C)O3)CC[C@H]1C)CC2=O 587487156 YUDHGVVSLHFCBK-HWCBRDOISA-N 943.181 7.279 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(N=Nc3ccccc3)cc2)N1 587672910 IUVIMDOYNAWIPR-WNSKOXEYSA-N 517.240 7.176 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587845492 AZJXJFUSAHEGGD-HEIROHQZSA-N 560.491 7.204 50 1 KKGF C[C@@]1([C@@H](Br)Cc2c(F)cccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963104498 UUDFIDRQCQBIAL-IWQNTTPNSA-N 652.579 8.490 50 1 KKGF O=C1c2ccccc2[C@]2(c3cc(CCl)ccc31)c1c(cc([N+](=O)[O-])c(O)c1[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963213852 IDBAKCSZTMDWMK-GSSDHLSPSA-N 732.101 7.044 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2ccc(F)c(F)c2Br)N1C(C)=O 963314995 AJQBEPGQTJHPDC-AIQWNVMPSA-N 867.516 6.169 50 1 KKGF CC1=C(C)[C@]2(OO)O[C@](C)(C[C@H]3c4c(C)c(Br)c(C)n4[B-](F)(F)[N+]4=C(C)C(Br)=C(C)[C@@H]34)CCC2=C(C)C1=O 1857655867 QBRBMZPNQXRFMV-PFLPKTOKSA-N 658.187 7.093 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356321633 GQZGNRFZYWIVHF-QKJJUMKBSA-N 700.020 6.537 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c3c(c2)O[C@@]2(CNC)C[C@@H](CC#CO3)[C@H](CCOC)C2)N1 2356356012 XWPNYGPZELQCAG-BXGBEUNVSA-N 763.039 6.971 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC6(CCCC6)[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356368643 RDLHNLNMBHJKRQ-CAUOPLFNSA-N 991.454 12.291 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OCCCO)C(=C2CCC(=O)[C@@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356374127 OCUAAQRJZXLMJX-KLQZUTETSA-N 715.840 6.145 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSCC6(CCCCC6)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@@H]41 2356449265 HEKMSWFVVODRDD-HMJHQUJMSA-N 866.204 5.059 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356488163 BEISPNOEMNORKO-BQMPNUCOSA-N 851.097 6.719 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(=N)O 2356516069 KQQDTKLGLAIGOF-PCMOUXJMSA-N 808.668 11.832 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](OCNCCc1ccccc1)CC(=O)CC2 2356668648 XFYFCCDWVGORMJ-LOYHVIPDSA-N 647.859 7.030 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356760308 WXQVGGRUYWUPNJ-AFUJSRCVSA-N 925.305 7.444 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC2(CCCC2)[C@H](c2ccc(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356779528 VAUAYSYPOZVOEG-WLBXEJSFSA-N 559.794 7.392 50 1 KKGF O=C[C@]12OCSSC[C@H](C3=CCN=C3)[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)CNC[C@]1(O)[C@H](Oc1ccc3c(c1)OCC(=C1C=CC(O)=C[CH-]1)C3=O)O[C@@H](C(=O)O)[C@H]2O 2356869215 XJKBNUFXGHEQJS-HUJXOWCASA-N 894.057 5.644 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@@H](Cl)[C@H]4c4ccccc4O)n3)cc2)ccc1Cl 5579464 YJVKYMHMLRIJPY-XZOQPEGZSA-N 576.483 5.674 50 1 KKGF O=C(CCCC[C@H]1CCSS1)NCCCCCCCC/N=c1/c2ccc(Cl)cc2nc2n1CCC2 40880253 FXVZHGQXWALIBO-XMFKQGHQSA-N 535.223 6.708 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSSC[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 85571161 YGKXZBWHQCIKTG-CBKMPDQISA-N 698.995 9.856 50 1 KKGF biogenic,in-vitro C[C@@H](NC(=O)c1ccc(O[P@@](=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95550072 KEOOLQDMCOPPKK-XZMBHXSHSA-N 750.229 7.696 50 1 KKGF COc1ccccc1OC(=O)[C@H](C)Oc1ccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 103181951 ZYFZPYIXAPQMBK-HMVCRXQJSA-N 554.636 5.655 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)Oc2c1c(C)nn2-c1ccc(F)cc1 103950303 FHQXNSOJDHPYCF-SFHVURJKSA-N 524.358 5.065 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1/C=C(\C)CC[C@]2(CC(=O)N[C@H](C)c3nc(cs3)/C=C\C=C/C1=O)[S@@](=O)SC(=O)[C@]2(C)O 169306316 JFEMHRLBYMSHKB-PHWMSFFDSA-N 749.074 8.409 50 1 KKGF N=c1ccn2c(n1)O[C@@H]1[C@H](OC(=O)CCCCCCCCCCBr)[C@@H](COC(=O)CCCCCCCCCCBr)O[C@H]12 169332169 OBNMXRXEVOWVDH-BBAUSIIJSA-N 719.556 7.288 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H](c1cnco1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195351957 KPBVWWBWWNWKKW-WNJJXGMVSA-N 562.868 9.859 50 1 KKGF C=CCON=C(C[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 254096553 WGDOECSYODBCCA-DJJQDHGBSA-N 631.807 6.436 50 1 KKGF CC1CCC(NS(=O)(=O)Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 586952809 MEDIRLRLWXYDAH-UHFFFAOYSA-N 512.364 5.981 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(Br)c(O)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056776 RHHVWHIUTDXUBN-ZROIWOOFSA-N 502.199 6.810 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191788 XQHCBINSPZRNSC-ZHRULWDUSA-N 641.756 6.916 50 1 KKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587323801 MRIWOXKNXQKBHG-BKHJTQGXSA-N 518.968 6.783 50 1 KKGF O=C1C[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)Oc2c1ccc1c2CCCC1 587500569 SLVMXIMBUKXMIN-SANMLTNESA-N 516.262 7.676 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(/C(C#N)=C2\NC(C34CC5CC(CC(C5)C3)C4)=CS2)N1 587859457 WVGAGBVRKIJPNR-QBCPECRZSA-N 548.953 6.686 50 1 KKGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(Br)c(F)c2CBr)N1 962695994 FEERZEBPTNDMNO-GOEBONIOSA-N 529.097 5.329 50 1 KKGF CN1C(=O)C[C@H]2CN[C@](CCl)(c3ccc(Cc4ncc(C(F)(F)F)cc4Cl)s3)c3cccc1c32 963018860 CUKHPOBTLJKVPC-NPMABZOXSA-N 526.411 5.942 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](c2cccc(Br)c2)([C@H](Cl)C(=O)c2cccc(Br)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963225609 ANXJXZGMOIVOAT-FBVZALPBSA-N 891.909 8.728 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccn2C)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]21C 1857621991 ISKQMPRXCVXJIK-JZGWSJPPSA-N 576.517 5.186 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccccc4Br)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccccc4Br)cc23)cc1 1857755656 FUHWMALIDMMHKR-UHFFFAOYSA-N 880.692 8.926 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O 2356313749 XLWXSJGQPGEKIK-HNJLOKCFSA-N 688.828 5.645 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4cccc(CCO)c34)CC[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356349380 DKOCTZIMLNRUQC-ZUOVKSIRSA-N 962.244 7.947 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CCCC7(CCCC7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356349940 RCJMDXUTXNHZSH-GKVLAZHFSA-N 936.295 5.720 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356364601 ZNFDPSHWAGMTAU-RGFFPSJXSA-N 931.227 8.420 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356368575 MNDPPNUNOUVVQQ-PKUYZSHJSA-N 964.396 8.971 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@@H]4O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@H]3C[C@@H]2O1 2356396531 NQICGQXVXIAURW-GIJZDARCSA-N 853.059 5.561 50 1 KKGF C=C(CO)OC(=O)[C@@H]1[C@H](OC(=O)C(=CCCC(=CCCC(C)=CCOC(C)=O)COC(C)=O)CCC(=C)C(C)C)C(C=O)=CCCC(C)=C[C@@H]2OC(=O)C(=C)[C@H]12 2356497630 TZGZNDAKBYDMIJ-SXXQQZPASA-N 778.936 7.005 50 1 KKGF CC(C)=CC[C@H](CCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=C[C@H]([C@H]1CC(C)(C)OO1)C(C)(C)O)C(C)(C)O 2356514735 LTZKXZZQHUUMDI-IUAJQGRFSA-N 739.138 13.411 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)CNCC 2356717223 KOONJTGWWJENFE-PYHSBISQSA-N 600.885 5.194 50 1 KKGF CO[C@H]1C[C@@H](C[C@@H]2O[C@H]([C@H](C)C(=O)OO)[C@H](C)[C@@H](OC)[C@]2(C)O[C@H]2CC[C@@H](OC)[C@@H](C)O2)O[C@]2(O[C@](C)([C@@H]3CC[C@H]([C@@H]4CC[C@H]([C@@H]5O[C@](C)(O)[C@H](C)[C@H](O)[C@@H]5C)O4)O3)[C@H](OC)[C@@H]2C)[C@H]1C 2356774975 GJYVPDGCHSDXJJ-WPGKNOKWSA-N 931.167 5.175 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](C3=CCN=C3)[C@H](C[C@@H]3C=CC=C[C@@H]3C)[C@@H](OC(C)=O)CC(=O)C2)cc(O)c1O 2356851413 QHIORLJJHDEXRT-GYJCIZIISA-N 571.761 5.878 50 1 KKGF CC1(C)C(=O)/C=C\C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)[C@@H](Br)[C@H](Br)C(=O)C(C)(C)c2ccc1o2 5813237 WBIQJYVZFHNLRN-QXLPFXRRSA-N 624.366 6.056 50 1 KKGF CNC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145596 QDWCHUWEPONNSK-BRCPUVQUSA-N 504.715 5.952 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)C1=C[C@@H](Cl)C(C)(C)O[C@@]1(C[C@H]1C(C)(C)[C@@H](Cl)CC[C@]1(C)O)C2=O 42876461 WDLIKJQSDJDSIK-UXDSUYCGSA-N 511.442 5.051 50 1 KKGF N#C/C(C(=O)N1NC(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)=C1\SC=C(c2ccccc2)N1c1ccccc1 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COc1ccc(OC)c(CNCCCCCCNCCSSCCNCCCCCCNCc2cc(OC)ccc2OC)c1 169331735 OOMLHNDOQRDXET-UHFFFAOYSA-N 650.996 6.282 50 1 KKGF CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OC(=O)NNc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC 169369985 DLCPLXMTDSSZRL-GPPFFLAXSA-N 926.158 6.234 50 1 KKGF CO[C@@H](C[C@H](O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/c3coc([C@@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O 169687717 VIFOVINDEXWVQN-FSOCPGSHSA-N 878.010 5.383 50 1 KKGF C#CCCCCO[C@@H]1[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)C=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5 211442492 BLINPQNTMOWILL-SYQUUIDJSA-N 523.790 6.776 50 1 KKGF CCCCCCCCCCCCCCCCC1=C[C@@H](C(=O)OC(=O)[C@@H](N)C(C)C)[C@H]2C(=O)C(C(=O)OC)=C(CCCCCCCCCCCCCCCC)[C@H]2[C@@H]1C(=O)OC 238766622 RQQPIMSWJUZZFS-HGLRNASVSA-N 842.256 12.412 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](C[C@]3(CCCCc4ccccc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253646617 PQWICQFZDCPUIL-KRDLRRAISA-N 680.835 6.937 50 1 KKGF O=C1N(Cc2ccccc2)[C@H](Cc2ccccc2)[C@H](O)[C@H]([C@@H](Br)Cc2ccccc2)N1Cc1ccccc1 299847587 HZQKKLCDSRMIMN-RACKDBBVSA-N 569.543 6.471 50 1 KKGF O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319115 AFCBKCDYMRTWCT-YTMVLYRLSA-N 625.834 6.729 50 1 KKGF CC(C)CCC[C@H](C)CCOc1cc(CBr)c(OCC[C@H](C)CCCC(C)C)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587875643 YTIAEDYGOQRBFN-IOWSJCHKSA-N 737.691 11.256 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1ccc(-c2ccc(CBr)cc2)cc1 587876947 QWTCCUXKTISKRU-UHFFFAOYSA-N 501.251 6.460 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962665163 LCXPHBWTRBRVKF-CVRXJBIPSA-N 518.249 5.123 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2cccc3c2OC(F)(F)C(F)(F)O3)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962701730 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C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CCC[C@]3(O)CCC(=C(C)C=O)[C@H](CCCO)[C@@]23[C@@H]1O)CCC=C(C)C 2356489036 HUBIYDMTGAHBSA-QLPBVAHASA-N 512.731 5.360 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356608374 MUAYZLTUEIKUJN-ZRMNNWIJSA-N 982.312 5.205 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356711744 UHVZLINJVKMBMK-SRYQRXMFSA-N 907.246 7.438 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@H](O)[C@@H]1O 2356732743 SLBUHAQMZGDGBR-AYGBITPHSA-N 904.245 6.773 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C=O)C1CCCCC1)CC[C@]2(C)O)CCC=C(C)C 2356753380 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COOc1cc(/C=C/c2cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c2)cc2c1O[C@@]1(C)C[C@@H](O)[C@@H](O)C(C)(C)[C@@H]1C2 95486304 VAAITGYBPMHSSA-OGYUCWOLSA-N 578.746 6.905 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@H](/C=C/S(C)(=O)=O)CCc4ccccc4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 95548079 QQIVDXQLWUETIP-XKYPHRKRSA-N 786.988 6.428 50 1 KKGF C[C@H](CCC(=O)N[C@H](CCCCNc1ccc([N+](=O)[O-])c2nonc12)COO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 169362038 QLUQJGVHFRKZQO-LUCCUMHASA-N 685.863 6.095 50 1 KKGF CCCCCCCOc1c(C(=O)N/N=C/[C@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@H](C)Sc3sccc32)c1OCCCCCCC 299811033 NIPQZZZUZUCLPI-RYLLBTJOSA-N 789.193 11.337 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(F)(F)F)cc1 587327722 HEKCVVWFEJVFQF-IXCJQBJRSA-N 543.944 7.451 50 1 KKGF Cc1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1F 587337374 VJUBHMAYZFSQEA-YTMVLYRLSA-N 507.964 6.880 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@H](c2ccc(CBr)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962399815 DTFUQVVEEKXEHT-FQLXRVMXSA-N 587.445 6.465 50 1 KKGF COc1ccc(C[C@@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1 962971849 QLIDKDGUEBQSKZ-LCLBLTNTSA-N 628.903 5.140 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@@H](c2cnn(CCCCCl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963029518 CBNACVVAZORZKW-LOYHVIPDSA-N 592.042 6.530 50 1 KKGF COc1cc(/C=C(\C#N)[C@]2(C(C)(C)C)c3ccccc3CCN2[C@H](C#N)c2ccccc2)c([N+](=O)[O-])cc1OC 963196505 XAKBTPYBVNOVNU-MPLCQXMRSA-N 536.632 6.584 50 1 KKGF N#CC1=C(c2ccc3ccccc3c2)C[C@@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O 1772612619 KQZJSFBORBDKNG-RUZDIDTESA-N 518.457 6.816 50 1 KKGF CCCCOc1c(OC)cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857607945 JLAJUXZOYATTMV-LHVLUDNCSA-N 557.607 5.193 50 1 KKGF FC1CCN(CCOc2ccc(C3CCC4(CC3)OOC3(OO4)C4CC5CC(C4)CC3C5)cc2)CC1 1857771530 RDWGXWFRQYUDIZ-UHFFFAOYSA-N 501.639 5.916 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@H]1C(C#N)=C(N)N(Nc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1911581099 FNEHZIQESSJBDL-SSEXGKCCSA-N 592.650 7.015 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356295024 XMXSOSPFFYSUEX-BUNHYTGOSA-N 797.101 6.077 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SS[C@H]3C=Cc4c(ccnc4N3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356299640 GJYUDCWJEHNJOC-BWZMYNISSA-N 906.180 9.035 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@@](C4)([C@]12O)[C@@]36C 2356308764 WIDIQTFKYQESKU-VIAFUIGLSA-N 595.871 5.755 50 1 KKGF CNCc1cc(O)cc([C@H](NC2CCCCC2)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356352621 XMROVBDHQAOBCX-KKMSLZIYSA-N 745.020 9.315 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@](O)(CCCCO)C2CCN(CCCOC)CC2)O3)O1 2356355502 GFCXWUAMWTUQBH-HHYNLUIKSA-N 899.091 6.235 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSCC2(CCCC[C@H](O)C1)CCCC2 2356367463 DOMGIDUOQAYYCW-BIMXFEBFSA-N 969.412 11.484 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(CO)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356374520 YMNSWZYNBSMAFF-IGFAQXPJSA-N 805.160 7.233 50 1 KKGF C=C(C)[C@@H](CC[C@H](C)[C@@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@]35CC[C@]12C)[C@@H](O)C[C@H](O)[C@]4(C)C(=O)O)OO 2356504067 DBWPILOLPUDSNJ-ONKHMGAVSA-N 504.708 5.673 50 1 KKGF COOc1cc(C=Cc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)cc2c1O[C@]1(C)C[C@H](O)[C@H](O)C(C)(C)[C@H]1C2 2356576281 VAAITGYBPMHSSA-LCQUWCHMSA-N 578.746 6.905 50 1 KKGF CC(=O)O[C@@H]1c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H]1C 2356582207 XLIYEZKUQXAJCM-XMUBJGMPSA-N 807.680 11.886 50 1 KKGF CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)NC(=NC)NCSSC[C@@H]2CCC[C@@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](CCCCC)C32CCCC2)C1 2356777703 BTAPTQCIYNXGJT-NLMDTGFCSA-N 937.367 11.052 50 1 KKGF CCC1=CC2=C(C#CCc3cc(O)c4c(c3[C@H]3Oc5c(ccc6c5[C@@]5(CC[C@@H](C2)C5)Cc2cc(O)cc(OC)c2-6)[C@@H]3COC(C)=O)C=C[C@@H]2N[C@H]3CCC[C@@H](CSSC[C@H]2O4)C3)N[C@H]1N 2356820343 FJWIMYTYZNBRAF-KYXZENMOSA-N 914.203 9.262 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356820712 FNQPXWMQYRZHBX-FXRIHWAGSA-N 800.140 9.298 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356826316 HIQWUUFFWHOYPL-UFVMIWSNSA-N 843.977 5.340 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)C[C@H](NC[C@@H](C)O)C[C@@H](CC45CCCC5)[C@H]3O)C=C12 2356866858 WIAHONLAPRPQTP-YJLDKKJESA-N 957.357 6.844 50 1 KKGF C=C(c1ccc(Oc2cccc(C(=C)[C@@H]3COC4(OO3)C3CC5CC(C3)CC4C5)c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 42851866 NQUDDQHPNPZEJF-VYLOSSIZSA-N 638.801 8.504 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2cc(Br)ccc2c1 42890108 LDEONHKKHKVPNL-GZIVZEMBSA-N 543.009 5.302 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)c1ccc(Nc2ccccc2C(=O)N/N=C/c2ccc(Cl)cc2)cc1 64521376 YQZRIJZMLXVYJI-LTTYKRRRSA-N 530.415 6.265 50 1 KKGF COC1=C[C@@H]2C(CC(=O)OC[C@@H]3C[C@H](Cl)C[C@H](c4cccc5ccccc45)O3)=C(C)N(C(=O)c3ccc(Cl)cc3)[C@@H]2C=C1 96914020 BIWCDGGVOXODAP-RYWPIBARSA-N 618.557 7.769 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@]1(C(F)(F)F)C(C#N)=C(N)N(c2ccc(OC)cc2)C2=C1CCC2 103950614 OBUXCNJJNXPZHZ-FQEVSTJZSA-N 521.423 6.055 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]24C[C@@H](O)CC[C@H]3[C@H]1OC4=O 150345625 VQZUFRCRXGMYCK-JGGMCIFQSA-O 835.985 5.624 50 1 KKGF biogenic,in-vitro COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3/C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C/2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 169358123 ZMYCLKSPUUAQFN-XLJHVKTESA-N 945.072 7.011 50 1 KKGF CCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 253680271 BVDCSUCKQJSEMS-ZJCPYNSMSA-N 618.764 6.104 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)C3=CC(=O)[C@@]4(C)[C@H]5[C@H](C[C@@H]4[C@H]3CC[C@H]2C1)O[C@]1(OC[C@H](C)C[C@@H]1Br)[C@@H]5C 253966842 UZOSLJNYISOLSY-YMRFHSNKSA-N 549.546 5.837 50 1 KKGF COCc1c(COC)c(-c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(COC)c(COC)c1-c1ccc(O[Si](C)(C)C(C)(C)C)cc1 299831593 CULAUKJGLSTQGZ-UHFFFAOYSA-N 667.048 10.374 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@H]1C)OO2 299847929 ZNVVWMNCRFBNDN-XEWPARPNSA-N 648.834 6.831 50 1 KKGF COC[C@@H](COC(C)=O)N(C)C(=O)CC/C=C/CCCC[C@@H](Cl)CCCCCC(Cl)Cl 473082509 JBEYLLUXESVNSE-TYIJLSEGSA-N 500.935 6.281 50 1 KKGF O=S(=O)(c1ccccc1)N1[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C[C@@H]2CCCC[C@@H]21 586958130 GIVRQSPJNHJLTR-AGRHKRQWSA-N 586.446 7.677 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 587009979 YHFNBNLRVCFURM-QFIPXVFZSA-N 539.945 5.954 50 1 KKGF O=C1c2ccccc2[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 587053550 DATDWUNUNCRURT-RPBOFIJWSA-N 602.456 9.799 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054027 BNPMSQVWOLXOEA-AUWJEWJLSA-N 509.746 8.014 50 1 KKGF FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587089864 DOAMFZBVJWZUCV-UHFFFAOYSA-N 791.137 11.084 50 1 KKGF COc1ccc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(OC)c1OC 587319074 ABZNUFAAGXIDBH-BWKNWUBXSA-N 517.347 5.206 50 1 KKGF CSC(SC)=C(C#N)[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334761 YHLKRHDPTNRPKZ-ZEQKJWHPSA-N 545.579 7.266 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587552711 BQJNSSVDVVICRJ-CUBQBAPOSA-N 560.380 7.150 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 587685001 NJWQPUVRLKVIII-SHACYNPGSA-N 522.245 6.245 50 1 KKGF Cc1c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)sc2ccc(Cl)cc12 587852384 GBZABDGXDXGWRB-FVINQWEUSA-N 517.689 6.937 50 1 KKGF CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](OC(=O)NNC(=O)/C=C/c3ccc(Cl)cc3)[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]2OC(=O)O[C@]12C 653753966 BJVWRJIRPDAPBW-TTZKFANHSA-N 997.621 5.215 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCCCCCl)(c1ccccc1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626142 HYIMZKNLCDWXPU-ABYGYWHVSA-N 514.062 6.487 50 1 KKGF FC(F)(F)c1cccc2c1[C@@H](c1ccc(OCCBr)c(Cl)c1)NCC21CCOCC1 962962431 VPQQKGXURZXGFU-HXUWFJFHSA-N 504.774 5.873 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1[nH]c(=NC2CCN(Cc3ccc(C#N)cc3)CC2)nc2sccc12 1857580220 OPQYNBNMTVKHHP-ONEGZZNKSA-N 520.662 6.007 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OC/C=C/COC(=O)/C=C(\C#N)c5ccc(F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857602521 BRWJPHYEBRFHKC-BPQOXSTLSA-N 693.856 9.002 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@H]1c1ccccc1 1857773998 GQRJDTFMMWUKIQ-JMFQFUTESA-N 546.664 5.971 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@@]13CCCC[C@@H]3CSSC[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356456836 SAAHHDXWOUZPPE-BDZJIHQUSA-N 918.316 8.971 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCCC[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356776078 DCYLWSXAPCXWNL-MFBFOPIXSA-N 922.260 6.624 50 1 KKGF CC[C@@H]1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@@H]([C@@H]3CNC(=O)C34CCCCC4)C1)O2 2356857931 SNZXPJGHMNLYRU-IOIQMBHESA-N 936.068 5.043 50 1 KKGF O=C(N/N=C/c1ccc(N(C(=O)C2CCCC2)C(=O)C2CCCC2)c2ccccc12)c1ccc(O)c(Cl)c1 27651561 BMZXXAOCEGOJRW-KCSSXMTESA-N 532.040 6.203 50 1 KKGF Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 27856859 JJQCYQOHEUISNH-CTAQNPQRSA-N 729.617 5.907 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 40786490 IGVIVGSXJUDQEG-KXFQXVLOSA-N 521.050 5.068 50 1 KKGF O=C(c1cc2ccccc2o1)[C@@H](Br)[C@@H](Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 64448655 QMZKMWLCCZFRDO-UIOOFZCWSA-N 590.271 8.114 50 1 KKGF Cc1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@H]3c3c(F)cccc3F)=N2)cc1 98082878 WEDPTZDXXBFBGU-DSPGBKJMSA-N 517.605 5.436 50 1 KKGF C=C[C@@]1(C)CCC=C(C[C@H](C)OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)[C@@H]1C(=C)C=O 143305351 IIBMSRRBRIHDMP-MYXMROBTSA-N 527.573 6.849 50 1 KKGF COC(=O)CCOC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299806005 OBZVIZJCEUAGPL-FDGUZNMRSA-N 621.697 7.773 50 1 KKGF CC(C)(C)c1ccc(COc2ccc(/C=N/NC(=O)Nc3nc4ccc(N5CCOCC5)cc4s3)c(O)c2)cc1 299832686 KEBCSFPPGRQIGF-FDAWAROLSA-N 559.692 5.871 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(OO2)[C@@H](C)CCC[C@@H]1C 299847861 UMAJEIMJMARHQF-CCYFGFPPSA-N 662.861 7.077 50 1 KKGF C[C@H](CCC(=O)N[C@@H](CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)OOCc1ccccc1)[C@@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 299848634 UVECCUOFVSIRQV-AGJQBLKSSA-N 746.942 6.670 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)c(F)c(F)c(F)c1F 587556305 NYYCJQORKUTIGV-ZSEKCTLFSA-N 501.201 5.340 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)N1 587710644 GTSYSTMFFFXAKN-XLFHBGCDSA-N 515.570 6.433 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2scc(Br)c2Br)N1 587841298 ALGLUQXOHHRBLN-MLXNANBUSA-N 576.949 6.347 50 1 KKGF COc1cc2c(cc1OC)[C@@](/C(C#N)=C/Nc1nc(-c3ccccc3)cs1)(C(C)(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962681978 YARCBZZYOKMIHQ-GTALTYTBSA-N 646.735 8.306 50 1 KKGF N#CC1=C(N)OC2=C([C@@H]1c1ccc(OC(F)(F)F)cc1)[C@]1(CCC2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962701796 HATGNIFVNUFCMN-IYXKQEINSA-N 557.613 6.229 50 1 KKGF Cc1cc2c(cc1C)[C@@]1(C(C=O)=CO2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963088689 FCHDXUDWOCFVLJ-LOGWAFOFSA-N 591.707 7.326 50 1 KKGF C[C@]1([C@@]2(O)[C@H](Br)C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)NCCc2ccc(O)cc21 963353019 ORDBAMVYKYENMT-BPIBQTEVSA-N 528.531 5.390 50 1 KKGF Cc1cc(O)cc(O)c1C(=O)OCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 1857537003 GPKZPINTTVNVBK-UHFFFAOYSA-O 625.810 9.238 50 1 KKGF O=C(CCl)Nc1ccc(-n2nc(OC/C=C/c3ccccc3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857637467 MOXCTLXIRWQEQM-QPJJXVBHSA-N 513.812 6.511 50 1 KKGF C=C(C=C1C=C[C@]2(CC[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)[C@@H]2O)C(CO)=C1)CCC=C(C)C 2356349423 FGKVAKLXRFDDLY-KQLGDFJMSA-N 510.715 5.280 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCCO)(CSSCO4)[C@@H]85)C[C@]4(CCCC45CCCC5)C[C@@H]7NN6)[C@@H](O)[C@H]3O)c2c1O 2356355105 BWECGMPYEBPKNN-KIPFMQDBSA-N 943.191 5.708 50 1 KKGF CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)Cc1c[nH]c4cn(cc14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@H]1O 2356360877 QQUDMENFFCLHSZ-VCVOIWOKSA-N 915.235 8.889 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]2C[C@H]1CSSCNC(=NC)N[C@@H]2NC(=N)NC 2356373313 XRHXBDQIJMPJQH-ZGPJAXAHSA-N 717.103 5.989 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356379394 SEZXGHKDTFKCAQ-AZECVWTLSA-N 898.290 6.135 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(CCC[C@@H]5CC(C)C)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356470414 ZWYHMJGDPAWSGN-HZZUSEHTSA-N 781.043 6.256 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)C 2356715371 IOGKKHFUMFJYLW-FKHLNLCRSA-N 623.919 6.531 50 1 KKGF COCCC[C@@H]1CCCC[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC4 2356778077 LWZFDFVYXRCGRF-KLKAAWJBSA-N 919.220 5.590 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356820289 FJBOHLHWNLIVHH-JOAKPFTMSA-N 985.415 9.881 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(=O)c(-c6ccc(O)cc6)c(C(N)=O)oc5c4)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@@H]2c2cc[nH]c2)c2ccccc21 2356831396 JOSPQESHBOXFTJ-DGNYDTESSA-N 939.122 5.973 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@@](C)(CC[C@@H]1CNC(=O)C13CCCCC3)O2 2356866429 WPNCYIZVSXVGOU-MEUBCYBHSA-N 910.030 5.036 50 1 KKGF CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(=N)[C@]12C(=O)C(Cl)=C(Cl)C(O)=C2C#N 71329040 IQFAPPRWTJVWJW-NRFANRHFSA-N 515.180 5.217 50 1 KKGF CNC[C@H]1C[C@@H]2C=C[C@@H]1[C@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@@]3(C)CCSSCc4c(cc(C[N+]5=CC6=CC=NC6=C5)nc4N)-c4cc(cc(N)n4)CC[C@H]4O[C@@]24C(=O)O[C@H]13 150345609 OXHAEOQZBPNJNG-OULKAEFDSA-O 887.077 6.121 50 1 KKGF biogenic,in-vitro COc1cc(N[C@H](C)CCCNCc2ccc(CO[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c2ncccc2c1 150598707 KMUWMAAXVZWHMR-AVMKAXTMSA-N 645.841 7.338 50 1 KKGF CC1(C)O[C@@H](CC[C@@](C)(O)[C@H]2CC[C@@H]3O[C@]4(C)CC[C@@H](Br)C(C)(C)O[C@H]4CC[C@@]3(C)O2)[C@@](C)(O)CC[C@H]1Br 161290395 HQWJZHVIHPJUEI-WBGKYLKZSA-N 668.548 6.586 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Cc3cc(C(=O)O)c(C(=O)O)cc3C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297194 JGUOJQQHQDIAQE-ICTXJMTGSA-N 726.860 6.669 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NCc3ccncc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169364439 IYDXJAJGFURUAM-XGNWNEPBSA-N 710.909 6.595 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 253664625 GXXCHGXPDJFXGQ-RDNOUCSISA-N 557.171 7.613 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 299815067 RKLDGEIKBMOFAU-JUAWTTCASA-N 563.474 5.440 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O 299816701 MUQIOBLJHGULKS-XBVCMULNSA-N 728.161 5.452 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCCSSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299818529 SBWFAIGFKMBQFX-IHOAXTJOSA-N 798.421 5.306 50 1 KKGF C=C(C=O)CCC[C@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C 299847656 HDTJUAYSKZYAMY-KVKAWIHESA-N 702.926 5.285 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CCCC(=O)NCCS[C@@H]1CCO[P@@](=O)(NCCCl)N1CCCl 299858235 DLYDHXFWSSMGFM-PZKPKBEHSA-N 732.884 11.102 50 1 KKGF Fc1ccccc1-c1nnc(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1-c1ccccc1 587152684 CTIRKIXBXRUIDZ-UHFFFAOYSA-N 606.415 8.662 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1cccc(Br)c1 587683687 VTENZHXYWGJSOL-NPMABZOXSA-N 540.702 6.775 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 587719289 KYMBYTMNPQAURG-HUTHGQBESA-N 515.114 5.799 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12C=C1CC[C@H]3[C@@H]4C[C@H]5OC(C)(C)O[C@@]5(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@]3(F)[C@@]1(C)CC2 961747011 DYBJGUSLDSPKRF-WDZRDVQOSA-N 713.331 7.367 50 1 KKGF COc1ccc2c(c1)[C@](CC(C)C)([C@H](Br)[C@H](Br)c1ccccc1)N(C(C)C)CC2 962095736 ZUKIGZJQQCFTCK-UBFVSLLYSA-N 523.353 7.103 50 1 KKGF COc1ccc2c(c1OC)[C@]1(CC[C@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(CI)[C@H]4CC[C@@]31C)NCC21CCOCC1 963190694 NUWRCXQNZYVWFQ-SOTMEYHBSA-N 689.675 6.860 50 1 KKGF CC(C)(C)[Si](C)(C)OCc1cc2ncc([C@@H]3c4cc(O)ccc4C[C@@H](C(=O)O)N3C(=O)[C@@H](N)Cc3ccccc3)cc2o1 963665019 FTVUZMBPIAGAJC-BTIIJPOSSA-N 601.776 5.553 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1ccc(Cl)cc1)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857575597 QQRHHJHAKVFYPS-AVHDWKPZSA-N 626.069 6.247 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)OC[C@H]3C[C@H]4[C@@H]5CCc6cc(OCc7ccccc7)ccc6[C@H]5CC[C@]4(C)[C@H]3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857653912 AQCXOJJEPMUPBX-OFYIOGCZSA-N 758.949 7.783 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1C(C#N)=C(N)N(Nc2ccccc2)C2=C1C(=O)CC(C)(C)C2 1911586589 PIQXUKKXLRPEDC-PMERELPUSA-N 624.667 7.755 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356295963 YZIPDHDRTCJNLB-DMRIIGQFSA-N 727.949 7.144 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](Cc5ccccc5)c5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356349574 IEYJSBNYTVVFAT-CZYDEKCJSA-N 778.188 8.255 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@H](C2CCCC2)Cc2cccc(c2)C1 2356367941 GQYRGOQYDXHIHE-FEWHTZQGSA-N 753.081 6.735 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@@H]([C@](O)(CCCCO)C2CCN(CCCOC)CC2)O3)O1 2356435622 IDPGXIHUIDHSMJ-KILVHLROSA-N 915.090 5.206 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNc3cc(ccn3)[C@@H]2CCCO)CCCC1 2356546730 QUUPMTWVIGGSFU-KEMHIKFASA-N 688.956 8.610 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H](C2(n3ccnc3)CCCC2)SSC1 2356837800 LNDRVMBNKUXLKJ-GJLSYPPOSA-N 648.895 6.624 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC1(CCCCC1)[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(=O)C[C@H](OC)[C@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356855689 RSJBKCBUDBGVHD-FHLKFLLLSA-N 668.022 7.855 50 1 KKGF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=NOc5ccc([N+](=O)[O-])cc5)[C@@H](Cl)C[C@]4(C)[C@H]3CC[C@]12C 2356864163 NNFGKFKPLQYECP-WNMFPWFNSA-N 503.039 6.521 50 1 KKGF C[C@H](Cc1ccccc1)[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@@H](O)[C@@H](CCC1)CC2 2356866650 VODPTHHXOVBINQ-ANEUGTCOSA-N 866.203 7.241 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(C)C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]34C)[C@@H]1CCC(=O)N2 5389710 NVRRKGOJPMOAEG-YDVZVXLRSA-N 577.637 6.726 50 1 KKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cc(OC)ccc1OC)C(=O)[C@H](C)Cl 16570140 KKSBCTWNGZQTPG-UZTOHYMASA-N 510.034 5.187 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873551 VNIYDFGJWDKRPJ-RPWUZVMVSA-N 661.796 6.774 50 1 KKGF CNC[C@@H]1CC[C@@]2(C[C@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSS[C@H]5C=C[C@]3(C[C@@H]5C4)[C@]3(C=CC[C@H](C)C3)C2)C1 85543462 UTHZQAHJLYJINU-IBFJGNSDSA-N 683.084 9.738 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@@H]1C[C@@H]2O)c1ccc(NC[C@H](C)O)c(CO)c1 85597317 HDMUASCQPLURIQ-DQGJNDLCSA-N 762.991 6.831 50 1 KKGF biogenic,in-vitro CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C=C/C=C(C)/C=C/C=C(C)/C=C\C=C(C)/C=C\C=O)C(C)(C)CCC1 85735517 BHSZYKGHISLXHM-GOALLJMFSA-N 508.790 10.781 50 1 KKGF endogenous,in-man Cc1ccc([P+](Cc2ccc(Cc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95551602 AHDUBOJKSSPLDJ-UHFFFAOYSA-N 803.023 12.116 50 1 KKGF CC(C)(C)[Si](C)(C)OCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 170052520 HXKCARPNNJLDND-UHFFFAOYSA-N 618.694 9.391 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@](O)(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253695395 ZICISAPTXRLDEV-VQKWYIODSA-N 790.969 6.171 50 1 KKGF COC(=O)C[C@H]1OC(C)(C)[C@@H]2CC[C@H]3[C@]4(C)C[C@H]5O[C@]6(C[C@@H](C)C(=O)O6)C[C@@H](C)[C@@H]5[C@@]4(C)CC[C@@]34C[C@]21OO4 255231875 MDBRHGOJXOXYEH-BWPWTGHFSA-N 546.701 5.113 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@@H](O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 299815168 DFPBBOCDGYBNBR-WUEXKDHBSA-N 550.689 5.419 50 1 KKGF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccc(S(F)(F)(F)(F)F)cc3[nH]1)C(=O)OC2 586916138 VXKCNAHCJWDCGK-QCDXTXTGSA-N 518.504 7.035 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587047600 YLJLDKHSLJYOIJ-QHCPKHFHSA-N 717.382 10.677 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc([N+](=O)[O-])c1 587326991 NTDCVIZZYMUTJQ-IXCJQBJRSA-N 520.944 6.340 50 1 KKGF Nc1c(Br)cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587540072 ZXFKMXFEWDIWAM-DYESRHJHSA-N 584.058 5.751 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)OCc1ccccc1 587545394 RKUQMSVTIPAWIS-NCZODNFJSA-N 544.003 5.869 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)N1 587733259 LBOVYUQONQFQDY-WJCDVNIASA-N 618.129 7.544 50 1 KKGF COc1ccc(Cl)cc1C#Cc1ccc([C@H](Cl)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 587917131 BZVZKIYDGJZNMW-MUUNZHRXSA-N 523.352 8.337 50 1 KKGF O=C(NCCCCCCSSCCCCCCNC(=O)c1cc(-c2ccncc2)[nH]n1)c1cc(-c2ccncc2)[nH]n1 653688545 OVDWISSAYOKSCG-UHFFFAOYSA-N 606.822 5.919 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CCl)(c3c(-c4ccc(Cl)cc4Cl)[nH]c4ccccc34)N12 962630126 DUNMPCQPZWPTLU-LOYHVIPDSA-N 564.900 7.271 50 1 KKGF CS(=O)(=O)Nc1cc([C@]2(CBr)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1O 962721216 WLASOMZBEHWAGS-SVXHESJVSA-N 769.665 5.519 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc([N+](=O)[O-])cc2)N1C(=O)c1ccc(Cl)cc1 963022165 OSHIMRJSUBAMOI-ATIYNZHBSA-N 568.811 5.520 50 1 KKGF CC1(C)CCC[C@H](Cl)[C@@]12c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963087456 AGBAZBKPBYAAOP-QOVAEWSBSA-N 550.142 8.003 50 1 KKGF COc1cc2nc(SCC(=O)Nc3cccc(Cl)c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857601452 YIBDTSCCJNCQKO-SNAWJCMRSA-N 600.915 7.040 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@H]1c1ccc(Br)cc1 1857655541 WZPZKYFXVZRHOF-NNYRAMOGSA-N 625.560 6.734 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C3(CCCC3)[C@](CO)(NC(=N)N)CSS[C@@H]4CO)O[C@H]21 2356297476 UXDVXSBLVRZNEZ-YMXAGNDISA-N 821.031 5.787 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356360092 YJEARMAMFQRPOJ-JVKRNHJYSA-N 700.968 5.785 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6(CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356368936 BHEIZGQOUKRKAT-RWTYNIFKSA-N 869.119 6.180 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2ccc(O)c(OC)c2)CSSC[C@H]1c1cc[nH]c1 2356369468 XDQILRRCZAEOPS-ALJFMCDRSA-N 505.702 6.079 50 1 KKGF C=C1C[C@H](O)[C@H](C)[C@H]2C[C@@H](CSSC[C@H](n3ccnc3)CC1(C)C)[C@]1(O)C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)[C@@H]5CC[C@H](C[C@@]21C)[C@@H]3[C@]45C 2356414233 RQBXKLUYEOOAMR-SMYOBCAOSA-N 670.982 5.856 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@@]78CCC[C@@H]7C=C[C@@H](C8)C67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356448521 GDFJTQKFFFLGFW-IEEPSJBBSA-N 988.371 6.524 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)[C@@H](CCCO)SS[C@H]5O 2356519961 TYGWZAMUBYOZNS-OIQPGXMBSA-N 958.290 5.039 50 1 KKGF C=CCC=CN(C)C(=O)CCCCCCCCC=C[C@@H](CSSC[C@H](C=CCCCCCCCCC(=O)N(C)C=CCC=C)NC(C)=O)NC(C)=O 2356603025 UJORQZOJHPJQER-ZAQUEYBZSA-N 759.180 9.828 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](C)(O)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C 2356660628 JUTMFHKUBGXKGY-KKYNAJBLSA-N 556.784 5.521 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@@](C)(O)C1CCCCC1)C4 2356696009 FVAIFZCZWYTMRY-ACBDNNLSSA-N 769.888 5.146 50 1 KKGF CC1=C(CCCCCCCCCCCCCCCCCC=C(C(=O)O)[C@@H](CC(=O)O)C(=O)O)C(=O)OC1=O 2356821380 FZZUIWZIBQUETG-XMMPIXPASA-N 536.662 6.205 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356841070 NEIOCSZNRUEUOC-RKKICMGXSA-N 872.075 6.393 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C=C(NCSS[C@H](CCCO)[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@@]6(CO)CC[C@H]([C@@]41C2)[C@@](O)([C@@H]5O)[C@@H]6O)NC3 2356850454 PQDPJTXFXVUFGZ-IWJBFQFUSA-N 983.215 5.114 50 1 KKGF CCCCn1cc2c(nc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)n3nc(-c4ccco4)nc23)n1 26657293 XVVMSOVKSQHAQB-UHFFFAOYSA-N 556.458 5.462 50 1 KKGF CC(C)C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)N[C@H](Cc1ccc(Br)cc1)C(=O)C(=O)NC(C)(C)C 28529231 NZWGLNHCOXHUDM-ZLNRFVROSA-N 628.699 5.205 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)C[C@@H](Br)C(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 34016203 ZSYCMXVHYNLFBD-UGBXBDICSA-N 519.608 7.819 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@@H]4c4cccc(Oc5ccccc5)c4)n3)cc2)ccc1Cl 82186893 NMCVKFSTCRQUOH-WDYNHAJCSA-N 652.581 7.761 50 1 KKGF C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C(=O)Cc4cccc(C(N)N)c4)CC[C@@]3(C)O)[C@@H]2O)CO[C@@H]2C#CC/C(=C\CC1)CCSSC2 150342527 LQQRMOFFWIFBDL-RQQJNXJESA-N 747.080 7.044 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1ccc(NC[C@H](C)O)c(CO)c1 150347745 HFJYAEKLXVECAL-GLPWATMKSA-N 746.992 8.033 50 1 KKGF biogenic,in-vitro Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171110 SEBXXWGNVSZTGZ-KUBLHBOJSA-N 749.183 7.762 50 1 KKGF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1Cl 586963544 MLLDPTNVVGFSHV-UHFFFAOYSA-N 523.940 7.005 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3c(Cl)c(Br)cnc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056826 RYNLVAQAWQHIMW-QPEQYQDCSA-N 521.633 7.152 50 1 KKGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587321091 IDZXXGJUJDWYRU-BVAGGSTKSA-N 508.343 6.144 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587327708 HDNRJAXCKBXERS-IFMALSPDSA-N 563.263 7.218 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538752 RNRQIVKFCIFZFF-LSYYVWMOSA-N 599.264 6.938 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 587670467 KPPQVVZILKHNBR-XYZCENFISA-N 537.021 5.390 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)N1 587683357 GPHPDMZEQLXMIT-KFSOKAEPSA-N 511.863 5.693 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc(F)cc2)([C@H](Cl)C(=O)c2ccc(F)cc2)N1 587733622 RJVBUCVZRCWAGW-SHAMJUJCSA-N 508.765 6.135 50 1 KKGF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@](CCl)(c1cc(C)n(CC(F)(F)F)c1C)N2C(=O)OC(C)(C)C 962707920 LMLKRRZCOBZNLO-CLJLJLNGSA-N 559.000 5.940 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@@H](Cl)[C@@]1(c2ccccc2)c2ccsc2CCN1Cc1cccnc1 962996364 JKRKUGLZAUCMJP-IXCJQBJRSA-N 518.038 5.420 50 1 KKGF COc1ccc(C)cc1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963034091 YGSONWZWGFEKGM-QDPGVEIFSA-N 567.867 5.929 50 1 KKGF C[C@H](Cn1ccnc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C 963067112 NINGWFAINYERMO-LWIMQRDRSA-N 598.817 5.862 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(NCCc3c(Cl)cc(Cl)cc31)c1ccccc1C2=O 963101462 BBFRNPXVKMYMHW-VDBVYFBLSA-N 520.243 6.195 50 1 KKGF C[C@@H]1C(C=O)=CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963449073 PFXWATZTEDUKHX-LGLQSXTJSA-N 726.871 6.684 50 1 KKGF CC[C@@H](Br)[C@]1(c2ccccn2)c2ccccc2C[C@@H](C(=O)NC)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963928887 QAXVSLCLYLIHOK-BBSQDZNJSA-N 687.726 5.636 50 1 KKGF N#CC1=C(NCCC(=O)NCCCCCC(=O)NCCCCCCNc2cccc3c2C(=O)N([C@H]2CCC(=O)NC2=O)C3=O)c2ccc(Sc3ccc(Br)cc3)c3cccc(c23)C1=O 1857535882 OTPNEQMODCNHMR-QNGWXLTQSA-N 946.925 7.031 50 1 KKGF Cc1ccc(Oc2ccc(Nc3c(C#N)cnc4ccc(NC(=O)C5CSSC5)cc34)cc2C)cn1 1857599860 YXFRZZSNPQBMER-UHFFFAOYSA-N 513.648 6.604 50 1 KKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@@H]2c1cc(C(C)(C)C)c2oc(C(=O)c3ccc(Cl)cc3)cc2c1 1857758043 PDOUMQDDTUZBML-VWLOTQADSA-N 529.036 7.066 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1[C@@H]1C(C#N)=C(N)N(Nc2ccccc2)C2=C1C(=O)CC(C)(C)C2 1911582142 IADIRZANVGAQOH-PMERELPUSA-N 574.660 6.876 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CC5(C[C@H](O)CO)CCCC5)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356292690 ULAIEBGPDXGCBG-HGATVWILSA-N 960.272 8.460 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O6)C4)C1)C2 2356300011 JPVODEHOYIZATK-NIJDMEEUSA-N 884.133 8.792 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)CC[C@@H]1CCN 2356314484 ONEXWUZTIISBCH-KQRKYUNASA-N 744.073 6.144 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@H]5[C@@H](CO4)C3)CCCCC1)CC[C@@H](O)CC(=O)CC2 2356354869 BMTVKEOGDNRFTC-PRCYOMJZSA-N 815.115 6.299 50 1 KKGF COc1cc2c3c(c1OC)Oc1ccc(cc1)C[C@H]1c4c(cc(OC)c(OC)c4Oc4ccc(cc4)C[C@@H]3N(CCBr)CC2)CCN1CCBr 2356493481 UUWCNAWTMKECEA-ACHIHNKUSA-N 808.608 8.693 50 1 KKGF C=C(C=CC=C([C@@H]1C=C2CCC[C@H](C)[C@@H]2[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356685948 MFGBIISZLPLNBL-VCTYIJIYSA-N 909.262 7.377 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356731782 YTMNUZVMZUHFMD-KNSLIZDLSA-N 889.282 9.971 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356733064 RSXNXHYLDZQBPY-MWIUXMLOSA-N 701.005 5.933 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356832064 JTFFRDHHODAKIN-PPLCWLDESA-N 803.060 5.407 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@@H](O)SSCNC3=CC(=CCN3)C2)CCCC1 2356837528 LKFQXFGFMJXHPB-KPUXBLLKSA-N 648.891 6.915 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356840127 KDIJKFZFJJJLNK-HYSAGDLFSA-N 852.201 7.221 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSS[C@H]4CC5=C[C@@H]6C7(CCCC7)CC[C@@]6(C[C@]6(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]6O)C3=CCNC(=C53)N4)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356864607 VXBGIUBMTYLLNL-IQZHUGMESA-N 881.082 5.077 50 1 KKGF Cc1cc(NC(=O)CCl)sc1-c1nnc2n1N=C(c1cc(F)c(Cl)cc1Cl)/C(=C/c1ccc(Cl)cc1)S2 28823785 MMKYUZDIEUBNFS-WSVATBPTSA-N 613.354 7.991 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@@]2(C)O)CCC=C(C)C 85544628 BCHINQNSSLQLBZ-FMJIQSHJSA-N 536.753 5.526 50 1 KKGF biogenic,in-vitro C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@H](NC)[C@H]4CN(C(=O)Cc5cnc(N)cc5[C@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]34 85594577 BVRWUSZFLOGZJD-KBAKVXRCSA-N 712.894 5.117 50 1 KKGF biogenic,in-vitro COc1cc(N[C@@H](C)CCCNC2CCC3(CC2)OO[C@@H]2CCC(C(C)C)=C[C@@H]2O3)c2ncccc2c1 169366914 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C[C@@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(C2=O)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963029424 BOUSWAIQZJZTTI-ITRCJVSYSA-N 650.516 6.821 50 1 KKGF CCCCOc1ccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963197846 ULKMOFLZRNZUNZ-CTNGQTDRSA-N 520.773 5.775 50 1 KKGF COc1ccc([C@H]2c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OCCCCl 963200456 QPAVWMHTGXTBPT-DHIFEGFHSA-N 588.056 6.646 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2ccccc2Br)N1C(C)=O 963299986 CLDVZXUSRDEDCP-RRURFNPQSA-N 831.536 5.891 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccc(S(F)(F)(F)(F)F)cc1Br 963903565 ASKOHGYTJPGPSF-VFNWGFHPSA-N 586.417 8.141 50 1 KKGF N#CC1=C(N)Oc2c(N)cc3nc4ccccc4nc3c2[C@]12C(=O)N(Cc1cnnn1-c1ccc(Cl)cc1Cl)c1ccccc12 1772617168 YLKBNKVTXRAXIS-JGCGQSQUSA-N 632.471 5.172 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]43 2356296766 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50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C[C@H]4SS[C@]5(CCC[C@]6(CCC7(CCCC7)C6)C5)[C@@H](CC[C@H](C)CCC[C@H](O)[C@@]4(O1)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@@H]4[C@@]3(O)[C@H]1O)NCCO2 2356374262 RIOJKCOEIKVSEC-KTBYCIMZSA-N 994.323 7.446 50 1 KKGF CCCCCC[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@]5(CCNC(=N)N5)CSSCC[C@@]2(C)[C@]31CC4=O 2356479458 QOZINMHYBYKTIY-RUVVZBKVSA-N 533.848 6.079 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@@H]1C)N43 2356630884 IFTLASPLOLUKEF-HXAQTTLQSA-N 601.875 6.960 50 1 KKGF CC(C)=CC[C@@]12O[C@@]3(O)[C@](CC=C(C)C)(C[C@@H](CC=C(C)C=O)C(C)(C)[C@@]3(C(=O)CC(C)C)C1=O)C2=O 2356687080 CRJBCLDWIBFYIG-DFYRYSMESA-N 512.687 5.478 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@@H](O)[C@H]3C[C@@H](C=C[C@H]1C3)C2 2356845457 OFDGRCGXCJYOGD-AILSAUTJSA-N 826.138 6.111 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356847036 OSZLWMHCXLITFG-QARNFRKPSA-N 827.171 6.887 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@]12O)[C@@]3(C)[C@]12C[C@@H]4CC[C@H]1[C@@H]1CSS[C@H]3CCC[C@@H](O)[C@H]3Nc3cccc(c3)C[C@H]1C2 2356847147 OUCLSZGZFLLDDT-LRKIJGBYSA-N 623.925 6.368 50 1 KKGF Cc1cccc2c(Nc3cc(CO)cc(NC(=O)Oc4ccc(N(CCCl)CCCl)cc4)c3)c3ccccc3nc12 44305088 BYNDHYSWCKXHPE-UHFFFAOYSA-N 589.523 7.827 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 49878625 BHPSZHFOPFVKLN-VVAXDPKNSA-N 550.047 5.424 50 1 KKGF CC(=O)N[C@H](Cc1ccc(O[P@](=O)(OCc2ccc([N+](=O)[O-])o2)N(C)CCCCCl)cc1)C(=O)N[C@@H](C)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95549865 YIRPLGKUOHBEPW-RNXDGIMZSA-N 790.251 6.825 50 1 KKGF C[C@@H](NC(=O)c1ccc(O[P@](=O)(OCC2=CC(=O)c3ccccc3C2=O)N(C)CCCCCl)cc1)c1ccc(OCC2CCCCC2)c(C(N)=O)c1 95550070 KEOOLQDMCOPPKK-WACOTCBDSA-N 750.229 7.696 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(C(F)(F)F)cc1)SS/C(=N/c1ccc(C(F)(F)F)cc1)OCCN1C(=O)c2ccccc2C1=O 95615106 MTYCYIJBQCIJBO-WRFCJWBBSA-N 786.732 8.406 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2)c1 103195490 NCVDBHXXNOWBEZ-GOTSBHOMSA-N 552.812 5.646 50 1 KKGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)C1=C(C2=O)C(=[N+]=[N-])C(=O)C(C)=C1O 103236897 QTCNDPTWOLONJZ-MEXKZFNJSA-N 555.886 5.033 50 1 KKGF CC1(C)C(=O)/C=C/C(=O)C(C)(C)c2ccc(o2)C(C)(C)C(=O)[C@H](Br)[C@@H](Br)C(=O)C(C)(C)c2ccc1o2 136749311 WBIQJYVZFHNLRN-CXNSYNGHSA-N 624.366 6.056 50 1 KKGF CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)N2CCN(C(=O)[C@H]3CC[C@@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)C4=CC(=O)/C(=C(\C)C=O)C[C@@]43C)CC2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716324 WHZPDEFEIXIUMA-VIODDRBKSA-N 911.190 8.688 50 1 KKGF CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCc2ccc3c(c2)C(=O)c2ccccc2C3=O)N2C[C@@H](Cl)CC(C)(C)C2)C1 473116717 XINQZTKNKBUFTN-QRQMUESOSA-N 627.653 6.723 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc4c3C(=O)[C@H]2[C@@H](c2ccc(O)cc2)O4)c(C)n1C(c1ccccc1)c1ccccc1 587283371 FGLUMTOQJHPUNY-GBLBXZFTSA-N 754.232 5.086 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)[C@H]2Br 587322048 LFZJVCVICJLGCO-ZGNSORODSA-N 538.251 6.224 50 1 KKGF O=C(CCl)c1ccc2c(c1)-c1cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)ccc1C2 587325479 FYZGQLSPQPEEIY-VEEOACQBSA-N 547.409 7.017 50 1 KKGF Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587373090 KYVBOXSWAFNRKA-GMCHKSTQSA-N 576.089 7.260 50 1 KKGF COc1ccc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587537577 IDCJGSUWBAOFIK-SIKLNZKXSA-N 520.173 5.415 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3[C@H](Br)C[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]4[C@@]3(C)CC2)N1 587673346 MDZPMXHFHKDTLL-RCAUGLBESA-N 579.392 7.223 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cccc(SC(F)(F)F)c2)N1 587721413 PZRWKKWUKIRDLM-BMLIUANNSA-N 513.192 6.373 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@]1(c1cccc2ccccc12)c1cn(CCCCCBr)c2ccccc12 961948489 HDZHIAKFWVSRAD-HRDMKUQISA-N 771.756 7.343 50 1 KKGF C[C@@H](Br)[C@@]1(c2ccc(Br)cc2)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962408161 VTZLQSYGJFRZJM-RNNNFVBRSA-N 662.378 7.132 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CI)(c2c[nH]c3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 962578282 XYHGNCMEQYSUPY-CYTLCNBWSA-N 655.492 6.502 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)([C@H]1Cc3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668042 AXYIXFLCKHKVTD-WNCULLNHSA-N 560.410 6.351 50 1 KKGF CC(=O)Nc1c(C)cc(C)c([C@@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1C 963043019 SVEKGIKSEUZBJL-RZFQCGOMSA-N 659.129 7.591 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(c3ccccc3C2=O)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963066043 GFNPSHDAUGHOBF-OKWCCNDUSA-N 644.124 5.567 50 1 KKGF ClCCCCC[C@@]1(c2ccccc2I)NCCc2c(Cl)cc(Cl)cc21 963109740 OWEQRDBTOTUXHR-FQEVSTJZSA-N 508.658 6.787 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(CCCC[C@@H]2CNCCBr)N1 963158801 NVCLOAATZVZHPL-LIBPBNGUSA-N 653.665 6.337 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCl)(c1ccc(C)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963733930 ZSVJZKSPKOKQKH-HKBQPEDESA-N 531.052 6.024 50 1 KKGF COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCC(=O)OCCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772630571 FKHYGNUJGZTVLQ-SCAVLVJOSA-N 762.735 5.686 50 1 KKGF CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)[C@H]2c1ccc(O[C@H]2C(=O)N(c3ccc(Cl)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 1857555516 MERMPLBIOKUTRS-CCNCKIRNSA-N 611.054 6.235 50 1 KKGF CC1=C(CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56C(=O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857601400 PIIUSCRKTCJIFM-HGFINNGFSA-N 624.935 7.761 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@@H]2[C@]12CO2)C3(C)C 2356338972 FQUUEVQWEWPIDX-XEGYUHOISA-N 606.829 5.303 50 1 KKGF C=C(CC[C@H](OS(=O)(=O)O)[C@]1(C)CC[C@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356339796 XPFSDJHOHZEAIC-DHVYOIBHSA-N 667.700 5.816 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)CCC=C(C)C 2356410977 GEZNSMOWMILNSK-NEPHXMAZSA-N 555.800 5.094 50 1 KKGF CCOC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3C(=O)[C@H](Br)[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C 2356432968 RBYRHDBWVSOLNG-LXYPDDFNSA-N 597.587 5.650 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@@H]2O)cc(OC)c1O 2356516404 WTTMGKRANVEFIH-HSHUGKKKSA-N 696.884 6.638 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@@H]([C@H](O)[C@H]64)[C@@H](C2)[C@@]1(C)C[C@H]3CNC(=N)N 2356534586 FQFFMVDDXGHMAX-HDDQGJNCSA-N 957.405 7.585 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C[C@@H](C6CCCC6)C[C@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356545758 ZCFBFDBOWICTBU-QFCSRQJESA-N 939.213 8.224 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1CC=C[C@H](C4=O)[C@@]512)CCNC(=N)N3 2356639720 AVDCOKJFCJMDSC-ZJEIYXARSA-N 555.854 5.998 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CC2=O)C[C@H](NC(=N)N)CSSCCCCCC[C@H](O)C1 2356730081 FBGZIXONESFIDG-SRGWINKKSA-N 664.935 5.265 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC2(CCCC2)[C@@]2(C1=O)[C@H](CO)CCC[C@H]2CSS[C@H]5O 2356773359 XUPVQRVRJUAAFD-VRWGJABBSA-N 924.276 6.706 50 1 KKGF C/C(=C/SS/C=C(/C)n1c(C(=O)c2ccc(Br)cc2)noc1=O)n1c(C(=O)c2ccc(Br)cc2)noc1=O 49908024 IYHSXGLHKCCSSE-XSYHWHKQSA-N 680.356 5.691 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CO[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101902813 FUTOREOLEFXZAH-RZUHFWIZSA-N 508.499 6.909 50 1 KKGF COc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(OC)cc2OC)c(OC)c1 169332249 ORUQJZWLEFDKDG-UHFFFAOYSA-N 650.996 6.282 50 1 KKGF CCCCCCC[C@@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928807 XCQVIBNYJYFVME-WOZUAGRISA-N 674.961 7.861 50 1 KKGF O=C(Nc1nc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cs1)c1cccc(O)c1 587019510 MHKLNBNPIIUPIX-UHFFFAOYSA-N 555.348 6.988 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@H](Br)C1 587321638 DSTRCZVFDVECJO-IOGAWYOOSA-N 520.395 5.470 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cccc(C(F)(F)F)c1 587330795 PBCFRSAHUYRFMM-IAPPQJPRSA-N 543.944 7.451 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(OC(F)F)cc1 587333407 VUCYORFITANEDR-UHSQPCAPSA-N 541.953 7.033 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3ccccc3)c(NC(=O)[C@@H](C)Cl)c2c1 587618828 WKEXIRSQEKCLOV-CQSZACIVSA-N 528.974 5.118 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1ccc(NC(=O)CCl)cc12 587682558 CTXYFDNQYSDFKR-SHZVTRLKSA-N 513.794 5.136 50 1 KKGF CC(C)(C)c1cc(/C=C(/C#N)c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc(C(C)(C)C)c1O 587923660 CGNZSOSGKCHSLA-UNOMPAQXSA-N 509.697 6.546 50 1 KKGF COc1ccc2c(c1)[C@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)N(C(C)C)CC2 962045282 PDNHUKBRLBHOEW-WTYVLRPYSA-N 503.033 6.842 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)c2C)cc1 962958921 PAOVHPMEXSQYJO-GDLZYMKVSA-N 547.061 6.509 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@]2(C[C@H]1CO[Si](C)(C)C(C)(C)C)c1c(F)cccc1C[C@H]1CCCN12 963100529 BKDWMLTXAUNZTI-WENCSYSZSA-N 504.763 6.463 50 1 KKGF CN1CCc2c(Br)cccc2[C@]1(/C(C#N)=C\Nc1nc(-c2ccccc2)cs1)C(C)(C)C 963271923 XMKUJQIJTKRTNZ-RFIRZFHUSA-N 507.501 6.821 50 1 KKGF Cc1cc2c(cc1O)[C@@]1(N[C@H](C(=O)O)C2)C(C#N)=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(NC(=O)C(C)(F)F)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C 963492369 QFVSANRTECRLDX-OSDWGPBGSA-N 731.925 7.669 50 1 KKGF COc1cc2c(cc1OC)[C@](C)(c1oc3ccccc3c1NC(=O)CCl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963807972 NRXKIDQBUWKESI-JGCGQSQUSA-N 586.044 5.640 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2cc3ccc(F)cc3oc2=O)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937213 DUPYYZQNCZMLQW-FHHAHDQFSA-N 744.705 5.708 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356292326 OPAOLUXJRSYOEO-AIMUFWBGSA-N 875.215 7.871 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc2c(cn1)CC[C@@H]1CC4(CCCC4)C[C@@]21C[C@]1(O)[C@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 2356299940 IWFQDGYJVXTRRT-IFFNEMAYSA-N 927.151 5.879 50 1 KKGF COc1c(O)c(OC2CCCC2)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5c6cc(O)ccc6-c6c(OCCO)cc(c(c6[C@@H]5CO)[C@H]4[C@@H]2O)O3)c1O 2356356391 ASQKOBKAUPTOPZ-VTDLLRFISA-N 766.975 7.441 50 1 KKGF CN[C@@H]1CC[C@]2(C=CC[C@H](C)C2)[C@@H]2C[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OC)c3)[C@H](O)C[C@H](OCO)CC4)CC[C@@H]12 2356635853 MQSGBIPBNNYXLW-FBJYYEILSA-N 832.135 6.690 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@@](C)(O)[C@@]3(CC1)[C@H]2O)CCC=C(C)C 2356660629 JUTMFHKUBGXKGY-MAPGQBHESA-N 556.784 5.521 50 1 KKGF COc1cc2c(cc1OC)C(=C(C=O)c1ccc(-c3cc(OC)c(OC)cc3C[C@H]3c4cc(OC)c(OC)c(OC)c4CCN3C)c(OC)c1OC)NCC2 2356688595 FLLGTCPIQGAJQA-XIFFEERXSA-N 754.877 6.416 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@@H](C)CCSS3)[C@H]2O)c(O)c(OC)c1O 2356742960 ONWXQAXZVDMDPV-KGLNKIICSA-N 652.831 7.304 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=C[C@H]3C=C[C@@]4(CCC[C@@H]5[C@H](O)C[C@@H]6[C@H](CCC67CCCC7)CSSC[C@@H]3N54)[C@@H]2[C@H]1C 2356810934 BCSCQZNVNIKJSO-RHMCHTPUSA-N 611.870 6.736 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(=O)C[C@H](OC)[C@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356828736 IKJZLJRXFSMVGG-MFKZDGMISA-N 599.903 6.152 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@@H](O)C2CCCC2)C1 2356849335 PVGARCAGUXLKTO-RMQLMOTOSA-N 903.265 5.818 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@H]3[C@@H]4C(=CC[C@H]5CSSC[C@H]6CCC[C@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4C)c1 2356871584 YCFNLGAMBHKACX-JYCHRVRUSA-N 710.015 7.573 50 1 KKGF COc1nc(C(=O)NNC(=O)c2nc(OC)c3ccccc3c2-c2ccccc2)c(-c2ccccc2)c2ccccc12 1649687 XXKFRVWNZPWMRM-UHFFFAOYSA-N 554.606 6.209 50 1 KKGF Cc1cc2c(cc1[C@@H](CCBr)C(=O)c1sccc1S(=O)(=O)Nc1onc(C)c1Cl)OCO2 27518983 XCFXZZOJGLOZQN-GFCCVEGCSA-N 561.863 5.287 50 1 KKGF C=C/C=C\CC[C@H]1O[C@H]2CC[C@@]3(C)O[C@H]4[C@@H](O)C[C@@]5(C)O[C@@H](CC/C=C(C)/C(C)=C/C=O)[C@@H](C)C[C@@H]5O[C@@H]4C[C@@H]3O[C@@H]2CC[C@@]1(C)O 49889539 JPBOABGEVHVPNM-KGIMXCGWSA-N 656.901 6.476 50 1 KKGF CNC(=O)CCCSSC(C)(C)CCC(=O)N(C)[C@@H](C)C(=O)O[C@@H]1CC(=O)N(C)c2cc(cc(OC)c2Cl)C/C(C)=C\C=C/[C@@H](OC)[C@@]2(O)C[C@H](OC(=O)N2)[C@@H](C)[C@@H]2O[C@]21C 238730514 MNGBJGFSOBSOSR-DTLJZVKWSA-N 911.581 5.981 50 1 KKGF investigational CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@H](Cl)[C@]45O[C@H]4[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CC[C@]5(C)[C@H]3CC[C@@]21C)C(C)C 255214442 HAAIKLIMLBUYHH-OXTTXHHNSA-N 627.303 5.278 50 1 KKGF Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)NC(=O)OC(C)(C)C)cc1 586932782 SBJNOABJQOABMM-KRWDZBQOSA-N 640.701 6.248 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587325701 GVTXMZBHFUFKQV-CYTLCNBWSA-N 586.063 6.230 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587330007 ZMQXZWNQRSIBQA-SRUZQWDCSA-N 749.659 7.943 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544667 OSBKEJSVXLPMLY-QXGAZULMSA-N 529.932 5.224 50 1 KKGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc15 587696381 UCMNCNFZLZDWFF-QUSXJBTPSA-N 669.459 6.499 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 587712889 BQEJGISMHPESDM-MLTMRYFHSA-N 541.839 7.002 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2C(c2ccccc2P(c2ccccc2)c2ccccc2)(c2ccccc2P(c2ccccc2)c2ccccc2)N1 587847114 FWHHYIFOBQMGHN-XIFFEERXSA-N 764.659 8.931 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(Br)Br)c2nsnc12 587898307 FNUJJBXGXPENRG-UHFFFAOYSA-N 548.087 5.497 50 1 KKGF CCCCN(CCCC)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c2ccccc21 653729627 YMWIDDPGCJBEKB-IYOYZZHUSA-N 547.099 6.259 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CBr)(c2cccc3c2OCCO3)N1C(=O)OCC1c2ccccc2-c2ccccc21 963027965 AWLOPMSHLGHPNO-SJHOIFEDSA-N 662.483 6.635 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(C2=O)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963029427 BOUSWAIQZJZTTI-OAEYLUFDSA-N 650.516 6.821 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)(Cc1cccc(Br)c1)N(C(=O)c1ccccc1N)CC2 963138140 JKJRONWYLSUJCZ-AREMUKBSSA-N 529.862 5.424 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@H](CCCBr)N1 963172110 NIXBCBAKCOCDFU-PXJZQJOASA-N 570.531 6.183 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21c2ccccc2CCN1[C@@H](C#N)c1ccccc1 963198397 UTBYTCCNTQKXOV-BHGSEAJBSA-N 587.646 7.782 50 1 KKGF O=C(N/N=C/c1cccc(Cl)c1Cl)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1 1772609388 JTUYGPGTTJREBT-JPTYDNMLSA-N 589.842 6.796 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857540420 ALPCBGGLNQJMFV-NGINMKHWSA-N 675.785 8.378 50 1 KKGF CC1=C(CO[Si](C)(C)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H](O)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(C)[C@H]4CC[C@@]32C)C1 1857760987 YGIXRCPZSCJNGB-VRUUEPFXSA-N 602.885 5.337 50 1 KKGF CCC[C@@H]1[C@H]2C=C[C@H]3C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356309861 URKTWDQXURMLIT-YLJYTTBISA-N 854.151 9.618 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@@H](O)c2nc(C(C)=O)cs2)[C@H]1C 2356325970 RYSXYKPCSNNWNU-YGXKBFGMSA-N 660.315 6.508 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCC4(C[C@H](O)CO)CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356350916 MJRCPVFEGZWOQX-UQMUZSNRSA-N 934.234 8.070 50 1 KKGF CN[C@@H]1CSSC[C@H]2C[C@@H]3CC[C@@H]4CC[C@]5([C@H]6O[C@H]7[C@@H](C(=O)Oc8c(CO)[nH]c9ccc%10cc%11ccccc%11cc%10c89)O[C@@]8(O)[C@@H](O)C=C[C@@H]([C@H]6C[C@@H]1[C@H]5O)[C@@]78O)[C@@]34c1ccc(O)cc12 2356357030 PSXSXWANWOHISL-NIFXRTGQSA-N 919.131 5.922 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N[C@H](C)O)[C@@H]2CCC[C@@H]3[C@H](O)CC(=C4CCCC5(CCCC5)C4)C(C)(C)C[C@H](n4ccnc4)CSSC[C@H]4C[C@H]3[C@]2(C)[C@@]14O 2356357311 RQNSDUUAMGJWLJ-CJHRHVQNSA-N 951.398 6.998 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCCCC)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356359525 MPQCKRHRRIIUME-PGYITWPSSA-N 803.182 7.898 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@H](CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356372045 WNFHXGVPGGNTOH-MPKUJHRWSA-N 748.913 5.015 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@@H]3C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]3SSC1)[C@]1(C=CC[C@@H](C)C1)C2 2356395897 WQDKZOIIBMSNIE-SZZXNAGRSA-N 685.100 9.962 50 1 KKGF CCCC[C@H]1CCC[C@H](Cl)C[C@H](OC)c2cc(O)c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c2)[C@H](CCCC)CCC[C@H](Cl)C[C@@H](OC)c2cc(O)c1c(O)c2 2356399244 QSSPVYZUPDQNSI-USTHCHOASA-N 815.869 7.954 50 1 KKGF CCCCCC[C@@H](O[Si](C)(C)C)[C@@H](CCCCCCCCCCCO[Si](C)(C)C)O[Si](C)(C)C 2356482068 HBNCJFAXTOPHAP-VSGBNLITSA-N 533.075 10.150 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@@H](C)O)SS[C@H]3C=Cc4c(ccnc4N3)C2)CCCC1 2356536876 SVVCLGAAKCQWQY-ORDUYJJGSA-N 727.993 7.988 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@H]2CC[C@H](O)CSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 2356639535 UMTFJRSOKDQKEG-VDLUWRPTSA-N 692.900 6.583 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@@]12Cc1cc5cc(C6(CCO)CCCCC6)c(=O)oc5cc1O2)[C@H]43 2356813711 BTXFRAFCCVEMQO-KUGRFFCWSA-N 871.135 5.753 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](CN2C=CNC2)(SSC1)[C@H](CCc1ccccc1)CN3 2356841739 MHEPGYSUBBQLPF-BAUSKMSLSA-N 698.955 7.333 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C#N)ccc43)cc2c1 34663553 DKJMAWIEBGBFPH-GOSISDBHSA-N 517.973 5.024 50 1 KKGF CCCCCN(C(=O)CCCCBr)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 36188471 HMRMTWUTVVIJSI-HIJVVHCSSA-N 537.627 6.802 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccc(Cl)cc2)=NC(C)=C(C#N)[C@@H]1c1ccccc1C(F)(F)F 40685289 LHOIZTRSTKYJAE-RHJHZWHGSA-N 508.949 6.308 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cccc([N+](=O)[O-])c43)cc2c1 49708783 CUUJCKOKECFPPI-MRXNPFEDSA-N 537.960 5.061 50 1 KKGF CCCCCCCCCCCCN(C(=O)c1ccc(CCl)cc1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 49709690 RVMVGEISTUABMU-FWAKAURJSA-N 625.382 10.021 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2[C@@H]2/C=C/[C@H]1SS[C@@H](C1([n+]3cc[nH]c3)CCCCC1)c1cc2cnc1N 85596436 GNROXYSWPRNIGB-VVGAZMOZSA-O 659.898 7.208 50 1 KKGF biogenic,in-vitro CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](c2cccc(O)c2)(CCN3)SSC1 85596460 DXBPTWWYRMKIGV-FJHQZYANSA-N 604.794 6.894 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 85597314 PCTCERRTFMFNGU-QGVLQDEZSA-N 734.937 6.651 50 1 KKGF biogenic,in-vitro CNCc1cc(O)cc([C@@H](NC)O[C@@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)c1 85597365 PCJDCFXOKJJIAN-RZFQCGOMSA-N 676.901 7.612 50 1 KKGF biogenic,in-vitro C=C(c1ccc(Br)cc1)[C@@H]1CO[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169356049 VOCYDUBRMCGVMY-YJBJRHHQSA-N 627.748 10.627 50 1 KKGF CC1=C[C@]2(C[C@@H](C)[C@H]3[C@@H](C[C@@]4(C)[C@@H]5CC[C@H]6C(C)(C)OC(=O)C=C[C@]67C[C@@]5(CC[C@]34C)OO7)O2)OC1=O 169640258 DHOUAQSFGRJTAE-QVWAOBNKSA-N 512.643 5.184 50 1 KKGF CC(C)[Si]1(C(C)C)OC[C@H]2O[C@@H](n3cnc4c(NCc5cccc(I)c5)nc(Cl)nc43)[C@H](O)[C@@H]2O[Si](C(C)C)(C(C)C)O1 170194584 LUAJXYDIXCJGPH-ZYWWQZICSA-N 760.222 6.911 50 1 KKGF CCCCCCCCCC[C@@]1(C)SC(=O)C(CCC)=C1OCCCCCCO[Si](C)(C)C(C)(C)C 195141750 XOGYEYYQHMAYSP-SSEXGKCCSA-N 526.944 10.202 50 1 KKGF COc1ccc(COCC[C@H](C)O[C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H](OC(=O)CCCN=[N+]=[N-])[C@@H]2OC(=O)CCCN=[N+]=[N-])cc1 195516977 KEMFXFONLNFIMG-DRXFVTFJSA-N 819.990 7.761 50 1 KKGF O=c1c2ccc(OCCCCBr)cc2oc2cc(OCCCCBr)cc(O)c12 299857554 FLOZQQKSTJBWAC-UHFFFAOYSA-N 514.210 5.760 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cc3cc(Cl)ccc3o2)[C@H]1c1ccc(F)cc1 587319475 BVLOYHBOVUQSEA-LADGPHEKSA-N 501.735 6.580 50 1 KKGF CCCCCCCCc1ccc([C@]2(CCCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587327016 OCVAZFZSKVYNGM-SMCANUKXSA-N 509.061 8.318 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)N[C@H](C)Cc2cc(Br)c(F)cc21 587685488 QXFFCUSFIJAHNP-ADEAQCODSA-N 716.092 5.741 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1OC 587688197 JQVYEAIVFAXSNV-JWIGPWBQSA-N 549.912 6.283 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 587709033 HKBNCRZJRDMHJS-LAJNKCICSA-N 519.764 5.052 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1[C@@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)N[C@H](C)Cc1cc(Br)c(F)cc13 587738417 AHKWQDWFNKGGLL-HLGDSRIHSA-N 719.780 9.141 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]1(c1cccc2ccccc12)c1cn(CCCCCBr)c2ccccc12 961946021 ACGYRBSZUJZUJK-QVHUMGQWSA-N 771.756 7.343 50 1 KKGF Cc1cc([C@@]2(CBr)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)s1 962575475 XAOADGHMQKYVKJ-GRKNLSHJSA-N 603.538 6.659 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 963175800 SCCIENPBEOBKQX-FPCLRPRSSA-N 725.728 7.204 50 1 KKGF C=CCOC(=O)C1=C(CCCCC[C@@H](C)O[Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)NC2=N[C@@H](C)C[C@H]3CC[C@@H]1N23 1772584892 FPIFSKOESQIOHP-FCRYVSRXSA-N 573.939 8.256 50 1 KKGF O=C(Nc1ncco1)c1cnc2c(SSc3cccc4cc(C(=O)Nc5ncco5)cnc34)cccc2c1 1772652850 XABQDVKTPWAYAO-UHFFFAOYSA-N 540.586 6.063 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(Br)cc4)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(Br)cc4)cc23)cc1 1857647065 YODXQRQGYAQRRE-UHFFFAOYSA-N 880.692 8.926 50 1 KKGF COC(=O)c1ccc(CN(C(=O)CCl)c2cc(C(=O)Nc3cccnc3Cl)cc(C(F)(F)F)c2)c(F)c1 1857651386 SYKNOHPCXSAHSF-UHFFFAOYSA-N 558.315 5.704 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OCCCO)C3)c2)N1 2356368445 PJXCMBHIQZLBRQ-QYNWUIRSSA-N 787.058 5.778 50 1 KKGF CCCCC[C@H](C[C@H](O)CO)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356409596 MYPIUKNZCUXEMS-CNGNJBIMSA-N 976.315 9.096 50 1 KKGF CCCCCCCCC[C@](C)(OC[Si](C)(C)C)[C@H](CC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 2356420226 SOTYPNYMOXVXKT-UNHORJANSA-N 868.700 11.797 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356452608 WJKCYHWSJBLXDX-MYCRBUHUSA-N 729.015 5.539 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@H]41 2356490094 WQPZBDVDAHNQIG-QFGNHERLSA-N 948.350 7.011 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H]2C=C[C@@H](C[C@H](CC=CCCC3CCCCC3)[C@@H](Cc3ccccc3)CSSCc3ccccc3C2)[C@H]1CCN 2356644321 BCONRCCLNCPPJW-UBIQRKSSSA-N 690.072 9.761 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@@H]3O)cc(Cc2cccc(O)c2)c1O 2356768626 PNUSVXASWCPECT-PIFRJFPQSA-N 790.956 9.078 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H](O)C[C@@H]2O[C@]2(C)[C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@@]3(C)O2)O1 2356794554 LGGTUGXQWLUADZ-XDFSJOLRSA-N 603.635 5.200 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)CSSCNC3=CC(=CCN3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356808811 AKIWOIGNNPHLBZ-VXWAZRQLSA-N 810.095 8.309 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356855674 RDTMUXOWDLDPNA-JYICNXGJSA-N 732.945 5.490 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)c1csc([C@H](CC(C)C)NC(=O)OCc2ccccc2)n1 15283330 FNMSKYFYFLZDOO-DQEYMECFSA-N 609.749 5.259 50 1 KKGF in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](O[C@H](NCCCCO)c1cccc(O)c1)CC(=O)CC2 85597383 YEHKBWHSWNNGLG-YSJGZBICSA-N 691.912 8.035 50 1 KKGF biogenic,in-vitro CC1=C(OC(=O)CCCCCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc2C1=O 95564130 FTDGFIIKJRRHEU-UHFFFAOYSA-N 617.746 8.388 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C(=O)NCCC)CC1)OO2 95606872 ZEYYXUCYFBNWKZ-ZFTDBBGLSA-N 746.983 6.690 50 1 KKGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@H]1C(C#N)=C(N)N(c2cccc(O)c2)C2=C1C(=O)CC(C)(C)C2 169310104 ZJVJNCHYIAPJDI-HHHXNRCGSA-N 531.620 5.013 50 1 KKGF C=C(CC[C@H](OC(C)=O)[C@@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 197290724 KLHKXTGRUQGLFW-MMNZDONDSA-N 671.710 7.130 50 1 KKGF C[Si](C)(C)Oc1ccc([C@H]2[C@H](C(=O)O[Si](C)(C)C)[C@H](c3ccc(O[Si](C)(C)C)cc3)[C@H]2C(=O)O[Si](C)(C)C)cc1 238752097 LKRSQFNXURZKDX-KXSOJQAOSA-N 617.052 7.984 50 1 KKGF C[C@@H]1CC[C@@H]2[C@@H](C)[C@H](OC[C@@]3(C)O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 299846438 RPVOJEKMAVTVFM-GXDJWCIYSA-N 550.689 5.216 50 1 KKGF CC1(C)C[C@H](Cl)CN(CCCC[C@@H](C(=O)OCCCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 299871557 YQKJRFICRRJOFW-GSDHBNRESA-N 525.605 6.380 50 1 KKGF COc1ccc2cc(-c3cnnn3[C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)ccc2c1 473134034 BCOPRDCHCMQOAZ-SKBVVQJISA-N 563.731 5.228 50 1 KKGF C[C@@H](Oc1ccccc1)C(=O)NCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587223744 FPMMMCZSJJGTJD-SNVBAGLBSA-N 500.287 6.067 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322433 HAPYCXUCUVWXQR-BIUQQOFQSA-N 576.407 6.598 50 1 KKGF O=C(CCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325684 GSVHPRGXIJPDSB-LMSSTIIKSA-N 501.941 6.011 50 1 KKGF O=C(Nc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1)c1ccccc1 587328126 SZDUQQQJGOBLHL-LITSAYRRSA-N 501.941 6.277 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3sccc3Br)cc2)[C@H]1c1ccc(F)cc1 587371814 DKDLTKNHGCULOW-OZXSUGGESA-N 588.292 7.672 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(I)cc1 587568294 HILULMGSZHEELP-GHTZIAJQSA-N 537.147 5.249 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1P(c1ccccc1)c1ccccc1 587607715 NLJTVPFDMHXILU-NYDCQLBNSA-N 502.506 5.853 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685398 PXDZRZROODBRFU-UIDQEFQQSA-N 511.863 5.898 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)-c2cc(C(=O)CCl)ccc2C3)N1 587686066 SKRKWYJZNROEHS-IYJVBRSBSA-N 533.268 6.598 50 1 KKGF CN(C(=O)NC(=O)c1c(F)cccc1F)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1 653857979 UTHRNJLESIJAJP-DRVPFVGDSA-N 647.426 6.228 50 1 KKGF CC(C)[C@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963100027 TWTZAIOOLVMYJW-JRTQTMPISA-N 778.394 5.408 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CNC(=O)CCl)(c2cccs2)N1 963176139 SNEUQHAJOONVKP-QGRQJHSQSA-N 637.205 5.627 50 1 KKGF C[C@@H](Br)[C@@]1(c2ccc3c(c2)CCC(=O)N3)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963578358 FBJPCWJLJMZHES-WTPASJBYSA-N 651.483 6.270 50 1 KKGF CCCCCCCCCCCC(=O)O[C@@]12C[C@@H](C)[C@@]3(O)[C@@H](C=C(C=O)C[C@]4(O)C(=O)C(C)=C[C@H]43)[C@@H]1C2(C)C 1857571304 VKAKLWOICPVBML-GRYPTCQRSA-N 528.730 5.638 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN3CCN(c4ccc(C(=O)NS(=O)(=O)c5ccc(NCC6CCOCC6)c([N+](=O)[O-])c5)c(Oc5c[nH]c6nccc-6c5)c4)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857772677 KRKJAXWNKBNZQP-SFTSYJTKSA-N 946.093 6.519 50 1 KKGF CCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1 2356326504 XYNWKOXRMZVNTQ-DKLZGPKJSA-N 661.792 8.962 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356350325 ZUZGPHNUFQLOEK-OLPWPVBYSA-N 815.067 8.352 50 1 KKGF CC(C)(C=CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@]2(C)C3=CC(=O)[C@@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C)OO 2356406160 ORHJTDMTWRWOIU-IMOWCRBUSA-N 518.691 5.018 50 1 KKGF CCCCCCCC[C@H]1CC2=C(C[C@H](CCCC=CCOC(C)=O)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356496976 VBECZCIXKOXEHS-SFTDATJTSA-N 532.630 5.289 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@@H](O)OC4CCCCC4)C3)c2O)C12CCCC2 2356597252 AMBOEYLMEUJYPF-RPLFJVTASA-N 935.351 10.804 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356711742 UHVZLINJVKMBMK-MIPWXATPSA-N 907.246 7.438 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@]35C 2356778412 UNVLLHPALOESCX-OXSAPLJESA-N 848.181 7.165 50 1 KKGF CC(C)CCc1cccc2c1CSSC[C@H]1C[C@@H](CC[C@@H]2CCc2ccccc2)CN2C[C@H]3[C@H](CC[C@@H]4[C@H]3C[C@@H]3[C@@H]4C[C@H](O)[C@@H]4C[C@H](O)CC[C@@]43C)[C@](C)(O)[C@H]12 2356834210 KMFQARLVEHMHSY-HGRWOONPSA-N 800.272 10.565 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCC8)C[C@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@H](O)c2ccc1c3c24 2356852012 QMEUDKCCGQCQLC-OKBQULLYSA-N 939.213 7.258 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@@H]2[C@H]1CO 2356867494 WSGMSXWFGNMVNE-CDBYSAQXSA-N 748.020 6.568 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@]5(C)CC=C[C@@H]4O[C@@H]3C[C@H]2O1 263591628 LYTCVQQGCSNFJU-PEFBAJSXSA-N 895.096 5.472 50 3 KKGF Fc1ccc(C(OC2C[C@@H]3CC[C@H](C2)N3CCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 13470738 TVUOOUQDGYWZPB-ULJKERAFSA-N 504.646 7.433 50 1 KKGF CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43011622 RMQHXMGSAMRCTA-AQDCFKPOSA-N 552.741 5.110 50 1 KKGF BrCc1cc(Br)c2cc(NBr)c(Br)c(Br)c2c1 64548684 CDKHCLZLPDVZNC-UHFFFAOYSA-N 551.696 6.744 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CC[C@@H](C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169354557 YCOIJPSIDUQDNN-PYDLJIFXSA-N 812.448 5.694 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189882 FZOZUBZAOMJIOV-LHVFGLNGSA-N 815.964 8.877 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)c1ccccc1C2=O 587323467 KJDTXXCVTWGBKL-WRWBRIHHSA-N 541.962 5.944 50 1 KKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1F 587337357 VJUBHMAYZFSQEA-LMSSTIIKSA-N 507.964 6.880 50 1 KKGF Cn1cc([C@@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587548680 OXZJCNWSLBTCBN-UNZVWDSUSA-N 610.563 7.858 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(Br)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587670671 MILSWJAJYSNSLY-LIBAHTEVSA-N 506.051 5.912 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)([C@@]23OC(C)(C)O[C@@H]2C[C@H]2[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]23C)N1 587719273 PVXWUPCVMKAJPI-KNIYJDSMSA-N 669.047 6.652 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#CCc1cc(CBr)c(CBr)cc1CBr 587874655 FDVQXDSFAXEECE-UHFFFAOYSA-N 610.999 6.583 50 1 KKGF CN(C(=O)CCl)[C@@]1(c2ccccc2Cl)CCCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961618174 XSCDBTLGAGQEQD-LOSJGSFVSA-N 522.314 6.143 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(c1ccc(Cl)c(Cl)c1)[C@@H](Cl)C(=O)c1ccc(Cl)c(Cl)c1 962396388 GQWPMGOBKHMPBD-RRPNLBNLSA-N 598.810 8.492 50 1 KKGF Brc1ccc([C@]2(C(Br)Br)c3ccsc3CCN2Cc2cccnc2)cc1 963002369 ZRKGPRMIICYKOX-HXUWFJFHSA-N 557.149 6.323 50 1 KKGF CCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@@H](Cl)CCCCCC)c(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c1 1772637461 XYNWKOXRMZVNTQ-HCUFQUCLSA-N 661.792 8.962 50 1 KKGF N#Cc1c[nH]c2ccc(NC(=O)C3CSSC3)cc2c1=Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 1857543033 XSGCQHSBQMZVQA-UHFFFAOYSA-N 551.068 6.593 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@](=O)(O)CO[C@H](C)Cn1cnc2c(N)ncnc21 1857611783 FJKRPZVSISXPER-XMMPIXPASA-N 603.836 7.836 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4cccc(O)c4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4cccc(O)c4)cc23)cc1 1857748829 KXCJLVIVCAQNDP-PFUSVQNESA-N 660.734 7.077 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@]31CC[C@H]([C@H](O)[C@H](O)C4)[C@]15C 2356357235 QXOHGBWUEARJIL-BIKDOZGMSA-N 850.197 7.389 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@@H]2O)c1O 2356369157 VTWHRWSAKJHWQU-SATBQASPSA-N 712.927 7.694 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NC3(CCCC3)SSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356400687 HCBUFFYTWAZLRV-CRPNETQLSA-N 955.345 9.249 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@@H](C)[C@H](OC(=N)O)c2cc(O)c1c(O)c2 2356420577 GTNWJJTZQLWLEN-PSEBVYMRSA-N 739.778 11.048 50 1 KKGF COC1=C[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@](O)([C@H](C)O[C@H]6O[C@@H]7OC[C@@]8(C[C@H](OC)[C@@H](O[C@@H]9C[C@H](OC)[C@H](O)[C@@H](C)O9)[C@H](C)O8)OO[C@@H]7[C@@H](C)O6)[C@@]5(C)CC[C@@H]43)C2)C1=O 2356471903 FDBYPFLHFZCXCR-QJCNMFQFSA-N 923.103 5.123 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@@H]1O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@@H](O)c2nc(C(C)=O)cs2)[C@@H]1C 2356500309 RGMRJERYAWLGFL-JBNWYNAVSA-N 623.854 6.308 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@@H]2[C@@H]1C 2356820714 FNQPXWMQYRZHBX-VPGMIRPJSA-N 800.140 9.298 50 1 KKGF O=P1(N(CCCl)CCCl)Oc2c(Cl)cc(Cl)c(Cl)c2Cc2c(Cl)c(Cl)cc(Cl)c2O1 1855871 GDVNQKDPLWLIKA-UHFFFAOYSA-N 592.885 8.857 50 1 KKGF CCC/C(=N\NC(=O)c1cc2ccccc2cc1O)[C@@H](CC)C(=O)CCC(=O)N(Cc1ccccc1)Cc1ccccc1 5890938 FOVNXGUJLKOQDP-TUKOXDCHSA-N 577.725 7.036 50 1 KKGF CCCCC(CCCC)N(NC(=O)c1cc(OC)c(OC)c(OC)c1)C(=O)c1cc(F)c(OC)c(F)c1F 43067903 JBRAZSUKCFVEOH-UHFFFAOYSA-N 540.579 5.675 50 1 KKGF CCCOc1c(C(=O)N/N=C(/C)c2ccsc2)sc(C(=O)N/N=C(/C)c2ccsc2)c1OCCC 49709864 PNQDNYWKBPILIY-YXHOTNNGSA-N 532.713 5.757 50 1 KKGF COc1ccc2nc3cc(Cl)ccc3c(N3CCN(C(=O)C[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)CC3)c2c1 49888796 GHHWKIGEZFJHHZ-RDDKVSGWSA-N 636.189 6.339 50 1 KKGF Cc1c(O)cc2c(c1O)C(=O)[C@@]1(Cl)C[C@@H](Cl)C(C)(C)O[C@]1(C[C@@H]1C(C)(C)[C@H](Cl)CC[C@@]1(C)O)C2=O 83924485 XGGIVXWAYKZBIV-LKTKKOQYSA-N 547.903 5.493 50 1 KKGF in-vitro CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSSC[C@H](C)C/C=C/4OC5=O)[C@@H]21 85571175 ZSYRVTXKKPIVGB-QFRMJPBOSA-N 685.868 6.592 50 1 KKGF biogenic,in-vitro C=C1/C=C/C=C(\[C@H]2CC[C@@]3([C@H](CCCO)/C(=C(\C)C=O)[C@H](CCCO)C[C@@]3(C)O)[C@@H]2O)COCC#CC/C(C)=C/CC1 103525614 LDQNLPZZUAQZKQ-PYBLLRLESA-N 580.806 5.380 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@@H](C[C@@H](O)CSS1)[C@@H](O[C@H]1N[C@@H](CCCO)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 150347655 XKMHQXRHADLLNF-NHXHDOSPSA-N 929.211 8.156 50 1 KKGF biogenic,in-vitro CCCC[C@H](C)/C=C(\C)C(=O)O[C@@H]1CC[C@H](C(=O)OP(=O)(OCC)OCC)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716308 OABATNHEYFSJFT-IGQMCESTSA-N 566.628 6.226 50 1 KKGF C[C@H]1CCCCO[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)[C@H](C)CN(CCO[Si](C)(C)C(C)(C)C)C(=O)c2cc(NC(=O)Nc3ccccc3)ccc2O1 195514680 OFHPVULCYHFNMS-BXOLPRIUSA-N 785.068 8.227 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(C)cc1-2 253639824 UQVDZBYEFISGNU-QGZVFWFLSA-N 552.251 6.778 50 1 KKGF COc1cccc(F)c1CN1CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](NC(=O)c2ccc3[nH]nc(-c4ccc5nccn5c4)c3c2)C1 261173006 UDSOQCWAMOZOQI-DGPALRBDSA-N 628.825 6.420 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 587060514 GMTZILSWFHRLNX-UHFFFAOYSA-N 500.674 7.958 50 1 KKGF FC(F)(F)c1ccn(Cc2cc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)no2)n1 587118607 OYIHASMJTFDIJR-UHFFFAOYSA-N 538.218 6.901 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191177 QNCRSABVLWSDOJ-UATTUGJOSA-N 693.829 6.888 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(CO)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191397 UAHLCJLMPCBXKY-JAJUVVLESA-N 591.793 6.087 50 1 KKGF C[C@H](Br)[C@]1(c2ccc(OCC(=O)O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323755 SYFCWLVTRREJNT-KBOJRLNKSA-N 515.331 5.033 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@]23N[C@H](C)Cc2cc(Br)c(F)cc23)C1 587737504 FPMNUFGFXVKYGK-FCDTWBHVSA-N 670.445 7.627 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 587843041 YAWMMDANBNBKEI-BFUOFWGJSA-N 593.371 5.647 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587850605 QTJMADWAMPIHHE-IIMAJNMQSA-N 532.437 6.587 50 1 KKGF COc1cc(OC)c2c(C)c(C(=O)NNC(=O)c3c(OC)cc(OC)c4c(-c5ccc(Cl)cc5)c[nH]c34)[nH]c2c1 653716237 ARBSKAHSNGVWKX-UHFFFAOYSA-N 563.010 5.387 50 1 KKGF COc1cc2c(cc1OC)[C@]1(c3cc(Br)cc(F)c3C[C@H]1Br)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683507 YOGZRXYKLLQESN-AOYPEHQESA-N 643.269 6.886 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@]2([C@H]3CC[C@H](C3)[C@@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039329 MZQDGEBFJRZMPT-UDCPCOAHSA-N 550.001 6.458 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@@]12CCCC1=C2[C@H](c2ccc(Cl)cc2Cl)C(C#N)=C(N)O1 963142834 LLMMBODMFLHBEP-SRLOGKKOSA-N 589.501 5.837 50 1 KKGF COc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2c3ccccc3cc3ccccc23)cc1 1857577605 VJIABWMHIWNXDK-XMCFPTSRSA-N 661.758 7.988 50 1 KKGF CCC=CCC=CCC=CCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCC=CCC=CCCCCC)CO[C@@H]1O[C@H](CO)[C@H](OO)[C@@H](O)[C@@H]1O 2356285034 ZOXXEOPHAYLXLA-DKSYBEQFSA-N 793.092 9.158 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSS[C@H]2CCc3c(cc(OC)c(O)c3O)[C@H]2CC(=O)C[C@H]1OC(C)=O 2356481505 RMYMXOUYPXUOAF-CDTSBTHOSA-N 547.739 6.099 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](O)c2cc(O)c1c(O)c2 2356652658 LERNCFONJSWYRR-LCRCYMICSA-N 653.728 10.014 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=CC=C(C)C=CC=C(C)[C@H]1C=C2C(C)(C)CCC[C@@]2(C)OO1 2356652905 UUDZWPOVNSESPO-ATUKEALCSA-N 568.886 11.749 50 1 KKGF CN1C[C@H](Cl)[C@@]23C(=Nc4cc(Br)ccc42)N(C)CC[C@@]32Cc3ccc(Br)cc3N=C12 2356820441 FKYDRUSZQJYVQJ-AJSBUHFISA-N 548.710 5.654 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@@H](N)c5ccc6c(c52)CC2=C5CN(C=C5N=C2)[C@@H](O4)[C@@H](C#C[C@@H]6O)C2(C#CO3)CCCC2)CC1 2356844646 NXNBSRDHXAWEPF-YIWNKINFSA-N 829.101 7.147 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@H]43)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356846089 OKAIWSTZLISKGE-SZSBYHTJSA-N 834.117 9.711 50 1 KKGF CCOc1ccc(/N=N/c2ccc3cc(/C(C)=N/NC(=O)/C(C#N)=C\c4ccc(N(CCC#N)CCC#N)cc4)c(=O)oc3c2)cc1 5734125 TYEUFUBVEZDKAN-RGKYFHCCSA-N 626.677 6.688 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCC[C@H](O)/C=C/C=O 8437604 LQATVQHXAXOSAU-PQMQNFANSA-O 650.811 6.049 50 1 KKGF in-vitro CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(OC)c1)C(=O)Nc1ccc(C)cc1-2 44052707 PMWOCSNEQXYBPS-GGBVODQZSA-N 537.280 6.878 50 1 KKGF CCCCCCC[C@@H](OC(=O)[C@@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 49832985 JUHDXMFVSBYYOZ-PQHLKRTFSA-N 683.629 6.459 50 1 KKGF NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)[C@H](O)C2CCC(O)CC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 85505451 GQZGNRFZYWIVHF-JQGLZBOBSA-N 700.020 6.537 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CC2=O)C[C@@H](N=C(N)N)CSSCCCCCC[C@H](O)C1 85627382 FBGZIXONESFIDG-SKQKNPCBSA-N 664.935 5.055 50 1 KKGF biogenic,in-vitro CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)c(F)c1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96907825 AJUHNNOVEQUUGB-PMERELPUSA-N 608.048 7.771 50 1 KKGF Cc1cc(-c2ccc(OC(F)(F)[C@H](F)Cl)cc2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103174170 GWTSCYLKUVXPEM-NRFANRHFSA-N 516.347 7.485 50 1 KKGF C[C@H](O)CNC[C@H]1C2=C[C+]([C@@H](O)COc3cc(CCc4c[c-](CO)c(CCCCC[C@H]5CSSCc6c(CO)ccc7c6C=C[C@@H](C[C@H]5N)[C@H]7O)[o+]4)ccc3O)N=C2CC[C@H]2CCC[C@@H]21 150347794 MMVWSCSDRDLZSU-JQSUQCLFSA-O 929.279 7.912 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@](C)(Br)[C@H](Nc3ccc(O)c(CN4CCN(Cc5ccccc5)CC4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 150612695 MPJLJNUQEDAJRZ-MDYPJKPOSA-N 642.635 5.847 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4CC[C@@H]3[C@H](C)CCCC(C)C)C2)OO1 169358771 YATYPXRGTQGFLI-FCQCRBLOSA-N 578.878 9.873 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)c2cccnc2)C1 169851872 CPFRYINYUBIIDM-NSRSPUJCSA-N 511.867 8.338 50 1 KKGF C=C(C)[C@@H](CC[C@H]1C(=O)O[C@H]2C[C@]3(C)C4=CC(=O)[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]21)OO 255261451 QRFKWBARTXTCMY-BKKIMGTASA-N 500.676 5.498 50 1 KKGF CSc1ccc(S(=O)(=O)NCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1[N+](=O)[O-] 586940805 GNSPFXPTPSCTPR-UHFFFAOYSA-N 504.484 5.329 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1 587326613 MCBHUCRJNHYIPY-MFMCTBQISA-N 520.000 6.831 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)[C@@H]1c1ccc(F)cc1 587328628 JSIAWFZFTMUKEM-IFMALSPDSA-N 574.162 6.962 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@]2(c2ccccc2Cl)N(C)C(=O)CCl)N1 587682907 DZVXEQVLBPDOMQ-PQRODAJWSA-N 528.293 6.138 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587842355 DYEHBCIVXLTLLL-RZDWPUGNSA-N 578.076 7.715 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](Oc5ccc(O)n5-c5ccnc(CCl)n5)CC[C@]4(C)[C@H]3CC[C@@]21C 587940107 MBPYNBBLBSXRNI-APTGCCNASA-N 594.284 9.501 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3ccc(Cl)cc3Cl)ccc2O)C1 618018177 VHTMIXFGYREXRH-SFHVURJKSA-N 556.581 5.277 50 1 KKGF COc1cc2c(cc1OC)[C@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]31C)N(C)[C@H](C)C2 962639194 PSGIKHBHKOUPFZ-BWOSGTCFSA-N 646.652 5.956 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]1(CBr)c1ccc(S(=O)(=O)CC)c(Cl)c1Cl 962991036 SKPGKTURFWVLNI-LJAQVGFWSA-N 703.866 6.754 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2ccc(I)cc2)N1 963169148 HGRCDSQNDZAXPF-RDJZCZTQSA-N 574.562 5.201 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNc1cc(ccn1)[C@]1(CCC2(CCCC2)C1)C[C@]1(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]1O 2356299374 AYOWVKCQDWOWLU-WWULRHBHSA-N 901.113 5.707 50 1 KKGF CCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c1 2356334531 IWIZOMWAHIZTOM-ZRRLBPLHSA-N 675.819 9.352 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@H](C)C1(C)C)O[C@@H]2O 2356390789 CTHUSBFULVXKNC-XPQJPCKOSA-N 711.081 11.056 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1cccc(CO)c1 2356443980 GCYFHEDPPVNSBY-AAEOHQKSSA-N 673.897 8.240 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](O)[C@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)C1 2356641632 WKPXZZKUCLAECJ-DMYWCZKRSA-N 706.619 11.307 50 1 KKGF CO[C@]1([C@@H](C)C(=O)OC(C)(C)C)CC(=O)C(C)(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 2356705917 JHQZCODFIZJGDP-JAIMUXRZSA-N 554.800 5.268 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(CO)C[C@@H]3CNC(=N)N[C@H](C)O 2356711573 FSYNRQXLVGKIHZ-DTGIZDMYSA-N 941.359 5.581 50 1 KKGF CO[C@H]([C@H](O)CC(=O)[C@H](C)[C@H](O)CC[C@H](C)[C@@H]1O[C@]2(CC[C@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C)[C@H](OC(=O)CCC1=C(C)C(=O)OC1=O)C(C)C 2356752871 AMFQLUYJIGWDCU-UTKGWDAKSA-N 750.967 5.815 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356776041 CRDHWQJVDBBPCX-XQQQANMHSA-N 625.941 7.167 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)CCC=C(C)C 2356777770 CUSSHMPZQDJBPY-VELHQZIHSA-N 579.822 5.116 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356833270 ZUANDHVDDDCXKC-IAAOCKDJSA-N 714.930 6.632 50 1 KKGF COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(NC(=O)N/N=C\c3cccc(Cl)c3)n2)cc1OC 49803417 ADLRSEVHLQZMCP-FDVSRXAVSA-N 522.392 6.290 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@@]34C[C@H](CSSCc5cccc(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549290 UXVJLMNTFSDVTF-PNNROOEESA-N 756.182 7.964 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC)c1O 85567824 WGLJQQLCVWJDTQ-PNOYGPMVSA-N 610.794 7.210 50 1 KKGF biogenic,in-vitro COc1cc(O)cc2c1-c1ccc3c4c1[C@@H](CSSCc1cc(O)c(OCCNC5CCCCC5)cc1[C@@H](O4)[C@H]3COC(C)=O)C2 85568408 CGEASRFEAXVAAG-RCYGZWSISA-N 663.858 7.390 50 1 KKGF biogenic,in-vitro C=C(C)c1cc2c(=O)c3c(O)c4c(c(/C=C/C(C)(C)OO)c3oc2c2c1[C@](O)(C(=O)OC)CC2=O)OC(C)(C)C=C4 85739971 DHSZUELPJXKISQ-IGAMDVJPSA-N 562.571 5.098 50 1 KKGF endogenous,in-man CCCSC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 95605500 BSYFOZJMVYISHK-OZUMBJIGSA-N 547.802 6.221 50 1 KKGF C[C@]12CC[C@@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@@H]1CCC(=O)N2 195479755 JMZJBCNHUJOLER-LKDNARTHSA-N 563.610 6.336 50 1 KKGF CO[C@@]12C=C3C(=O)c4c(O)c(CC=C(C)C)c5c(c4O[C@@]34[C@@H](C1)C(C)(C)O[C@@]4(C/C=C(\C)C=O)C2=O)C(C)(C)[C@H](C)O5 238748987 LLUOWYAXWXVGKY-MFRREFBKSA-N 576.686 5.270 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)COC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)CC[C@H]23)C1 254102485 OKPXOAYGQQZPIK-ULAZNFERSA-N 883.183 15.001 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(C(=O)Nc4ccc(CN5CCN(C)CC5)cc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057624 VVLSDHLSFSNQLK-OVVQPSECSA-N 638.603 7.341 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2c1 587077246 SMHSBSDYYWWQNJ-AWEZNQCLSA-N 502.690 7.253 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587424908 XREBWOYPWBMWMV-YGZHSZCHSA-N 639.160 6.327 50 1 KKGF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccc(CBr)cc21 587537447 FMXIANLPYXYVQM-YWEHKCAJSA-N 513.343 5.737 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 587711177 WHOQSIWAAXRHMA-GTJPDFRWSA-N 519.764 5.052 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1cccc(Br)n1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678016 NUGBTVYQTQISFS-DEOSSOPVSA-N 614.256 6.217 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1ccc(Cl)cc1 962961897 XDKFVAQAUPQJSQ-UZTOHYMASA-N 537.453 7.289 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039139 UAAGADDDEUTGQD-BVGRYSDNSA-N 740.384 8.826 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc3c(c1)CCN3C(C)=O)([C@H](C)Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963732525 UPRYQTYCRBIMAK-FPYOTAMTSA-N 586.088 5.233 50 1 KKGF Cc1cccc2c1[C@](c1ccc(F)cc1)([C@@H](Cl)C(=O)c1ccc(F)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963831453 GQGUFJLQCBXVJE-YIHZDXAJSA-N 570.032 6.644 50 1 KKGF CC1(C)Oc2c(c3nc4c5cccnc5c5ncccc5c4nc3c3ccccc23)C[C@@H]1I 1857619970 PZUIXEFKKGARKU-IBGZPJMESA-N 542.380 6.550 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356543042 KICFRMDKTWYILV-YPDVHBNZSA-N 851.193 7.608 50 1 KKGF CC(C)(C=CC[C@@]1(C)[C@H]2CC[C@@](O)([C@@H]3Cc4cc(C(=O)O)ccc4O3)C[C@@]2(C)CC[C@H]1Br)OO 2356565107 PHHNLIYTQGXJRF-KJPHEOQMSA-N 537.491 6.004 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@]31CC[C@H]([C@H](O)[C@@H](O)C4)[C@@]15C 2356611224 PIYWFURNNOGWMG-LZWVNZOISA-N 880.223 6.607 50 1 KKGF CC1(C)[C@@H](O[Si](C)(C)C)CC[C@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@H]3C[C@@](C)(CO[Si](C)(C)C)CC[C@]3(C(=O)O[Si](C)(C)C)CC[C@]21C 2356651955 JAEMARCYWIQCHR-VUSNJHOPSA-N 689.259 11.218 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C12CCCCC2 2356769676 KZBVKJOVRMEVHK-JQDPBFIZSA-N 967.386 8.569 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356777278 RIWIQZBJCOZPIZ-QTKNLHBISA-N 719.027 6.797 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 2356815363 CQICSDPGELOJQB-WQMFAKIRSA-N 985.415 9.916 50 1 KKGF C=C1CC=CC(C)(C)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@@H]1Cc1cc(C(=O)O)ccc1O 2356836124 KXLIXIDTMVKERB-QRSXMVCTSA-N 613.374 8.070 50 1 KKGF CCc1nnc(NC(=O)/C(C#N)=C/c2ccc(OCc3ccccc3OC(F)(F)F)c(OC)c2)s1 13584653 DUABHTXFYJRUEP-MHWRWJLKSA-N 504.490 5.132 50 1 KKGF COc1ccc(N(C(=O)CCl)[C@H](C(=O)NCCc2ccccc2)c2ccc(Cl)s2)cc1Cl 66156580 CURVSIRRHYEYDT-QFIPXVFZSA-N 511.858 5.736 50 1 KKGF CCOC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCCN1C(=O)CN=C(c2ccccc2)c2cc(Cl)ccc21 82182161 IDHGEFGDZPCYJX-LJAQVGFWSA-N 672.053 5.879 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@@H]5C[C@@H]1C(C)(C)O[C@@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 101159195 COQAPWLZSHQTKA-GKBVCLABSA-N 544.644 5.627 50 1 KKGF in-man C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCN(c3c(F)c(F)cc(F)c3F)[C@H](CC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169299395 OQGCWBXPRKRHRU-JHMUKQQCSA-N 882.986 7.680 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1)[C@@H](NC(=O)c1ccc(C#N)cc1)[C@H]1CC=CCC1 194885378 QMMNPJKVOZYGDW-KOUWNTBJSA-N 634.777 6.162 50 1 KKGF CCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253991707 QDLRLYPWXMVZLU-SNGNQJLBSA-N 577.501 5.830 50 1 KKGF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2N1 587123806 JZQFKDVBOHLIJM-KSBSHMNSSA-N 526.251 7.154 50 1 KKGF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Cl)c1 587159694 UCJULNUXEXSHAO-IBGZPJMESA-N 557.741 8.944 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587328537 JLSGEUGVNBFKDF-RBBKRZOGSA-N 563.263 7.218 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)CCCC2 587376303 WMOFSFCVWSLCAK-DLFZDVPBSA-N 562.062 6.952 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(F)ccc(Br)c1Cl 587555014 KGIPQMYJCOERLA-LAUBAEHRSA-N 542.582 6.199 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)c1 587614362 SADBZCQMPILDRX-LBNVMWSVSA-N 506.023 6.618 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cc(Br)ccc2O)N1 587674201 ULHZUTRUABCNBM-XLFHBGCDSA-N 508.023 5.229 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)([C@H](Cl)C(=O)c2ccccc2Cl)N1 587689252 RFJKDHDCYAONOP-DHTHFVMWSA-N 541.675 7.163 50 1 KKGF C[C@@H](Cl)CCCn1cc([C@@]2(C3C(C)(C)C3(C)C)NCCc3cc(-c4ccccc4)ccc32)c2ccccc21 962666848 SLYAHIDYAPELNY-COOREUGTSA-N 525.180 8.787 50 1 KKGF COc1cc2c(cc1OC)[C@](C)([C@H](Br)Cc1ccccc1F)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670719 HYZMKTPBWJHVRQ-XNMGPUDCSA-N 580.416 6.782 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(c3ccc(Cl)cc3)[C@@H](Br)c3ccccc3)c(O)c2C(=O)O1 962976202 VJXDUWLTYNKFBH-AASINCQXSA-N 695.393 7.332 50 1 KKGF Cc1cc([C@@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc2c(c1)OCCO2 963041005 PTOVXLCKTRLIDZ-VQOCUYOESA-N 711.161 7.886 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2cnc(Cl)nc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963101892 WYTFNXMHYOXRQN-DITALETJSA-N 624.966 7.072 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2c[nH]c3ccccc23)([C@@H](Cl)c2ccccc2)N1 963182426 OXVHZFUIZHHRQK-GRYUFTJMSA-N 519.350 6.663 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](c2cccc(C)c2)([C@@H](C)Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369991 ZYYVULDEWUBVSO-VVDQUTBRSA-N 626.547 7.076 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937145 CQZXAIYNUVETNK-AAMSPUDASA-N 920.584 8.239 50 1 KKGF Cc1ccc(Cl)cc1-n1nncc1CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c2nc4ccccc4nc2c2ccccc32)c2ccccc21 1772572195 QYBIQNCKQKZBBX-QNGWXLTQSA-N 647.098 6.398 50 1 KKGF N#Cc1ccc(Cn2cc(CN3c4ccc(/C=N/NC(=O)c5ccncc5)cc4Sc4ccc(C(F)(F)F)cc43)nn2)cc1 1857571155 DZTLWGBNTRJUMU-YLYVUXRMSA-N 610.625 6.179 50 1 KKGF COc1ccc2[nH]c(C)c([C@H]3C(C#N)=C(N)Oc4c3cc(/C=C/C(=O)c3cccs3)cc4C(C)(C)C)c2c1 1857745929 OAUBRUPAMNADNR-MSMCMOKRSA-N 523.658 6.958 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)c5cc[nH]c(=N)c5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@@H](O)CCCC1 2356293660 JHBTVEZRVGVQTC-LBPQUNGGSA-N 748.024 6.158 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@@H](O)SS[C@H]7C=Cc8c(ccnc8N7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356300214 MDSAGAGARKKCKK-DBMHLZRBSA-N 670.897 8.010 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O)CCC=C(C)CCCC(C)C 2356485800 SZTGJQWCAPKGOY-LLVSEJAISA-N 630.907 6.154 50 1 KKGF C[C@@H]1CO[C@]2(C[C@H]1C(Cl)Cl)O[C@@H]1C[C@H]3[C@@H]4CC=C5C[C@@H](O)C[C@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 2356564782 CHKSBIWGMUSRLX-QIZDBVPYSA-N 513.546 5.715 50 1 KKGF CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)NC(=NC)NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@@H](CCCCC)C32CCCC2)C1 2356777705 BTAPTQCIYNXGJT-ZWLKONRYSA-N 937.367 11.052 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 58468828 NTEFTJLQWMQCKO-ADZGYQDLSA-N 590.798 7.289 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@H]5/N=C(\N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](CO4)C3)CCCC1)CC[C@@H](O)CC(=O)CC2 85626360 BJUOAJXOWWUOMS-BFMYWMFZSA-N 801.088 5.700 50 1 KKGF biogenic,in-vitro CCOC(=O)c1cc(Cl)ccc1/N=C(/S)OC[C@@]1(C)O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 103195938 NLNPZGSCUUWMKR-KZNCEWRJSA-N 526.051 5.455 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@]14CC[C@H](C[C@H](CCc5ccccc5)C[C@H](O)CO)[C@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@@H]1O)C4 150349104 SRJAFLPTMIONLG-VVWCBNBQSA-N 1009.320 8.935 50 1 KKGF biogenic,in-vitro C=CCNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(Br)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccc(Br)cc1)C(C)C 150611557 QFFTWHPSVCUMSD-JVLQLMMJSA-N 795.614 5.013 50 1 KKGF CC(C)COc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 169325186 LXWSSRSKGLKSCQ-BXUPLMHSSA-N 535.431 5.449 50 1 KKGF C/C(=C\[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195384971 WRSMSHMFZJPGSD-OALNTKBRSA-N 615.830 7.769 50 1 KKGF COCC(=O)OCC(=O)[C@]1(OC(=O)c2ccco2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@]21C 299806307 BQRMSQJXAYZAON-HTYOJIRXSA-N 593.500 5.067 50 1 KKGF Cc1cc(C)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(Br)c1 587321101 IFBLAGKIIKKAEK-UPVQGACJSA-N 534.219 6.560 50 1 KKGF O=C(CCCl)Nc1ccccc1[C@@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587326559 LWWBHGMYOHHFBM-MFMCTBQISA-N 515.968 6.401 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2Br)[C@H]1c1ccc(F)cc1 587333489 KOCKKWMAAPOBOY-RBBKRZOGSA-N 524.155 6.082 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@@]1(C)Oc3cc(O)ccc3C(=O)[C@H]1c1ccc(F)cc1)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587353989 ONFUSGIRDQFQEQ-ZRGPUWNLSA-N 995.188 7.859 50 1 KKGF COc1ccccc1[C@@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619879 VIENFHSIUPGOAI-JOMNFKBKSA-N 576.070 6.424 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc2c(c1)OCCO2 587687063 FHLHYEITTXBHNA-PWECECGKSA-N 519.842 5.784 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 587736952 CNAQZANWNUSGKD-QLCIJSRNSA-N 729.340 6.443 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(C(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 653699193 FLZZIHSHOMJHFV-CHSHITCJSA-N 625.623 7.214 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@H]([C@H]2NCCc3nc4ccccn4c32)C[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 962986274 RUWBAWSXSQFJFP-QSOCVKKASA-N 624.902 6.113 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@@]12N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963180477 NFKQDAGXHWJVGI-OYDLWJJNSA-N 563.831 5.973 50 1 KKGF Cc1cccc2c1[C@](CBr)(c1c(-c3ccccc3)noc1C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963842230 WBPUTLBVIGHIOR-LYZGTLIUSA-N 555.469 6.233 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccc(Br)c(F)c1CBr 963903661 CYARTJROCPUWIH-IVZQSRNASA-N 571.281 6.517 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(CBr)c3c(F)cccc3Cl)nc(Cl)nc21 963918235 XSTNIAOSKOYROS-DEOSSOPVSA-N 565.274 6.260 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc4c(C(F)(F)F)cc(=O)oc4c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857744566 FJVSLHZFHDINHJ-MDBKESQDSA-N 540.531 5.415 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCN(c4cc(O/N=[N+](\[O-])N5CCOCC5)c([N+](=O)[O-])cc4[N+](=O)[O-])CC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 1857755015 CJCPRUROHYKGBT-AKKLAZCWSA-N 871.005 6.875 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356295485 ZSDQGZXIJCXAIX-VZYPOGDGSA-N 741.976 7.534 50 1 KKGF CCC[C@@H]1[C@H]2C=C[C@@H]3C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356309860 URKTWDQXURMLIT-OFVQBKBTSA-N 854.151 9.618 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356365375 LFJKTDQYIGCMFY-KIIASGQMSA-N 666.006 8.307 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CC[C@H](O)CCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356365792 RXYOMWGCEABMTL-BDDSITQZSA-N 946.279 6.278 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)cc(OC)c1O 2356366584 MGIUTZRZCXKTDY-OULSZYJKSA-N 666.858 6.889 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4C[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@@]34C)[C@@H](O)CC1=C1CCCC2(CCCC2)C1 2356370833 UNQUAMKASISBPQ-YWBZTTJHSA-N 793.193 8.874 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@@H](O)[C@H]64)[C@]12O 2356407876 NODWWAPGCKGBPS-XKEYYQNMSA-N 984.471 9.946 50 1 KKGF CC(C)=CCCC(C)=CC[C@@]12C[C@H]3C[C@H]4C(C)(C)OO[C@@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356439072 DCSFMYBSUBGTPD-VRJKJIJGSA-N 618.811 6.968 50 1 KKGF CC=C(C)[C@@H]1O[C@]2(CC[C@@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C(C=O)[C@]3(O)C[C@H](O)C(C)=C[C@H]3C(=O)O1)O2 2356520893 CHCOJVIDIGKSLY-WHTRJOKPSA-N 568.751 5.671 50 1 KKGF CC1=C[C@H](OC(=O)c2ccccc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@@]2(C)O[C@H]2CC1 2356601494 XIMCRDWINCBROY-OCFGKIJASA-N 681.782 7.178 50 1 KKGF C[C@H](O)CNC[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCCC[C@@H]5CSSCc6cccc7c6C=C[C@@H](C[C@@H]5N)[C@@H]7O)o4)ccc3O)[nH]c2CC[C@@H]2CCC[C@H]21 2356636949 AKVRVVKPGWHRHS-UEISXKBVSA-N 900.261 8.828 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)C1(CC=C(C)CNCC)CCCC1 2356748129 XBWXSIVPEMEOMI-VEANVBOTSA-N 626.923 5.320 50 1 KKGF C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)c(C)c(O)c(NN)c1C2=O 2356830032 JDIMYUISUUVXTD-SBKHFRJOSA-N 599.983 6.386 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@@H](C2(n3ccnc3)CCCCC2)SSC1 2356847031 OSYAIWFMEAOHLJ-APGVPQPOSA-N 662.922 7.014 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356851732 QJAZLCXWDPDILR-LHBBNALGSA-N 786.113 8.766 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3cccs3)c3ccccc3n2C)c(C(=O)Nc2cccs2)c2ccccc21 27725071 PBNDAYGBTOORCP-UHFFFAOYSA-N 574.778 8.097 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCC(N4CCCCC4)CC3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145561 RRHYIINQXNVNQU-MGWGWICHSA-N 641.941 7.683 50 1 KKGF Cc1c(/N=C(O)/C(C#N)=C2\SC=C(c3ccc(Br)cc3)N2c2ccccc2)c(=O)n(-c2ccccc2)n1C 49878103 SCOLVYXCESBDCQ-OLFWJLLRSA-N 584.499 6.822 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OCCNC(=O)Nc3ccc(C(F)(F)F)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 98083935 VXEKTUOUXGSHDW-IEVQEGADSA-N 514.541 5.052 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1CC[C@@](CCC4(C[C@H](O)CO)CCCC4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C1 150349146 BGRCJYKTKAECBJ-HLGAVYLASA-N 917.227 8.885 50 1 KKGF biogenic,in-vitro O=C(c1ccc(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1)c1ccc(C[P+](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)cc1 195520226 UBSSTRQKIZXGOV-UHFFFAOYSA-N 840.784 10.740 50 1 KKGF CCN(CC)CCNc1nc(-c2ccc(NC(=O)N/N=C/c3ccc(O)c(F)c3)cc2)nc2ccsc12 299837331 QEMGQKDHAQBJII-MUFRIFMGSA-N 521.622 5.112 50 1 KKGF O=C(OC1CSSC1)c1ccc(OCCCCCCOC(=O)c2cc(Br)ccc2Br)cc1 299866359 ORHZAHXENVKNIR-UHFFFAOYSA-N 604.382 6.928 50 1 KKGF O=C(NC[C@H](NS(=O)(=O)c1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)OCC1c2ccccc2-c2ccccc21 586952794 NQJHBYKEHRZHRD-MHZLTWQESA-N 743.574 8.541 50 1 KKGF Cc1ccc2c3c(c4c(nc13)[C@](c1ccccc1Cl)(N(C)C(=O)CCl)CCC4)-c1ccccc1C2=O 586993384 LGFZAHYCNVXGNC-PMERELPUSA-N 515.440 6.685 50 1 KKGF O=C(CCl)N[C@@H](Cc1c[nH]c2ccccc12)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 587009849 WBTDJJDOGMKUGR-MHZLTWQESA-N 607.022 5.965 50 1 KKGF COc1cc(N)c(I)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587178824 MGJKVGHLHYHEPA-UHFFFAOYSA-N 570.119 6.845 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnc(C(F)(F)F)[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189811 FRKDRLGADITMOY-UMYXXBNDSA-N 631.740 6.355 50 1 KKGF CC(C)(C)C(=O)NCc1ccc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587373817 JIASFDKLLWEVCQ-GJZUVCINSA-N 502.007 5.748 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(Br)cc1I 587567050 BPOWZZCQMAFVSW-NQIIRXRSSA-N 616.043 6.011 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 587722439 YRTUSCOIQHCVCY-HOGDKLEQSA-N 545.140 5.964 50 1 KKGF COc1ccc(Cl)cc1C#Cc1cc(C(Br)Br)c(C(Br)Br)cc1Br 587898386 JSYZSVSQYZUOLO-UHFFFAOYSA-N 665.239 8.088 50 1 KKGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]2(CBr)c1cnc(Cl)c(Cl)c1 962950260 CRKIWMAFRAZYKJ-IBGZPJMESA-N 510.181 5.697 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@]2([C@H]3CC[C@H](C3)[C@@H]2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963039331 MZQDGEBFJRZMPT-VVKKGCMYSA-N 550.001 6.458 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1-c1nc[nH]n1 963094842 LZHXKQXEVLTSKY-PIZIKKFZSA-N 628.176 6.998 50 1 KKGF C[C@]1([C@@H](Br)Cc2cccc(Cl)c2F)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963583915 RSVHKUCQOFABLK-ABYGYWHVSA-N 648.882 7.372 50 1 KKGF Cc1ccc(CN2CCC(Nc3nc(Oc4c(C)cc(/C=C/C#N)cc4C)c4sccc4n3)CC2)cc1 1772634740 UPOLOQZPGHKPJO-SNAWJCMRSA-N 509.679 7.022 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=CCCC3CCCCC3)C2)[C@H]1CC(=O)O 2356320160 JRFGDUWPWCOPAD-YDLRLPARSA-N 676.045 9.647 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@H](CCCC(Br)Br)CCCC[C@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356323022 FVWPSKYVDXFOTC-LCRCYMICSA-N 828.680 11.360 50 1 KKGF CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(CNC)c3)C=C[C@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356360893 QUVSERCSZMCZJX-PHEDVJSXSA-N 988.282 8.286 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5CCC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@@H]2O)O3)C5)c1O 2356558543 CNBPCPLXAUGPJI-HEACTRIISA-N 795.029 8.077 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O)CC(=O)CC2 2356692892 OJAWUJDHXHVGPL-NJEZCTETSA-N 540.703 5.776 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@@H]2[C@H](CC)N(CCCOC)CC[C@H]21)C4 2356705441 NWMOTIHYTCEZSX-HKODKITBSA-N 865.033 6.040 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@@H](C)CSS[C@H]2C=CC3=C(NCC=C3C1)N2 2356869067 XHPHBKRZTOJXHO-OJZHBUINSA-N 602.822 6.735 50 1 KKGF COc1c(O)c(OC2CCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 85567711 CUJBFBCJBHBMIL-UZFWZBMSSA-N 760.971 7.347 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)C(C)(C)NCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95581396 YCIQBNHOVRZLNL-UHFFFAOYSA-N 512.591 6.353 50 1 KKGF O=C(N/N=C/c1cc(Br)c(O)c(Br)c1O)c1ccc2cc(-c3ccccc3)ccc2c1 95592214 LIFPTBIRAUNVPW-UVHMKAGCSA-N 540.211 6.207 50 1 KKGF CCNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(CC)CC1)OO2 150532508 DTSHGLFOKHBUIU-FCTQWMANSA-N 675.904 7.184 50 1 KKGF N#C/C(=C/c1ccc(-c2cccs2)s1)C(=O)NCc1cccc(CNC(=O)/C(C#N)=C\c2ccc(-c3cccs3)s2)c1 150605182 UYXZATVMXIJTHG-MPKYGIEOSA-N 622.822 7.713 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3ccc(C(=O)N(CCNc4ccnc5cc(Cl)ccc45)CC(=O)NC(C)(C)C)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 206189795 HGMQXZRCNCCIJA-ZWCVAZSXSA-N 735.322 7.082 50 1 KKGF C=C(c1ccc(Cl)cc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](OC[C@]56CC[C@@H](C)CO6)[C@@H]4CC[C@@H]3C2)OO1 253664628 GXXCHGXPDJFXGQ-WOVOPLKFSA-N 557.171 7.613 50 1 KKGF Cc1ccc([C@@H]2CC=C(CBr)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 261184738 XAQPUAJCGPRLQN-URLMMPGGSA-N 552.578 7.799 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4ccc(Cl)cc4)cc3O)sc2c1 299830793 OWXTZNAERPNOTL-UVHMKAGCSA-N 510.019 5.452 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccccc2Br)[C@@H]1c1ccc(F)cc1 587319556 CCSANSHQBFCKCU-IRLDBZIGSA-N 506.165 5.943 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335745 ORUPJPGZGMRLBQ-FJIJXJHWSA-N 503.295 5.163 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O 587492822 CGEMMZKMPLKBGD-GDLZYMKVSA-N 524.082 6.680 50 1 KKGF O=C1C[C@](c2ccccc2)([C@H](Br)[C@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 587498372 GTKJXGMWYGGUPS-IEUSDUHPSA-N 540.295 7.326 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587670458 KPJUELBWGYBWAX-BOKWIEQBSA-N 637.340 6.047 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(C(F)(F)F)c1 587712278 KJVCUXJXEHIQTM-JCQPUDPBSA-N 529.803 7.031 50 1 KKGF CC1=C([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 587713489 DCUYIRPSTDOMCL-YMJMCQLESA-N 606.979 6.854 50 1 KKGF CC1(C)[C@@H](OC(=O)CCc2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C 587948172 JTRBAOZYKSDDPH-ZZDQGICISA-N 768.930 11.130 50 1 KKGF CCCSc1nnc(COc2ccccc2C2=NO[C@@H](c3ccc(Cl)cc3Cl)C2)n1NC(=O)CCl 653698642 SVWHJMJEPBBDDC-HXUWFJFHSA-N 554.887 5.841 50 1 KKGF COc1ccc2c(c1OC)[C@@]1([C@H]3C[C@H]4[C@@H]1[C@@]1(Cl)[C@H](Cl)[C@@]5(Cl)[C@@H]3[C@@H]4[C@]1(Cl)C5(Cl)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674816 IRLXXWULYDLBHX-OTWLQKLDSA-N 716.238 7.870 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1cc(F)ccc1S(C)(=O)=O)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962684143 ZGNJPFFYKGGDCM-AREMUKBSSA-N 630.454 5.602 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccccc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963946493 GZPYHFUXDZSWQS-QWZLPZRWSA-N 658.684 5.462 50 1 KKGF C[C@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1857548020 GDRIHKFCGHRDLN-INIZCTEOSA-N 526.427 6.753 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@@H]1CSS[C@H]3CO 2356353111 IHEZPANFRBZWBC-YHRKZBSESA-N 933.202 8.112 50 1 KKGF CNCO[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@H](O)CSS2 2356360794 OERYIYLVVSNKNF-YANMANSRSA-N 583.772 5.978 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC2(CCCC2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356367396 BURDDWVCGZLHHY-ABOWOKGYSA-N 968.428 9.453 50 1 KKGF CC[C@@H]1C=C[C@]2(c3cc[nH]c3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@@H]2C1 2356487389 ZHDVLZJLBGWCMY-UDPMEZPFSA-N 529.724 6.029 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356498154 KRDDSXQIPROAQA-MLAIWOLGSA-N 909.262 7.233 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c3c2CCCO3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356500142 QKUABODNZYYNDN-KPUYCTTMSA-N 727.006 6.101 50 1 KKGF CC(=O)O[C@@H]1CC[C@@H]2[C@]3(C)CC[C@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@@]4(C)[C@@H]3C[C@H]3OO[C@@]2(O3)C1(C)C 2356546169 BVVLDPHSPCYJTD-KRYBOPSSSA-N 516.763 7.814 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@]2(O)CC=C[C@H]4CN(CCCOC)CC[C@H]42)O3)O1 2356730401 CVAJRUDEKIYLPL-DLQHVOFMSA-N 865.033 6.258 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3Cc4c(c(OC)cc5c4[C@H]1[C@H](O)[C@H]2O5)-c1ccc(O)cc13 2356774577 AUCPKZIIIKBONE-IZABCMPLSA-N 646.827 7.138 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@@H](C#C[C@@]4(CCO)CCC[C@@H](CC4)[C@@H]3O)C=C12 2356804275 ABESETDPHSYTIA-JBSGCZDNSA-N 846.169 5.697 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@@]6(O)[C@@H](C(=O)C[C@H]6OC)[C@H]4[C@@]35C)C[C@@H]1C2 2356806605 AHBXEPWPWZIBMR-CMANRCMISA-N 625.941 6.684 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)C#CCCCCCCOC(=O)CBr 13651605 BGCJWPRTWVZIPU-XWODRAHCSA-N 517.504 5.871 50 1 KKGF COc1cc2c(cc1OCCCCC(=O)N1C[C@@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O 26271981 QDRCSKSRLSLQEW-UXHICEINSA-N 562.066 5.793 50 1 KKGF CCO/C(O)=C1\C(CSc2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802432 IYBONSHJYLQPFN-FBNDGMMSSA-N 527.395 7.946 50 1 KKGF C=C(c1ccc(Oc2ccc(Oc3ccc(C(=C)[C@H]4COC5(OO4)C4CC6CC(C4)CC5C6)cc3)cc2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 49898908 PQQYBUKYBWQPKG-QIXYFGDCSA-N 730.898 10.296 50 1 KKGF O=C(c1ccc(C(F)(F)F)cc1)N(/N=N/c1ccc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([N+](=O)[O-])cc1C(F)(F)F 72176049 ZGRNOHFTQJQKQM-ULIFNZDWSA-N 595.334 7.905 50 1 KKGF CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3Cc3ccnc(c3)NCSSC[C@H](C)C/C=C/4OC5=O)[C@@H]21 85571210 WLIDZPLKYSJOBY-RDHDBSRSSA-N 576.784 7.126 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 85597341 IWJZAMRVRGKBAS-HRAIKHIJSA-N 718.938 7.680 50 1 KKGF biogenic,in-vitro O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(Br)c(O)c(Br)c1 95809024 UQKFWXSIYQHBOR-ZMOGYAJESA-N 541.240 5.052 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@@]14C(=C[C@@H]5C[C@@H]1C(C)(C)O[C@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 100774140 COQAPWLZSHQTKA-XABXYYIJSA-N 544.644 5.627 50 1 KKGF endogenous,in-man Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(ccnc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 150345678 QFUAQSSBIZDZDH-GQWBKNFGSA-N 662.790 5.109 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 150347714 QXYNSIJOQYJLMB-VJUIHWRCSA-N 873.147 8.495 50 1 KKGF biogenic,in-vitro C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O 195414621 YXGSQCZUFINYCK-ZWYLOOCHSA-N 630.898 6.118 50 1 KKGF Cc1c(C(=O)NC2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 217333764 GQJLNTYAYWLNFG-UHFFFAOYSA-N 628.900 7.109 50 1 KKGF CC[C@@H](C)C[C@@H](C)/C=C/[C@@]12C[C@H]3[C@@H](C=C(C)C)[C@@](C/C=C(C)/C(C)=C/C=O)(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 238758815 DRBMJJASDPWRHG-GAUOVLRNSA-N 610.835 8.302 50 1 KKGF O=C1C[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CN1Cc1ccc(F)cc1F 587148189 GJEVPCPOTDDIDP-SNVBAGLBSA-N 532.279 6.777 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322893 PKXBMUOHTQOLAL-YTMVLYRLSA-N 615.282 7.474 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)[C@H]1c1ccc(F)cc1 587324157 WQAHIAFEYPSKDQ-LMSSTIIKSA-N 515.378 6.752 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1ccc(Br)cc1)([C@H](Br)CC(=O)O)CC2=O 587451095 HXRAHDMJLXXNGS-NQIIRXRSSA-N 512.194 5.206 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587670697 MOVYLOBUFPQJOT-ZXOINBKBSA-N 637.340 6.047 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2Cl)(c2cc(Cl)ccc2NC(=O)CBr)N1 587674081 SLVBILONBKORQG-RZFZLAGVSA-N 601.141 7.055 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc(Br)c1 587684465 WWIMYQSRGDUXQT-ZLOXQWCVSA-N 540.702 6.775 50 1 KKGF COc1cccc(C2=C(NC(=O)CCl)Oc3ccc(Cl)cc3[C@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)c1 587685256 OYQPJDOANMLOCJ-PGGUUEOZSA-N 592.292 6.144 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)N[C@H](C)Cc2cc(Br)c(F)cc21 587698084 YDVOUBRQSRPXGS-XTDLEOOOSA-N 669.459 6.499 50 1 KKGF CCCCCCCCOc1cc(CC#Cc2cc(Cl)ccc2OC)c(OCCCCCCCC)cc1CBr 587899123 ZTSPAPUYVKOWGG-UHFFFAOYSA-N 606.085 10.316 50 1 KKGF CC1(C)CC2=C([C@H](c3ccc(Cl)cc3)C(C#N)=C(N)O2)[C@]2(C1)NC1(CC1)Cc1ccc(Br)cc12 961616088 QRWVOPOMPGFOPD-QDPGVEIFSA-N 536.901 6.558 50 1 KKGF COc1ccc2c(c1OC)[C@](CCCCl)(c1cccc(Br)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962670060 BXGJKQQGRWNYHR-MHZLTWQESA-N 596.871 7.446 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@]1(/C(=C(\C)NNC(=O)Cc3ccccc3)C(=O)c3ccccc31)N2C(=O)OC(C)(C)C 962711589 PULUZZSUONAANW-SVJZSWDDSA-N 625.697 5.054 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)c3cccc(Br)c3CCN2C)cc1 963279268 FOQBYVKFCOHKCU-IZZNHLLZSA-N 559.298 5.844 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(c1ccccc1)[C@@H](Cl)c1ccccc1 963841451 OSKPMVGDCMWIBK-PZZFJYTRSA-N 506.042 6.855 50 1 KKGF O=C(OCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(O)cc1O 1772610500 LGCCYIWOPOILHQ-UHFFFAOYSA-O 583.729 8.150 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@@]21O 2356352417 SQNKOVTXJGTJLZ-OHPIJUNESA-N 901.333 9.572 50 1 KKGF COc1c(O)c(OC2CCCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@@H]3CO)[C@H]1[C@@H](O)[C@H]2O5 2356353055 HFFJRTINSKCJKG-HLAKQQBOSA-N 774.998 7.737 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@H]1[C@@H]2C[C@H]2CSSC[C@@H](C)NCc3ccccc3Cc3cc(O)cc(c3)C[C@H]1C2 2356585311 LMUGFHQOWDKHKQ-QHVJXXAPSA-N 700.111 10.373 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356776162 QXZHAOLQVVEYKP-QGQSBGIWSA-N 847.058 5.938 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C4C[C@H](CCc5ccc(OC)cc5)[C@@H](CN[C@H]5CC[C@H](C)CCC[C@H](O)[C@@](O1)([C@H]4SSC5)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@@H]4[C@@]3(O)[C@H]1O)O2 2356777814 DRHRVTYFLUUQGF-JHMVDVSISA-N 978.236 5.803 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@@H]3CCl 82181783 DNHUTNVBMVSVOB-GOTSBHOMSA-N 705.639 7.310 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H]3/C(=C(/C)C=O)[C@@H](C=C[C@H]3CCO)C[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CCCC(C)C 85544461 IAQZLKZEXSJXOE-FEJYFLFWSA-N 623.919 6.388 50 1 KKGF biogenic,in-vitro C[C@]12CCSSC[C@]34C[C@H](CSS[C@@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@@]42CC3=O 85549186 PLDLFCJJLLMGTO-LLYARKFFSA-N 748.115 5.287 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3CCC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 85567720 SZKWIAZIGKCVOY-OAAXRDEISA-N 682.857 6.811 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@H]1O)[C@@H](O)CC(=O)CC2 85597409 JBVWVZYUXLXYMK-ODOWTIOMSA-N 540.703 5.604 50 1 KKGF biogenic,in-vitro CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)c(C(C)C)c1 253664089 KRIQBIPCLQRRNW-MEMLXQNLSA-N 547.787 5.664 50 1 KKGF C[C@@H]1[C@H](CC(=O)[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254095668 GZJIPMCINQOOAP-IPFFUYGESA-N 576.727 5.447 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191929 ZKUVZGSQGVJUSR-CUPNGGEZSA-N 667.895 7.426 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccc(Br)cc2)(C(Br)Br)[C@H]1c1ccc(F)cc1 587319675 CNFUIPXKMYWLJD-UGKGYDQZSA-N 585.061 6.664 50 1 KKGF O=C(CCl)Nc1ccccc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587325690 GSVHPRGXIJPDSB-YTMVLYRLSA-N 501.941 6.011 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587534947 GOKYVYRWTDGJQU-GTJUCTONSA-N 564.147 7.237 50 1 KKGF Cc1cc([C@]2([C@H](C)Cl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587541336 BABBTXDCDWSLEL-IRTCRQIFSA-N 508.401 6.938 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587606382 HNFKHQTYQHECQP-PVTPYKNESA-N 564.059 5.230 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587685683 AUDKJLASNPBHGY-AWKKRCEGSA-N 517.826 5.621 50 1 KKGF CCOC(=O)/C(=C(/C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587689886 XOSJWAGGYXLAGL-AVXUKDMKSA-N 539.873 5.904 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(CI)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@]23N[C@@H](C)Cc2cc(Br)c(F)cc23)C1 587737507 FPMNUFGFXVKYGK-KYSOOBOKSA-N 670.445 7.627 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C2)N1 587738370 NTPMEIAGUXBDPB-PBNKOMEISA-N 729.340 6.443 50 1 KKGF CCOC(=O)c1oc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2c1CBr 587877158 WRKGMSGSYMFJNN-UHFFFAOYSA-N 523.210 5.522 50 1 KKGF CC[C@H](Cl)CCn1cc([C@@]2(c3cccc4ccccc34)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c2ccccc21 962469769 AQLUFWUXLUFFNK-XQFFRCFSSA-N 746.307 10.149 50 1 KKGF O=C(c1ccccc1Cl)[C@H](Cl)[C@@]1(c2ccccc2Cl)NCCc2cc(-c3ccccc3)ccc21 962670072 PVGWSYSBVIQJPW-URLMMPGGSA-N 506.860 7.540 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@](CCl)(c2ccc(Cc3ncc(C(F)(F)F)cc3Cl)s2)N1 962716708 XFZNCAASWPNWBF-WIYYLYMNSA-N 587.344 6.645 50 1 KKGF COc1ccc2c(c1)[C@]1(CC(C)(C)CC3=C1[C@H](c1cccc4ccccc14)C(C#N)=C(C)N3)N[C@H]1CC[C@@H]21 962998778 VWBUSWDNGZYBBF-GTVLJTCZSA-N 501.674 7.152 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCBr)(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 963027646 SYFJMBLNOPVBRK-WNCULLNHSA-N 555.831 6.141 50 1 KKGF CC(=O)N(C)Cc1ccc([C@@]2(CCl)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963081740 MUTNMVJMUUXPPB-DQMMNQMOSA-N 795.225 8.104 50 1 KKGF CC(C)(C)[Si](OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 963082158 AKPNKTSADKRHGQ-WNOAOLCCSA-N 808.060 6.051 50 1 KKGF O=CC1=COc2c(Cl)cc(Cl)cc2[C@@]12c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963087963 NBAKDVZOJZSBJZ-UVNLRBHVSA-N 632.543 8.016 50 1 KKGF COc1cc2c(cc1OC)[C@](CCCCCCl)(c1ccccc1F)N(C(=O)c1ccccc1N)CC2 963158030 MFBUIBTZKINZHX-LJAQVGFWSA-N 511.037 6.166 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)C(C(=O)O)=NN(c1cccc(Cl)c1)C(=O)[C@H]2I 963176870 UJPFHEYTCMMHPY-GJITUFOTSA-N 812.064 6.107 50 1 KKGF CC(C)(C)[Si](C)(C)Oc1cc(C(=O)OCCOC(=O)c2cc(Br)c(O[Si](C)(C)C(C)(C)C)c(O[Si](C)(C)C(C)(C)C)c2)cc(Br)c1O[Si](C)(C)C(C)(C)C 1772638330 KDSNOHFPIAZMCU-UHFFFAOYSA-N 949.128 13.761 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4F)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccccc4F)cc23)cc1 1857747545 UODVDFHWSOHIOA-FTNJMUCTSA-N 664.716 7.944 50 1 KKGF C=C1C=CC=C([C@@H]2C[C@@H]3CCC[C@]4(O)CCC(=C(C)C=O)[C@H](CCCO)[C@@]34[C@H]2O)COCC#CCC(C)=CCC1 2356351298 UPJQANFHDWEHKL-ONDIQIPXSA-N 548.764 5.772 50 1 KKGF CC[C@@H]1C[C@H]2CC[C@H]1SSC[C@H]1C[C@@H](Cc3cc(O)cc(c3)Cc3ccccc32)C[C@H]([C@]2(C)C=CC[C@H](C)C2)C1 2356352580 WUJRZIIBPABWBF-TXMZTIJRSA-N 574.940 10.608 50 1 KKGF COc1c(O)c(OC2CCCC2)cc2c1CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@@H]3CO)[C@H]1[C@H](O)[C@H]2O5 2356367434 CUJBFBCJBHBMIL-MHINLSKVSA-N 760.971 7.347 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@@H](CC)C1)C3 2356372835 NILYHGBHFCMNEC-AFJPERRRSA-N 814.973 5.702 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356579661 HHEXAWRFKHJOOH-NKTCMXKJSA-N 773.030 8.993 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2[C@H](N)C[C@H]3C[C@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)[C@H]6C=C[C@@]8(CCC[C@@H]8C6)[C@@H]7CNC[C@H](C)O)c5)cc4CO)CC[C@@]24C=C[C@@H](C[C@@H]34)[C@H]1C 2356587642 RSFZAYVEIXNMSA-RKTVVYHOSA-N 997.426 8.619 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@H](C=C(C)C=CC1=C(C)CC[C@@H](C)C1(C)C)O[C@H]2O 2356615275 CHCVEXNSFVRPDV-ZJKLLOQBSA-N 654.973 9.496 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C3CCCCC3)[C@@]21O 2356642735 SDTYTGWVHDTFPD-CDCVQACCSA-N 857.280 9.821 50 1 KKGF C[C@]12CC[C@H](O[C@@H]3CCCCO3)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2CI 2356701129 VJCWEUYDXCVIJK-IVKVWBQSSA-N 500.505 6.992 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOCNC(=N)NC)C3)c2)N1 2356752880 AQTYFCNUFCNIEV-VDZJMGOOSA-N 798.089 5.778 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(C[C@@]53CCC[C@@H]3O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@@]43O 2356769264 ZXWWYIQDBFVEBW-GLJBBOQHSA-N 994.323 5.205 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc4c3[C@H](NC[C@H](C)O)C(=O)N[C@@H]4N)=C3CC[C@](C)(O)[C@@]2([C@H]3CCCO)[C@@H]1O)CCC=C(C)C 2356771397 WUUGEGBQXCYDHI-JSSIHCEFSA-N 824.163 5.673 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356777725 CDLJSPAPJITIQM-VTXLPIDCSA-N 813.000 5.505 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC5(CCCC5)[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@H]1CO)N43 2356829436 IYGLSPFEEPOFST-UJQKJMDJSA-N 818.155 8.324 50 1 KKGF CNC[C@@H]1C[C@H]2CC[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCC4=C(N)N[C@@H](Cn5cc6cc[nH]c6c5)C=C4[C@H]4C=C(C=C(N)N4)CC[C@@H]4O[C@]42C(=O)O[C@@H]13 2356843034 NBCAKURIMWVVET-DYADYNIPSA-N 894.133 5.672 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)C2(CCCC2)SSC1 2356848031 PBWITEXPFLETLN-VKGTZQKMSA-N 542.767 5.697 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@H](C)CSS[C@H]6C=CC7=C(NCC=C7[C@@H](CN7C(=O)C=CC7=O)C3=C4C(=O)O5)N6)[C@H]21 2356851764 QJOAMJWRJYWOPJ-SGPHRIHISA-N 711.906 5.886 50 1 KKGF Cc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2c(C)cccc12 49888999 GISNHEXTEARWCY-UHFFFAOYSA-N 572.540 8.676 50 1 KKGF O=C(N[C@@]1(C(=O)NNc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@@H](c2ccccc2)C(c2ccccc2)=NN1c1ccccc1)c1ccccc1 82181628 SDPCVQJBHCOAHU-YMOZBSFNSA-N 706.810 7.483 50 1 KKGF COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84713360 CEUKCGHHELAAER-XMMPIXPASA-N 500.002 5.660 50 1 KKGF CNCCOc1cc2c(cc1O)CSSC[C@H]1Cc3cc(O)cc(OC)c3-c3ccc4c(c31)O[C@H]2[C@H]4COC(C)=O 85568423 FAFYACFYDUJMIS-HHNDSTAQSA-N 595.739 5.687 50 1 KKGF biogenic,in-vitro Cc1nn(-c2ccccc2)c(SSc2c(C(=O)c3cccs3)c(C)nn2-c2ccccc2)c1C(=O)c1cccs1 96908509 DKHBJHDHZHASSS-UHFFFAOYSA-N 598.800 8.059 50 1 KKGF CCOC(=O)O[C@@H](OC(=O)CNC(=O)[C@@H](CSSC[C@@H](N)CCSC)Cc1ccccc1)C1CCCCC1 118659083 RFXOKQQWFSXIRB-MVERNJQCSA-N 586.842 5.046 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118932889 GFVXUJAOFLGABH-HFGMZSNHSA-N 581.464 5.388 50 1 KKGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(=O)CCCCCCC/C=C/C/C=C/C/C=C/CC)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238766296 HTDLEWJHDXOCTB-OUUAJFLJSA-N 638.842 7.381 50 1 KKGF CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@@H]([C@]4(C)C[C@@H](Cl)[C@](O)(C(C)(C)O)O4)CC[C@]23C)C1(C)C 255218817 HVGFSQLIBCTJOV-MWMSCTNJSA-N 553.224 6.849 50 1 KKGF C=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299831834 ZSZJSXOWUHBZFY-SGCPQIARSA-N 774.059 10.723 50 1 KKGF N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 299837529 RBQWHNOMXFEMIJ-PXLXIMEGSA-N 507.644 6.379 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055227 LBDAYUDMWFSEFK-RGVLZGJSSA-N 513.432 7.173 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(-c3cc(-c4ccco4)n(-c4cccc(Cl)c4)n3)nc2c1 587068534 VIQADGYTZWRQQK-UHFFFAOYSA-N 565.749 8.749 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)[C@H]2Br 587322039 LFZJVCVICJLGCO-QHYGOWJGSA-N 538.251 6.224 50 1 KKGF COc1cccc(COC2=COC(CCl)=C[C@]23Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 587326485 LOWLZMWGBQHXNY-XCZPVHLTSA-N 508.929 5.849 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(S(=O)(=O)N3CCCCCC3)cc1)CC2=O 587490270 FTSGVMOLJFQTPE-RUZDIDTESA-N 536.488 5.165 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 587673112 KLAZYLFAYMAUCC-IVCQMTBJSA-N 562.277 6.510 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2F)(c2cc(Cl)ccc2NC(=O)CCl)N1 587725840 GOMUEZUMJPAXLB-RZFZLAGVSA-N 540.235 6.384 50 1 KKGF Cc1ccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)cc1 618017044 ALSVEBGWZUATPU-LEWJYISDSA-N 570.608 5.313 50 1 KKGF COc1ccc(/C=N/NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCC(C)CC5)c(OC)cc34)c(F)c2)cc1 653813144 DAYITXLZSUJMJI-SEBMTOOBSA-N 615.706 6.840 50 1 KKGF Cc1cc([C@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(OC(F)(F)F)cc1 962406124 QZZNEHOZFKSOKJ-BLPFIKBVSA-N 702.129 8.131 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCl)(c1cc(C)n(-c3ccon3)c1C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962623424 DMRDVBDBNHWFIY-WXVAWEFUSA-N 528.005 5.014 50 1 KKGF O=C(c1ccc(Br)cc1)[C@@H](Br)[C@@]1(c2ccc(Br)cc2)NCCc2cccc(-c3ccccc3)c21 962669862 PHOGIUHRQXBMJE-WDYNHAJCSA-N 640.213 7.914 50 1 KKGF COc1cc2c(cc1OC)[C@]1(c3cc(Br)cc(F)c3C[C@@H]1Br)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962683510 YOGZRXYKLLQESN-AZGAKELHSA-N 643.269 6.886 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(C)[C@@H](Cl)c3ccc(F)cc3)c(O)c2C(=O)O1 962962875 CZLCDSKAQVHYQU-TXQHBFFBSA-N 572.416 5.633 50 1 KKGF CCCC(=O)Nc1ccc([C@@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963040929 OXQSMUOPJAEQPY-GERKYKROSA-N 645.102 7.446 50 1 KKGF Cc1cc([C@]2(CCl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1[C@@H](C)c1ccccc1 963042378 SAHDJXGOTATPOL-AYKLSHLXSA-N 681.179 8.735 50 1 KKGF Cc1cc(-n2c(C)cc([C@]3(CCl)c4ccccc4C[C@@H](C(=O)O)N3C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)no1 963099916 PUAMNGBICAQHEV-VQIIKMDRSA-N 642.199 8.176 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@@]1(C)N[C@H](C(=O)O)Cc2cc(C)c(O)cc21 963474525 VRHZVWODKYHMKR-UTVDYYBLSA-N 701.955 6.189 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857580032 HWVOXWGVYDQASL-INIZCTEOSA-N 571.480 7.165 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCc1cn(CCCCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nn1 1857749562 IWKIVWFHFCUCFE-AREMUKBSSA-N 578.760 6.241 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc2cc(ccn2)C1 2356296004 ZPSKDXFFIMYPAW-OFGIUEKWSA-N 649.879 6.422 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356351135 QVHBIUAQTMYMAU-WOZIUOFWSA-N 861.085 6.328 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356462176 ILOJWFOJTRYPKF-UYTHQGQFSA-N 837.199 8.123 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356594148 KFFUVLKOQKEGOP-GQSIVMBNSA-N 704.993 5.517 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1[C@H]2CCC[C@]3(O)CCC(=C(C)C=O)[C@@H](CCCO)[C@@]3(C2)[C@H]1O)CCC=C(C)C 2356775131 HYNPLMAIRBIORJ-FTSFTXCASA-N 512.731 5.360 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C8CCCC8)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@@H]1CO 2356833448 KGEWTVSDBMSGAA-HIXBMOBDSA-N 802.112 7.738 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC(=O)C=C1C[C@H]3Sc1ccc(NC(=O)NCCCl)cc1 3936760 LJHNAANEAMCCMK-HNYLKTKXSA-N 543.173 6.855 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@H](CCCO)[C@H](O)CC5CCCC5)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 85569318 XHCJWFBHBSXXMI-CKOYEXALSA-N 749.992 7.983 50 1 KKGF biogenic,in-vitro CC(C)(C)OC(=O)NCc1cccc(CNC(=O)C23CC4C[C@H](C2)C2(OOC5(CCCCC5)O2)[C@H](C4)C3)c1 102309675 REXWKEARLWDSKE-WIWRXTOASA-N 526.674 5.489 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CF 118922587 FEJQUBQBRRMWJR-NSXGOKPNSA-N 523.428 5.846 50 1 KKGF CC(C)=CCC/C(C=O)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C 145672359 MLUKPOIWSTVUNY-IMBXMPPJSA-N 566.870 10.922 50 1 KKGF CCC1=[N+](c2c3c(cc4c(=O)cc(C)oc24)C[C@@H](OOC[C@@](O)(Cc2ccc(O)c4ccc(O)cc24)[C@@H](O)[C@H](O)[C@H](O)CO)[C@]2(CC=C4CC[C@H]5CCCC[C@]56C(=O)NC[C@H]6[C@H]4C2)O3)C=C2N=CC=C21 150345532 YDKYBIMEPQVDJX-GWPGGOESSA-O 959.082 5.119 50 1 KKGF biogenic,in-vitro CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)C[C@H]3[C@H]3C(=O)C=C5[C@@](C)(CC[C@H]6C(C)(C)C(=O)C(C#N)=C[C@]56C)[C@]3(C)CC4)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 169340362 LGNKOKGHRNHSND-GSGIOAGUSA-N 965.329 12.495 50 1 KKGF COc1cc(Br)cc(/C=N/CCSSCC/N=C/c2cc(Br)cc(OC)c2O)c1O 169699736 HPQUXXASEDJCLW-ASIDMNOUSA-N 578.348 5.559 50 1 KKGF C=C[C@@H]1C[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 208144244 ZJJFKEAOAJIAAO-XUEBXJBISA-N 552.948 7.713 50 1 KKGF Cc1cc(C)c(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)OC(C)(C)C)c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1 586931929 GQEGQQXTTDBKHF-IBGZPJMESA-N 733.624 7.757 50 1 KKGF Cc1ccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)cc1C 587324925 AYCBDHZIGCXSDO-MFMCTBQISA-N 504.001 7.049 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 587325405 DXPAKWNERBVGIV-GMCHKSTQSA-N 592.019 6.005 50 1 KKGF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2cc(CBr)ccc21 587538081 MZOBWPFMCQMTIK-YWEHKCAJSA-N 513.343 5.737 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1Cc1ccc2c(c1)OCO2 587542771 ILIOOVDUXUCDIQ-WNJJXGMVSA-N 517.965 5.683 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)c1ccccc1C2=O 587687353 GEELYFRAHCXWLT-CIICLBFASA-N 527.821 5.525 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(Br)ccc2F)N1 587720163 RKOWOWPRQXABEZ-HUTHGQBESA-N 510.014 5.663 50 1 KKGF CO[C@@H]([C@H](O)C[C@@]1([C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]2O[C@@]3(CC[C@@H]2C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O3)N[C@H](C)Cc2cc(Br)c(F)cc21)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587834348 QXHHFLAJZWVVIN-GVYYRFHYSA-N 981.047 7.548 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(Cl)cc4Cl)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 653813172 MTEMRGGIFMNNQN-CHSHITCJSA-N 654.570 8.138 50 1 KKGF CN(C(=O)NC(=O)c1ccc(Cl)c(Cl)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1 653875515 FQTZREBOJXYFPT-OXUBWTJQSA-N 589.339 5.127 50 1 KKGF COc1ccc2c(c1OC)[C@H](c1c(C)nn(CCCCl)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680224 SQAJZPBBCRODCR-DEOSSOPVSA-N 535.994 5.953 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CCCl)(c2ccc(F)cc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963091251 UPNPAMJCCNDHCF-PUDHBBIYSA-N 576.111 8.002 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 963169121 HAROLYIYFNKIFM-LIRRHRJNSA-N 539.263 5.040 50 1 KKGF CC(=O)SCC[C@]1(CCl)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963222656 ZRTCDQRVGIKZQK-NGQVCNFZSA-N 656.069 5.573 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCCCl)(c2ccc(C(C)(C)C(=O)OC)cc2)N1C(C)=O 963328162 CVCZNZKPOBFCAX-JKNORYIRSA-N 836.360 6.203 50 1 KKGF Cc1cc2c(cc1O)[C@]1(N[C@H](C(=O)O)C2)C(C#N)=C[C@]2(C)C3=CC(=O)[C@@H]4[C@@H]5CC(C)(C)CC[C@]5(NC(=O)C(C)(F)F)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C 963492365 QFVSANRTECRLDX-LDPHIWKRSA-N 731.925 7.669 50 1 KKGF CCCCCCCCCCOC[C@@H]1CN(C(=S)SSC(=S)N2CCCO[C@H](COCCCCCCCCCC)C2)CCCO1 1772582260 YPSCMNQUKHHZAR-ACHIHNKUSA-N 693.164 9.434 50 1 KKGF C[C@H]1CCCCN1C(=O)c1ccc(-n2cc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)cc1 1857610731 LDMNRFAJSYRLRK-KTXMEWGISA-N 566.699 5.007 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1C(C#N)=C(N)N(Nc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1911578661 XXYLXCKWVQDMJT-PMERELPUSA-N 642.657 7.894 50 1 KKGF C=C(C=CC=C(CCC=C(C)C)COC(C)=O)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(C)O 2356517451 KPFIRSWIEJGVNZ-YTSIGKGGSA-N 528.730 5.541 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(O)c3c2CSSC[C@@](C)(O)CNCO3)c2cc(O)cc(C3(NC)CCCCC3)c2)ccc(O)c1OC 2356521602 FCVYNIPQSGAOFH-ZVEXLLTKSA-N 988.326 10.145 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356584852 UXVJLMNTFSDVTF-SKXLYDMPSA-N 756.182 8.174 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356649222 DXSGXKIDQAYVIP-NAHSKFSISA-N 972.416 8.281 50 1 KKGF CCCCCCC[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCCCOS(=O)(=O)O 2356752908 CNIPAIGHIJWOMR-KJJMTIBFSA-N 606.071 7.078 50 1 KKGF C[C@H](O)NC(=N)NC[C@H]1[C@@H]2CC[C@@H]3[C@H]4[C@@H]5C[C@H](CSSC[C@H](n6ccnc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c1ccccc1)NC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 150593283 XANHWYALVBJRAH-OULQKLPGSA-N 652.876 7.106 50 1 KKGF CC(=O)OCc1cc(CCC(=O)NCCNc2c3ccccc3nc3ccccc23)cc(COC(C)=O)c1O[Si](C)(C)C(C)(C)C 195517302 RCXIMFDNOLTJQC-UHFFFAOYSA-N 643.857 7.059 50 1 KKGF CC(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC/C(=N\NC(=O)c6ccccc6)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 253853741 PXXGDOQUYVWXOA-LVIYMAOHSA-N 574.850 8.595 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@@H](C)c3ccc(CBr)cc3)[nH]c21 586974277 USFHLUBNHOEWSM-QHCPKHFHSA-N 679.659 8.870 50 1 KKGF CC[C@H](Br)[C@@]1(c2ccc(NC(C)=O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320848 HHWQHBZJEKDOCK-BFLUCZKCSA-N 512.375 5.918 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)[C@H]1c1ccc(F)cc1 587320985 HUEGVSIHZNZZCH-CDZUIXILSA-N 551.411 8.078 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587325304 DKMHOOYYOAUSMS-MXBOTTGLSA-N 587.007 5.476 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)N1 587712749 QLZXGUOLIRQJTJ-VVVCHXIZSA-N 560.021 6.542 50 1 KKGF CN(C(=O)NC(=O)c1ccc(Cl)cc1Cl)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccc(C(F)(F)F)cc2)s1 653913885 OQJUALCHUGFOJK-LODFRUGASA-N 612.339 6.238 50 1 KKGF Cc1ccc(P(c2ccc(C)cc2)c2ccccc2[C@H]2c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962715344 RMVFSETVDYWTHM-FWLBGYLASA-N 779.868 8.268 50 1 KKGF Cc1cccc([C@@H]2C(C#N)=C(N)OC3=C2[C@]2(CCC3)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c1 962949992 DGGJUNGQHLIOGK-FUFSCUOVSA-N 521.583 5.806 50 1 KKGF COOCNc1ccc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772571572 WIDUWVDHOUPQPC-HSZRJFAPSA-N 543.464 5.610 50 1 KKGF Cc1ccc(C)c(-n2nncc2CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)c1 1772602671 RTFMOAVSPPHHMM-KXQOOQHDSA-N 626.680 6.053 50 1 KKGF COc1cc(C2=C(C#N)C(=O)N[C@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)ccc1C 1772608401 QHSATOFQTDIKPG-HSZRJFAPSA-N 512.450 5.980 50 1 KKGF COc1ccc(C(=O)/C=C/c2ccc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)c(OC)c1 1772613014 RLLAGKNIDHCHMI-OUQCIBMOSA-N 594.701 6.203 50 1 KKGF CCC[Si](CCC)(CCC)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857551432 NBXYYYWWWZVTED-GQIPXBGMSA-N 626.951 7.553 50 1 KKGF C[C@H](CCc1ccccc1)C[C@H]1CC[C@@]23CC[C@@]1(C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 2356292149 MGODVHWOIFEIAW-QSWHODFASA-N 934.281 11.455 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)cc(O[C@@H]4CC[C@@H](O)C5(CCCCC5)SSCCC[C@H]4O)c3c(=O)c2O)cc(Cc2cccc(O)c2)c1O 2356308191 XXGRTYDCFJVJGI-MUZHKWOHSA-N 736.949 8.199 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC[C@H]6C#C[C@@]7(C[C@H](C)C[C@@H](CSSC6)[C@@H]7CCCO)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356353341 MMWJCJJXPCPHGR-NDOSZMPASA-N 992.398 7.375 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@]2(O)CCC1=CC(=O)OC1)[C@@](C)([C@@H]1CCC2(CCCC2)C1)CC[C@H]3O 2356363127 HSDBMVYWKNHXKE-XHVCNJDFSA-N 887.302 10.432 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC1=O)C[C@H](NC(=N)N)CSSCCCCCC[C@@H](O)C[C@H](OC(C)=O)CC2 2356372656 JSLKSBPTICQBCD-UXZFTYNHSA-N 700.968 5.565 50 1 KKGF CC(C)=CCCC(C)=CC[C@@]12C[C@H]3C[C@@H]4C(C)(C)OO[C@H](C(C)(C)O)C[C@@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356439071 DCSFMYBSUBGTPD-NTHAYSAXSA-N 618.811 6.968 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CC=C[C@@H]2CN(CCCOC)CC[C@H]21)C3 2356729125 IIBKQYYSPWRWKF-LQXIWPBKSA-N 810.941 5.089 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@@H](O)[C@H]1O 2356732742 SLBUHAQMZGDGBR-APSKYPBPSA-N 904.245 6.773 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](c2c[nH]c6cn(cc26)[C@@H](O4)[C@@H](C#C[C@@H]7O)C2(C#CO3)CCCC2)[C@]2(CCC3(CCCC3)C2)C5)[C@H](O)C1 2356774138 RGIVUCGBLKFZNZ-LPEJQYQCSA-N 995.321 9.618 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1c1cc[nH]c1 2356826315 HIQWUUFFWHOYPL-QJMWEWFYSA-N 843.977 5.340 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356840105 DVNAEYOYZZALSX-VZYPOGDGSA-N 742.984 7.268 50 1 KKGF C/C(=C/SS/C=C(/C)n1c(C(=O)c2ccc(Cl)cc2)noc1=O)n1c(C(=O)c2ccc(Cl)cc2)noc1=O 42890817 HJASHKYMZFPZAU-XSYHWHKQSA-N 591.454 5.473 50 1 KKGF CCSSCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O 64634144 QUOHQYNLQBQKMQ-IJEKCQKQSA-N 572.830 5.889 50 1 KKGF in-vitro O=C(c1ccccc1)c1ccc2[nH]c(-c3c(Cl)c(Cl)c(Cl)c(Cl)c3C(=O)N/N=C/c3ccc(Cl)cc3)nc2c1 82170505 UUCNFXPTEGQNOG-RPUDKEGQSA-N 616.719 8.492 50 1 KKGF CCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@]2(C=O)OCSSC[C@@H]1C1=C[CH+]N=C1 150344248 XWNPXXAEJWUTPZ-ZACZZRFKSA-O 856.008 6.049 50 1 KKGF biogenic,in-vitro N[C@@H]1CCCCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(F)(F)(F)(F)F)cc4[nH]2)cn3C2CC2)C1 587172018 CJYGGGDDWXVWOI-CQSZACIVSA-N 557.564 6.994 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587322238 LTLQPALXZKTNKV-FREGXXQWSA-N 537.469 7.530 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)[C@H]1c1ccc(F)cc1 587323406 REBMRFNRCNDOAX-LMSSTIIKSA-N 578.390 6.668 50 1 KKGF Nc1c(Br)cc([C@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1Br 587540074 ZXFKMXFEWDIWAM-UTKZUKDTSA-N 584.058 5.751 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587671011 NOYIKPCIVUWBAA-ZTHZXAOBSA-N 512.261 5.744 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(Br)Br)(C(F)(F)C(F)(F)F)N1 587708354 BHRNKXPYBDPWOP-ULHQUTTKSA-N 533.930 5.631 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(CBr)c(CBr)c1 587875521 WQHACMDLGMNOLG-UHFFFAOYSA-N 504.049 5.494 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@]2(NC3(CC3)Cc3ccc(Br)cc32)[C@H](Br)C1 961615534 PDBAZDJHAWPGFF-QLVMHMETSA-N 500.275 5.163 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@](c3ccccc3)(c3cccc(CBr)c3)N12 962666005 LYPTVCHMUIIREP-VSGBNLITSA-N 501.424 5.520 50 1 KKGF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCl)(c2ccc(Cc3ncc(C(F)(F)F)cc3Cl)s2)N1 962716705 XFZNCAASWPNWBF-RXVVDRJESA-N 587.344 6.645 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2C(=O)[C@]2(O[Si](C)(C)C(C)(C)C)[C@H]1CC=C[C@]21c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963006914 BSZDFXFLDLOBJS-XBIRQIFHSA-N 807.420 8.571 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@]1(CCl)c2cccc(Br)c2CCN1C 963281656 UKHRMWJURJQNAO-QOLRZVHYSA-N 717.528 7.446 50 1 KKGF O=C1/C(=C/c2ccc(S(F)(F)(F)(F)F)cc2)CSC/C1=C\c1ccc(S(F)(F)(F)(F)F)cc1 1772594326 VPIODVANGKMJSC-KAVGSWPWSA-N 544.501 9.784 50 1 KKGF O=C(c1ccncc1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br 1772605652 UVIIXQOYAUOPPF-GHVJWSGMSA-N 550.123 5.769 50 1 KKGF Cc1ccc(/C=C/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)[C@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)o1 1772618200 OGKZIEPEKQVMTF-YVNLSVQNSA-N 599.475 5.980 50 1 KKGF C[C@H]1CCCCN1C(=O)c1cccc(-n2cc(CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)nn2)c1 1857534750 SAUVANCTQNOTNQ-KTXMEWGISA-N 566.699 5.007 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccccc2Cl)nn1 1857645111 RQGLQSCCWSIJAG-WGTLQYNUSA-N 524.105 6.727 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356372333 CBUCPQSZOMIHSV-VPSSGIPFSA-N 749.046 5.268 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@H]2O)c1O 2356372736 LJLQIFPLZYHBDV-RAINPOIZSA-N 766.975 7.536 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c1 2356687545 SNZCABRUTZVTFC-AZZZNBFASA-N 689.846 9.742 50 1 KKGF O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23CCNC2=C3c3nccc4c[nH]c(c34)C2=O)[C@@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br 2356741962 HDDXRVGNFMMKJS-MPQUPPDSSA-N 826.552 6.249 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OC)C(=C2C[C@@H](CO)C(=O)[C@@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356775542 MZGSZNLRXZXROF-CDDWPIKZSA-N 701.813 5.611 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H](C2(n3ccnc3)CCCCC2)SSC1 2356818355 DTANCNDDJGWORP-RUOFSAEFSA-N 636.884 6.309 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](OCCO)CCCC1 2356826383 HJIZKZIUKPSVER-WDKXFYDGSA-N 848.185 6.351 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)C2(CCCCC2)SSC1 2356835464 KSBQODKANFJYEP-OLILMLBXSA-N 556.794 6.087 50 1 KKGF O=C[C@]12OCSSC[C@H](c3cc[nH]c3)[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)c(-c4ccc(O)cc4)coc3c1)O[C@@H](C(=O)O)[C@@H]2O 2356839272 LSERQKDEQQMFCX-QXKFCLLVSA-N 917.071 7.001 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]45C[C@H](c6ccccc6)C[C@@H](C=C[C@@H]4[C@H](O)CC[C@H]3O)[C@H]5CO)C=C12 2356859752 TYFCYJYFUZYPSA-ACTXRSBRSA-N 990.342 6.864 50 1 KKGF C[C@@]1(O)[C@@H]2[C@H]3CSSCc4ccccc4[C@@H](CCc4ccccc4)CC[C@@H](C3)CN2C[C@H]2[C@H]3C[C@@H]4[C@H](C[C@H](O)[C@@H]5C[C@H](O)CC[C@]54C)[C@@H]3CC[C@H]21 2356864572 VWRKIZHQIIQNMJ-FGSFRXCDSA-N 730.137 8.976 50 1 KKGF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 28460863 XUGFHRZCOFYYNR-HJWRWDBZSA-N 602.555 7.104 50 1 KKGF COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2c(OC)c(OC)c(OC)cc2[nH]1 29237807 OUTRCJGIYVZVEX-SNVBAGLBSA-N 581.931 5.169 50 1 KKGF O=C(CCNCCSSCCNCCC(=O)c1ccc(I)s1)c1ccc(I)s1 72114041 OWIFZSZFRQAORW-UHFFFAOYSA-N 680.462 5.425 50 1 KKGF CCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C/C(=N/NC(=O)c5cccc6c(=O)c7ccccc7[nH]c56)C=C(C)[C@]4(C)[C@H]3CC[C@]12C 82175392 IXKSTPXHJUWVSN-GRBKJBRBSA-N 649.876 8.858 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)C[C@@H]2C=C[C@]1(C3)OC(=O)[C@]1(C)O[C@@H]1CCc1cc(N)nc(c1)-c1ccnc(N)c1CSS2 85593948 JTCKOCDJPKWDEH-PVTMVKGISA-N 686.812 5.418 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@](Cc4ccccc4)(CC/N=C(\N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 85627252 JQJOKSCWQMFEBA-WRRQFQDQSA-N 835.190 8.591 50 1 KKGF biogenic,in-vitro COc1ccc(C(=O)c2cc(C)ccc2OCc2nnc(N3C(=O)[C@H](Cl)[C@H]3c3cccc(Br)c3)o2)cc1 103185676 NYWDKZXYLQRHES-DNQXCXABSA-N 582.838 5.654 50 1 KKGF O=C[C@@]12OCSSC[C@H](C3=C[CH+]N=C3)[C@@H]([C@H]3CC#CCC[C@@H]4C=C/C(=C/C3)c3ccccc34)CNC[C@]1(O)[C@H](Oc1ccc3c(=O)[c-](-c4ccc(O)cc4)c[o+]c3c1)O[C@H](C(=O)O)[C@H]2O 150343968 IELIYCFQXMUMSH-WZZDYLMCSA-O 916.063 6.678 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@H]2CCC[C@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)C/N=C(\N)N[C@]2(CCCC23CCCC3)SSC2CCC(CC2)CC[C@H](O)C1 150348622 XFTCXYAYOKSOOZ-YKZDHTBQSA-N 941.358 10.493 50 1 KKGF biogenic,in-vitro CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(NC(=O)c3cccc(CCl)c3)c(c2O)/C=C(\C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 169718269 PRQNPPXXLFHHKT-XBXVKICCSA-N 698.213 5.774 50 1 KKGF C=CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1 195815958 BDKQSXIIYZQXSP-LJVKMUTESA-N 604.860 7.692 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 299881219 NPKIGTFHXVQKJH-JYADLGDQSA-N 703.021 8.567 50 1 KKGF COc1ccc(S(=O)(=O)Nc2cccc3cc(-c4nc5cc(S(F)(F)(F)(F)F)ccc5[nH]4)[nH]c23)cc1 586952855 ITBIMVVVXVVIJP-UHFFFAOYSA-N 544.527 7.178 50 1 KKGF FC(F)(F)c1cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(Br)cn1 587116427 WHTJGBFOEOAFTN-UHFFFAOYSA-N 547.063 7.826 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1 587321402 JVHLJBOKOOWGDE-IRLDBZIGSA-N 506.165 5.943 50 1 KKGF Cc1cc(-n2c(C)cc([C@]3(CCl)CC(=O)c4ccc5c(c4O3)CCCC5)c2C)ccc1Br 587504183 PYQFUUZDSQPDOY-HHHXNRCGSA-N 512.875 7.143 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538747 RNRQIVKFCIFZFF-LBNVMWSVSA-N 599.264 6.938 50 1 KKGF Cn1cc([C@]2(c3ccccc3F)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587548679 OXZJCNWSLBTCBN-LJMWEAFDSA-N 610.563 7.858 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(OC(F)F)c(Cl)c1 587552714 BQJNSSVDVVICRJ-RBJSKKJNSA-N 560.380 7.150 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccccc1[C@@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587687140 FYFRDRGMNUGVHG-ITNZAGEZSA-N 501.827 5.980 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 587689459 SPPPLLVTRPKVRA-FUEHQLCJSA-N 532.797 5.520 50 1 KKGF Cc1noc(C)c1-c1ccc([C@@H]2CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C[C@H]2C(=O)NCCSSCCN(C)C)cc1 621485906 SSRGUOUYZUOOJH-XZOQPEGZSA-N 637.655 5.886 50 1 KKGF O=[N+]([O-])c1cc(Br)c([C@]2(CBr)c3ccsc3CCN2Cc2ccco2)cc1F 962705187 KKVBWTTVUMMWKD-IBGZPJMESA-N 530.213 5.848 50 1 KKGF CC(=O)N[C@H](C)c1ccc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963006756 BSAOMCLGUPHPTL-KNJFRBFSSA-N 564.469 5.653 50 1 KKGF C=C(C)[C@]1([C@@H](C)O[Si](C)(C)C(C)(C)C)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963016728 LNPBEMNEYNIOCB-PFTPNIEWSA-N 553.175 7.155 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963181990 CAXLEFFQRFEOBM-WENCNXQZSA-N 648.378 6.874 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@H]3CC[C@]12C 1772610541 LZKNRZQCNSOJAN-GTQRKIQBSA-N 602.732 5.881 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNc7cc(ccn7)C7(CCCC7)C4=C5C(=O)O6)[C@H]32)CCCC1 2356295489 VYMGPVWESCECHW-YOALKBIPSA-N 758.063 8.862 50 1 KKGF CCC[C@@H]1[C@H]2C=C[C@@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356317737 OQKBXJAYKUBWLJ-JVJXTYKASA-N 870.150 8.733 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)[C@@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@H]1CC(=O)O 2356321631 GQZGNRFZYWIVHF-IPFBEBKMSA-N 700.020 6.537 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356353030 GRBFQPDVOIVRLW-FLBLYYBNSA-N 901.150 7.109 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](O)[C@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H]1O 2356409604 NCSNQRGCQJNJTK-SFGKGQALSA-N 722.618 10.798 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)CCC=C(C)CN[C@H](CCOC)C1CCCCC1 2356414922 VOCKJMRFHJPWSH-BXKHDUSTSA-N 699.030 6.115 50 1 KKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)CC(=O)O[C@@H]1OC(=O)C(=CC[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@@]23C)[C@@H]1O 2356415402 KEUKAWSDTYOQMM-POSMCEEHSA-N 634.898 8.593 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(OC(C)=O)[C@@H]1CC[C@@H]2O[C@H]([C@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@]2(C)O1)[C@@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 2356551018 XAJJUEHMJGKPKD-PPFHQPNYSA-N 731.762 6.896 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4[C@H](CNC(=N)N)[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@]34C)[C@H]2CCCCC2=C51 2356652832 RTNGFZYHHABRLC-XJWRRDNDSA-N 886.282 7.215 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4C[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@@]34C)[C@H]2CCCCC2=C51 2356689159 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Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@@H]5CSSCO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 85511400 PCGLNVYRXAGQKG-WIIXQQIUSA-N 742.909 5.362 50 1 KKGF biogenic,in-vitro CC(=O)OC[C@H]1O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@H]2[C@H]2C(=O)C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]2(C)CC3)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 95535866 JGBUMXBVCHFDTQ-XRNVJXSYSA-N 821.961 5.832 50 1 KKGF COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N1CCN(Cc2cccc(C)n2)C1=O)C(C)(C)C)C(C)(C)C 95615900 QVUBAVJBHIZTGJ-JPYDVTDNSA-N 821.036 5.497 50 1 KKGF N#CC1=C(NC(=O)/C=C/c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl 102824304 WLCFOLHABNJXCY-ATKXTZNESA-N 619.530 5.816 50 1 KKGF CC(C)(O)[C@@H](O)CC[C@@](C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 141426220 LDQVWFLDLPYOLQ-IAPQZPNPSA-N 605.651 5.184 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CN(CC3CCCCC3)CC3CCCCC3)[C@@H](O)[C@@H]2O)O[C@H](CN(CC2CCCCC2)CC2CCCCC2)[C@H]1O[Si](C)(C)C(C)(C)C 195122192 AFBZXHMFLZIEKJ-AKZQRNOMSA-N 907.524 10.923 50 1 KKGF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@H](C)O)cc1 586938224 OXWNDAHSMLSDQR-PSLIRLAXSA-N 566.368 5.392 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587360023 KTISXTPLYHKCKZ-AZGAKELHSA-N 562.457 5.211 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc(Br)cc1)C(Br)Br 587539292 VGEWALAGEBCUIY-LAUBAEHRSA-N 569.043 6.128 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1C[C@H]1COc2ccccc2O1 587544922 PPQGKPTXOHUNBI-NIQOGTEGSA-N 531.992 5.746 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)CCC2 587687462 GVEGHDDBYHWZQM-HAWMADMCSA-N 501.871 6.501 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cccc(NC(=O)[C@@H](C)Cl)c12 587687957 JCRIRDOGLYTJSH-YFONVMMFSA-N 527.821 5.525 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1NC(=O)c1nnc(O)c2ccccc12 587689506 TWWMXLOHRKUBFC-NRRJATNASA-N 572.866 5.056 50 1 KKGF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]2(CBr)c1ccc(N2CCCCC2)cc1 962960211 RZWKLGKJDFQBIV-RUZDIDTESA-N 523.437 5.986 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CCCCCl)(c2ccccc2C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963071266 IMYXMMVWTUQRQP-QHIUNZLJSA-N 820.197 10.315 50 1 KKGF COc1ccccc1C(=O)[C@H](Br)[C@]1(c2ccccc2OC)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963168103 FXAGOSUFQLAJPZ-OCDQVXHZSA-N 612.826 5.865 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](C(Br)Br)(C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963369904 ZJFJXXZHTJRCTA-WNCULLNHSA-N 669.288 6.615 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(COC(=O)c2ccccc2S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963928040 HZBUUKAHPRDBRE-PMULVDHESA-N 900.502 5.032 50 1 KKGF CCC[C@@H]1C[C@@H](Cc2cn([C@@H](Cc3ccccc3)c3nc(C(=O)OC)co3)nn2)C[C@@H](O[Si](C)(C)C(C)(C)C)C1 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695.126 13.286 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CC=C[C@@H]2[C@H](CC)N(CCCOC)CC[C@@H]21)C4 2356705443 NWMOTIHYTCEZSX-XNDDUHKLSA-N 865.033 6.040 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356769136 ZSTBKPQJMYKIGL-UEWQDHDSSA-N 781.054 5.082 50 1 KKGF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c2c1CSSC[C@@H]1CN[C@@H](N)c3ccc4c(c31)Cc1c[nH]c3cn(cc13)[C@@H](CC#C[C@H]4O)O2 2356778053 KYNPMNGSCJRWTE-DHKPYPEDSA-N 714.954 6.656 50 1 KKGF C=C(COC(=O)[C@](C)(O)C[C@@H]1CC[C@H](O)[C@]2(C=C(C)C[C@H]([C@H](C)C=C[C@@H]3CC[C@]4(CC[C@@H]5O[C@H]([C@H](O)C[C@H](C)[C@@H]6O[C@]7(CCCCO7)CC[C@@H]6C)C(=C)[C@H](O)[C@H]5O4)O3)O2)O1)[C@H](CCO)OO 2356807514 XVGATEYYRCIQPO-ZWVQDEQGSA-N 935.158 5.469 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)[C@](O)(C(=O)OC)C(=O)C4=C3C)C(CC)=C1C=O 2356824223 GTPCODLPCNLXEB-OBJJPXMSSA-N 899.186 10.897 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@H](C2(n3ccnc3)CCCCC2)SSC1 2356847033 OSYAIWFMEAOHLJ-CNTLHHALSA-N 662.922 7.014 50 1 KKGF CC[C@@H]1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@H]([C@@H]3CNC(=O)C34CCCCC4)C1)O2 2356857932 SNZXPJGHMNLYRU-NNWZOQOSSA-N 936.068 5.043 50 1 KKGF COc1cc([C@@H]2C(C#N)=C(NC(=O)Nc3ccccc3)Oc3cc(N(C)C)ccc32)cc(Br)c1OC 43617502 IWCNNXGXNAARFL-DEOSSOPVSA-N 549.425 5.613 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3ccc(Br)cc3)cc1)C2 64559031 LHVGTFCUDSXMMD-KVAAJVFYSA-N 621.963 6.559 50 1 KKGF C[C@@H](CNc1ccnc2cc(Cl)ccc12)NCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 66098399 KSNGNQRNTQTVOB-LRDZHSNCSA-N 546.108 5.503 50 1 KKGF CNC[C@H]1C[C@]2(C[C@@H]3[C@H]4Cc5cc(O)cc(c5)Cc5ccccc5CN[C@@H](C)CSSC[C@@H](C4)C[C@H]3[C@]3(C=CC[C@H](C)C3)C2)C[C@@]12CCC1(CCCC1)C2 85543421 JAQAIDACYUMOBX-LLGGCKFLSA-N 767.246 11.770 50 1 KKGF biogenic,in-vitro C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 95610359 UFJUEKAJZPTZED-ZBTJTSMBSA-N 780.863 5.176 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(Cl)cc4)cc3F)ccnc2cc1OCCCN1CCOCC1 96910891 JOPOSMFVSHEIAU-JEPNHJGPSA-N 608.070 6.085 50 1 KKGF O=C(CCCc1ccc(N(CCCl)CCCl)cc1)NCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 103239185 RZQKEVMLPYRUTJ-UHFFFAOYSA-O 606.598 6.794 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(OCO)c(OC)c2)(c2cc(O)cc(CNC)c2)[C@@H](O)C[C@H]1CSS[C@H]3CO 150349705 DYVFJLYMDNVXBX-KEMJIENXSA-N 962.220 7.521 50 1 KKGF biogenic,in-vitro CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](Cl)[C@@H](C)/C=C\C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169358477 YNMLUPLDAJOVTM-UZXOGTPTSA-N 605.212 5.778 50 1 KKGF CN(Cc1ccccc1B(O)O)Cc1c2ccccc2c(CN(C)C(=O)CCCCC(=O)N(C)Cc2c3ccccc3c(CN(C)Cc3ccccc3B(O)O)c3ccccc23)c2ccccc12 195295055 HHBDCNXLSWSVIG-UHFFFAOYSA-N 906.742 7.100 50 1 KKGF CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1C[C@@]2(S(=O)(=O)c3ccccc3)ON1C[C@H]2S(=O)(=O)c1ccccc1 195765524 SWWCJTUVSXJESY-XQKNLLDYSA-N 613.874 5.956 50 1 KKGF COc1cccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2cccc(OC)c2)c1 473160488 YCGXOMZMTMQQHW-UHFFFAOYSA-N 578.810 8.121 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)[C@@H]1c1ccc(F)cc1 587327764 HIINPKNVNMUCHH-BVAGGSTKSA-N 533.905 5.472 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(OC(F)F)cc2OC(F)F)N1 587722438 YRTUSCOIQHCVCY-AYLIAGHASA-N 545.140 5.964 50 1 KKGF COc1ccc(Cl)cc1C#CCc1ccc2ccccc2c1-c1c(CBr)ccc2ccccc12 587899047 XVJCHMLTPOVQAO-UHFFFAOYSA-N 525.873 8.811 50 1 KKGF CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCl 653900919 DRRWQPLKIRGODN-XAPODPEKSA-N 878.758 10.312 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962571711 OBQPQGXDRNKILS-XLWWBGEVSA-N 678.572 7.465 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CBr)(c2c(F)cccc2C(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962578294 XZALPISPQPQAIP-MXBOTTGLSA-N 655.442 7.138 50 1 KKGF CC(C)[C@@H](Br)C(=O)Nc1cccc([C@@]2(C)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962921396 HKCLJLWFSIQJOZ-BXTSTYNKSA-N 553.453 5.405 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(Cl)cc2)C2=C(N1)c1ccccc1[C@@]21NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962955756 LVIANGUCWCWFST-IUDBTDONSA-N 574.046 7.163 50 1 KKGF CCN(c1ccc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1)S(C)(=O)=O 963016810 MQVTUCQRXZAQNE-ABYGYWHVSA-N 600.524 5.241 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CBr)c1cccc(OCC(F)(F)F)c1 963060339 DMCCWVZRWHVLJU-BCQCSXDESA-N 627.454 5.745 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl)c1[nH]c2ccccc2c1C[C@@H]([C@@H](O)CC(=O)O)N5C(=O)OC(C)(C)C 963071987 YPERBYKKHBOMDD-BZZDKZDRSA-N 851.821 7.674 50 1 KKGF CC1(C)CC(=O)[C@H](Br)[C@@]2(C1)c1ccccc1C[C@@H](C(=O)O)N2C(c1ccccc1)(c1ccccc1)c1ccccc1 963084768 GZEQFWPXILUMDZ-YIYHDALESA-N 608.576 7.338 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@]1(CCl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192302 YXIPBAGBROFVHU-WNLGIOGTSA-N 771.056 7.467 50 1 KKGF Cc1cccc2c1[C@](CBr)(c1ccc3c(c1)cc(O)n3C)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905120 WEQAHBOQJSMJKB-HRFSGMKKSA-N 543.458 5.467 50 1 KKGF C[C@](O)(CSc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857607571 LLTSMUPBGWFURO-INIZCTEOSA-N 549.427 7.863 50 1 KKGF C[C@@](O)(COc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857615118 YTCMHJHJKLUVTD-MRXNPFEDSA-N 523.414 7.770 50 1 KKGF COC(C)(C)CCC[C@@](C)(OC(=O)CCl)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 1857772344 ILZSWCDOSCSZFY-DDSRACOCSA-N 569.267 7.139 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CC[C@H](CCc4ccccc4)C[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356291855 DPWHXRIQAKJSJD-ZCFWZVTJSA-N 984.294 8.759 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@@]3(C)O[C@H]([C@@]4(C)CC[C@@H]([C@@](C)(O)C[C@H](Cl)[C@@H]5OC5(C)C)O4)CC[C@@H]3O2)CC[C@@H]1Br 2356328887 LAGSZTCWDHVZKN-JWYSLADPSA-N 622.081 6.447 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2C[C@H](O)CC[C@@H]2CNC)Cc2cccc(c2)C1 2356357492 RVCLSSVXSFYGSY-UQLDGPDNSA-N 958.335 5.326 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356365436 MGSQSAGZFAPXKF-CWZGCHNOSA-N 952.286 5.843 50 1 KKGF CC[C@H](OCOC)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)[C@H](C)[C@H](O)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)C(=O)OC 2356698077 FKZBLCZOLUNILC-MFAMSCQYSA-N 705.015 6.244 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](CC[C@H]3[C@@H]1O[C@@H](c1cc(O)c(O)c(OCCc4cccnc4)c1)C[C@H]3OC(C)=O)SSC2 2356745832 ZZIQLVGNNFRAHC-MWXMUUBDSA-N 778.994 6.418 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)CN[C@@H](C)CCOC 2356775285 KMSAOIKHLIDXRK-RYRQSNSMSA-N 658.965 5.599 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H](N)C(=C2)[C@H](C2(n3ccnc3)CCCCC2)SSC1 2356818354 DTANCNDDJGWORP-KUBBYMMRSA-N 636.884 6.309 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@H]2[C@H](OCCO)CCCC1 2356873715 YIACRWMLMIQPLV-HYGXMIJSSA-N 794.093 5.399 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356875046 ZYRGFCMDZBURBQ-ICJVOCFOSA-N 838.233 11.496 50 1 KKGF O=C1[C@@H](Cl)[C@@]2(CC(/C=C/c3ccccc3Cl)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009715 YHXJVMSHLXOLLX-WGGKQFCHSA-N 585.494 5.826 50 1 KKGF O=C(SC[C@@H](CN1CCCC1)SS[C@@H](CSC(=O)N1CCCC1)CN1CCCC1)N1CCCC1 28872844 XFBDLGMKUXQTPP-FGZHOGPDSA-N 546.894 5.195 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Br)cc1 49708382 XKJRJURWKRJAMT-NSOVKSMOSA-N 560.831 6.983 50 1 KKGF CC(=O)Nc1sc2c(c1Cc1nnc(SCC(=O)N/N=C/c3ccccc3)n1NC(=O)c1ccc(Cl)cc1)CCCC2 72173605 RRLCIPKWWCUBQQ-WCMJOSRZSA-N 622.176 5.047 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCCCCCCCCCCCOC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84758151 JBYNVGWSMMETCF-YERSCMBDSA-N 568.748 6.520 50 1 KKGF O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OC[C@@H]1C[C@H](Cl)C[C@H](c2cccc3ccccc23)O1 96914015 BLMBKPJFQYEJNV-RXYILKCJSA-N 554.901 8.504 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccc(C(=O)OC)cc2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293488 GEOLBFCLQDYXKJ-UHFFFAOYSA-N 534.678 6.593 50 1 KKGF CC(=O)O[C@@H](C[C@@H](OC(=O)[C@@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3CCOc4c(O)ccc2c43)CCNCC1)[C@H]1CC[C@@H](O)[C@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 150347261 BRFRPCHSAOUQDX-CYSQRKMGSA-N 916.301 7.656 50 1 KKGF biogenic,in-vitro O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2nc(-c3ccccc3)cc(Nc3cccc(Cl)c3)c2c1 169352632 URXOQWNFWCSKTM-UHFFFAOYSA-N 604.969 9.227 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 169621808 PWBCODFOAWWVMF-VIYGXFRKSA-N 709.406 8.079 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H]1O[Si](C)(C)C 238736362 GTYAYTGQTNZBGS-HPMAGDRPSA-N 698.243 7.736 50 1 KKGF Cc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(C)cc2)cc1 473154974 NQXHYCLLEXUMMB-UHFFFAOYSA-N 546.812 8.721 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cccc(I)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054626 HGUXWZADMPKDHG-XNTDXEJSSA-N 533.200 6.946 50 1 KKGF CN1C(=O)CCc2cc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587321051 HXVKMVPGOJJAIF-AZGAKELHSA-N 510.359 5.090 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)[C@@H]1c1ccc(F)cc1 587323739 STQFDBQVLJNJNZ-IAPPQJPRSA-N 572.257 8.036 50 1 KKGF Cc1c(N/C=C(\C#N)[C@@]2(C(C)(C)C)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(=O)n(-c2ccccc2)n1C 962567153 CLKUCAQEALQYPQ-KSGXASGRSA-N 708.819 6.901 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963090857 INXGJDKZCDIPKJ-SZNFULGQSA-N 891.509 8.609 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1[C@]3(C=C4[C@@](C)(CC[C@H]5C(C)(C)C(=O)C(C#N)=C[C@]45C)[C@]1(C)CC2)c1c(F)cccc1C[C@@H]1CCCN13 963095916 DIWXYMOJZPEUTP-KOEPWIALSA-N 666.922 8.865 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5ccc(=O)oc5cc1O2)[C@H]43 2356292775 JDSAMBQAJFSNIF-HWWMVBTPSA-N 714.910 5.171 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(C[C@H](CO)CCCO)CC3)[C@H](O)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356333041 NFOWMKPCTDKALR-DSKODDMXSA-N 940.238 8.638 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@H]([C@@H]1C[C@@H](OC(C)=O)C[C@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O1)CSSC2 2356357509 SDEJRMFZZXDSSI-UJWZCAJBSA-N 752.956 6.030 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSS[C@H]1C#CCc5c(cc(OCCC(C)C)c(O)c5OC)[C@@H](O2)[C@@H](O)[C@H]31)C4 2356365862 TWNDEBAHKGIRBP-VCEOGYRWSA-N 702.935 8.554 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356374199 PPSNTWWLJXAHIU-SXOMYIIFSA-N 877.220 7.464 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@](O)(CO)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)[C@@H](CCCO)SS[C@@H]5O 2356519960 TYGWZAMUBYOZNS-MSNGRSTFSA-N 958.290 5.039 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356530633 OZCVCBIHTFDSNM-SHGBRSIHSA-N 871.213 6.824 50 1 KKGF O=CC(=Cc1cc2cc3c4c(c2o1)CCCN4CCC3)CCC=CC1=C[C@H]2C=C3CCCN4CCCC(=C34)[C@H]2O1 2356706947 BQIBBZYDPMFYTP-SFRLIIPVSA-N 534.700 7.033 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCC5(CCCC5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356770581 CAJMJCFFFCRUFB-KFEVSRSZSA-N 902.182 5.577 50 1 KKGF C=CC1=C(C)C2=CC3=NC(=CC4=NC(=CC5=NC(=CC1=N2)C(C)=C5CCC(=O)OC)C(CCC(=O)OC)=C4C)C(C)=C3C=O 2356817168 DIJJFQSTLRGTBE-UHFFFAOYSA-N 590.680 5.911 50 1 KKGF CCN(C)C(=O)SC[C@H](CN1CCCCC1)SS[C@H](CSC(=O)N(C)CC)CN1CCCCC1 28872947 QBPSAUIEEKKUNB-VXKWHMMOSA-N 550.926 5.687 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSSC[C@H](C3CCCCC3)C/C=C/5OC6=O)[C@@H]42)CCCC1 85571143 WZOIYUSZMPIIOC-VUFJMETFSA-N 834.117 9.713 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)[C@](C)(CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)NCC(C)C 95583029 HNARRCKSOPUOSY-WJOKGBTCSA-N 540.645 6.989 50 1 KKGF O=C(/C(=N\Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC12CC3CC(CC(C3)C1)C2)[C@H](Br)C(=O)c1ccccc1 102985098 QYEDGIXYKFCJQL-FLIFVCDOSA-N 584.427 5.002 50 1 KKGF CCCSSN(C(=O)c1ccc2c(c1C)O[C@H](C)C2)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C 103219595 NMSLBPAAOZMSGD-LJQANCHMSA-N 500.730 6.940 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)N[C@@H](Cc5c[nH]cn5)C(=O)NN)CC[C@]4(C)[C@H]3CC[C@@]21C 118922303 HEIMOAMQOSNFRJ-LNQZNYEGSA-N 581.846 6.447 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@@H](CCC[C@H](O)CO)[C@@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)[c-]3ccnc3CC#C2)(CC1)C4 150349133 HVKDKBNSGMHVFA-POJSGRMKSA-N 889.173 8.105 50 1 KKGF biogenic,in-vitro CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@@H](Cc1cnc[cH-]1)[C@H](O)[C@@H]1C(=O)[C@@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(C4(NC)CCCCC4)c2)[C@@H](O)C[C@H]1CSSC3 150349733 LBQXKOFNDFERHS-YVKKSPEMSA-N 1024.380 11.337 50 1 KKGF biogenic,in-vitro C=CCO/N=C(\C[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3 169294098 WGDOECSYODBCCA-DGKOHACYSA-N 631.807 6.436 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOC(=O)CCC(=O)OCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297190 TUBXPWCSONVIAP-YAJOUUQDSA-N 706.870 6.134 50 1 KKGF CNC(=O)NC[C@H]1O[C@@H](n2cnc3c(NC(=O)NCc4ccccc4)ncnc32)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195446965 BXFGDYWLJUVKRK-ZYWWQZICSA-N 684.991 5.755 50 1 KKGF COc1ccccc1NS(=O)(=O)c1ccc2nc([C@H](C)c3ccc(CBr)cc3)[nH]c2c1 586974175 RZCCZEVABDWJJF-OAHLLOKOSA-N 500.418 5.419 50 1 KKGF O=C(Nc1ccc(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1)c1ccc(Br)o1 587006702 AMTHPQFEFFJEBB-UHFFFAOYSA-N 601.189 8.181 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054058 BORJPCQNJGBCFK-VGOFMYFVSA-N 554.197 8.123 50 1 KKGF COc1ccc([C@]2([C@@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1OC 587319152 AKDCCLZRBRLKCY-CKMSVJFGSA-N 501.348 5.586 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(N3CCOCC3)cc2)[C@@H]1c1ccc(F)cc1 587321059 HYWJXVWFOZHRND-AOYPEHQESA-N 512.375 5.017 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 587325697 GVTXMZBHFUFKQV-CPBHLAHYSA-N 586.063 6.230 50 1 KKGF COc1ccccc1[C@]1(c2c(NC(=O)CCl)sc3c2CCCC3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372009 GZJDCNRQCYBYNB-NSJVFKKDSA-N 592.088 6.960 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@]13OC(C)(C)O[C@@H]1C[C@H]1[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]13C)CC2=O 587465608 JCSCKGHTYJPXOW-SHFQWZQCSA-N 631.181 6.383 50 1 KKGF O=C(CBr)Nc1ccc([N+](=O)[O-])cc1[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587538281 OQBPAPPRFFRSBL-LSYYVWMOSA-N 609.816 6.193 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F 587543992 DFRAYMKWPMXTDN-HRAATJIYSA-N 515.228 5.941 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C[C@@]3(C)C(=C2)CC[C@H]2[C@@H]4C[C@@H](C)[C@](OC(=O)c5ccco5)(C(=O)CCl)[C@@]4(C)C[C@H](O)[C@@]23Cl)N1 587691078 BREUTBXLNPCBEQ-JEVOPGLHSA-N 735.518 7.631 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587841922 SMWCJJAJWDPABX-YKQNXRHISA-N 565.936 5.455 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](c1ccccc1)([C@@H](Br)c1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962638216 SKBZHHYJKGFNGY-BRWNIOCJSA-N 564.476 6.515 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@]1(CBr)c1cccc(OCC(F)(F)F)c1 963060345 DMCCWVZRWHVLJU-BERHBOFZSA-N 627.454 5.745 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cn(CCC[C@H](C)Cl)c2ccccc12)C1C(C)(C)C1(C)C 963629386 BDJBIKVTXFEXNU-XTTQDGHVSA-N 523.161 7.526 50 1 KKGF COc1ccc2c(c1OC)[C@](CBr)(c1ccc(F)c(C)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963775042 HZDONDLPBKAQKG-LJAQVGFWSA-N 565.439 5.539 50 1 KKGF COc1ccc(/C=C\c2cc(OC)c(OC)c(OC)c2)cc1OC(=O)OCCSSCCOC(=O)Nc1ccc(/C=C/[C@H]2CC(=C(C#N)C#N)c3ccccc3O2)cc1 1772619123 FPZVKQJTTRCUMR-OZRHDZEWSA-N 835.957 9.702 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)NCCNC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@@H]43)C2)cc(OC)c1O 1772652252 DZKIXUMHWJFRIM-CFBJCCIQSA-N 633.786 5.695 50 1 KKGF CC(=O)O[C@H]1[C@H](CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]4[C@H](C(C)C)CC[C@]4(C(=O)O)CC[C@]23C)C1(C)C 1857544152 JQIJBJQAMULRMS-BPEWXXHWSA-O 804.129 11.741 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@@H](c3c(C)nn(-c4ccccc4)c3Oc3cccc(C(F)(F)F)c3)C3=C2CC(C)(C)CC3=O)cc1 1857552250 UPSUCTARXQNAND-HKBQPEDESA-N 654.693 7.764 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@H](CCO)[C@@H]2C=C[C@@H]3[C@H](CC)N(CCCOC)CC[C@H]3[C@]21O)C4 2356354341 ZDTSGCBHISZYMX-XKRNRDFPSA-N 977.161 5.423 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNCCCc1ccccc1)O[C@H](O)[C@H]([C@@H]1CNC(=N)N[C@H](C(C)C)CSSC1)C3)CC[C@@H](O)CC(=O)CC2 2356355428 DVPSXLWOFILYRO-WBHMAOAMSA-N 831.114 5.772 50 1 KKGF CCCCC=CCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356627544 MPHZATYEHALXRU-PWLZNYQDSA-N 683.071 11.640 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356656418 UIOIUPXBVQUWKA-SSEGPKNYSA-N 713.063 7.314 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5[C@@H]6CC[C@@H](C[C@H]61)[C@H](CCCCO)[C@]52CC4=O)CCNC(=N)N3 2356689086 XNGSDPRAMXPNFI-CEXZGYNNSA-N 517.805 5.299 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@H]3O)C[C@@H](CCN5)Oc2cc(c(CO)cc2O)C[C@H]41 2356775424 LHYVXSQHIWBARK-IEXLZXSZSA-N 918.280 5.862 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](CN2C=CNC2)SSC1 2356805904 AEGHNFCSANQAJG-HMILPKGGSA-N 568.765 5.087 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@H]([C@@H](CO)Cc4ccccc4)CCCC[C@H]3O)C=C12 2356855206 RAMYLEPIGAOZCI-BNESGNKVSA-N 910.256 6.776 50 1 KKGF CSc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2-c2nc3ccccc3[nH]2)cc1 5801050 MZEOSUJBQDYSCH-SFTDATJTSA-N 600.742 7.401 50 1 KKGF O=C(SC[C@H](CN1C=CC=CC=C1)SS[C@H](CSC(=O)N1CCOCC1)CN1C=CC=CC=C1)N1CCOCC1 28872761 YRAPNCRVVUHDEJ-UIOOFZCWSA-N 622.904 5.274 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](/N=N\c1cccc(O)c1)C(=O)Nc1ccc(C)cc1-2 43523734 FFVOKMFWWBHGDO-LCINFKEOSA-N 523.253 6.575 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N4CCCC4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O 49863690 WCGDYOPDDDUSJM-DROFWNCESA-N 743.989 8.225 50 1 KKGF CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NN(Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)OCc1ccccc1)C(C)C 95545788 WVBXBQBNRBFSQX-RUPCYPOASA-N 751.925 5.510 50 1 KKGF CC1(C)CC2=NC(SSC3=C(C#N)[C@H](c4ccc(Br)cc4)C4=C(O)CC(C)(C)CC4=N3)=C(C#N)[C@@H](c3ccc(Br)cc3)C2=C(O)C1 95550189 PYJLLZUNSZUMKY-RNPORBBMSA-N 776.620 11.104 50 1 KKGF CCO[C@H]1[C@H]2C[C@@H]3C(C)(C)O[C@@](C/C=C(/C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 104354077 IKFKEJSONUWRCD-LTPXDSJQSA-N 590.713 5.722 50 1 KKGF in-man C[C@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](O)[C@@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1O 150550724 OAOGUBBGJGDGQT-PLKRWIMUSA-N 900.422 11.422 50 1 KKGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2ccccc2O)C2=C1C(=O)CC(C)(C)C2 169310100 PUIUWSIAQMSOET-MHZLTWQESA-N 531.620 5.013 50 1 KKGF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc(C#N)cc3)c2)n1 299857101 CMKAFFASPSZXRU-LFVJCYFKSA-N 621.101 5.844 50 1 KKGF CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc(Cl)c2Cl)C[C@H]1c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587056371 MWMRVIPSEPQSTC-SJCJKPOMSA-N 574.399 8.657 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190340 KGTAOCKSFIXOIS-UATTUGJOSA-N 579.757 6.734 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191079 OQNLCUBYMJJGLK-YEXLVFSCSA-N 658.653 7.496 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1 587371374 DETYQOFOOCIDSK-YWHPNGRMSA-N 620.142 7.596 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccccc1N1C(=O)c3ccccc3C1=O)CC2=O 587456270 LVLUTBIJTTWRMG-HHHXNRCGSA-N 520.379 5.401 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1c(Cl)ccc(Br)c1F)CC2=O 587468353 WLIIFZFKHYVGRI-LJQANCHMSA-N 506.593 6.155 50 1 KKGF COc1ccc(Br)cc1[C@]1(CBr)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587539517 WTAHFIQUYIAWFD-KNQAVFIVSA-N 520.173 5.415 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)c(C(F)(F)F)c1 587549479 QFVGZRHJRLOLPO-WIYYLYMNSA-N 558.144 6.426 50 1 KKGF COc1cccc(NC(=O)[C@H](Cl)[C@]2(c3ccccc3)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587689566 UNWODVNOLYWQBL-AWKKRCEGSA-N 517.826 5.621 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587714771 GUNMFIKRXKTFDZ-OKUPCCBQSA-N 693.069 7.464 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)c(F)c2)N1 587724720 LKVFVDPORPBCCC-XYZCENFISA-N 510.014 5.663 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc2c(c1)C(CCCCCCBr)(CCCCCCBr)c1cc(Br)ccc1-2 587875175 OQWALYKTMXZQSK-UHFFFAOYSA-N 811.324 11.424 50 1 KKGF CC(=O)[C@@]1(O)[C@H](Br)C[C@@H]2[C@@H]3CCC4=C[C@@]5(CC[C@]4(C)[C@@H]3CC[C@@]21C)NCCc1cc(C)c(F)cc15 962300815 QHEIAMWTVUQICK-CNAFUELQSA-N 544.549 6.131 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1ccc(Br)c(F)c1I 962376959 WBWAHRKKXLDNLL-HXUWFJFHSA-N 624.155 6.290 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CCl)(c2ccc(Br)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962567559 HMOPUGFUDLGSJZ-MVSFAKPFSA-N 621.890 6.726 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CCl)([C@H](CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962624524 FHPUGIBBHKEUHK-PWWNZBMUSA-N 611.132 5.195 50 1 KKGF COc1ccc2c(c1OC)[C@]1(c3cc(Br)ccc3OCC[C@@H]1Br)N(C)[C@@H](C)C2 962632116 ROFOMMLULZAZEY-MCVWCKRISA-N 511.254 5.132 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccc(C(F)(F)F)cc2)c(OC)c1 962684333 ZYHFGMVMYOVBHG-YMGMXPECSA-N 608.451 6.465 50 1 KKGF CCOc1cc2[nH]cc(C#N)c(=Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)C[C@@H]1CCSS1 1857552844 JQVCQRHMQDKKRO-HNNXBMFYSA-N 503.024 5.945 50 1 KKGF CO[C@@]1(C)OOC(c2ccccc2)(c2ccccc2)C[C@H]1COCc1cn(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nn1 1857580031 HPUXBHBSNDUNKQ-VPHSWYRMSA-N 698.824 7.453 50 1 KKGF Cc1ccc2c(c1)[C@]1(C(=O)N2Cc2ccccc2)C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857580992 OYWMPEMUELVHLY-UMSFTDKQSA-N 553.574 5.393 50 1 KKGF CCCCOC(=O)[C@@H](NC(=O)OC(C)(C)C)c1cn(Cc2cc(B3OC(C)(C)C(C)(C)O3)ccc2N(CCCl)CCCl)c2ccccc12 1857589133 TYUYGVLMVBJGAM-HKBQPEDESA-N 702.529 7.182 50 1 KKGF C=C1CC[C@H]2[C@@](C)(CCC(=O)[C@@]2(C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(C)=O 1857748256 SCPKTCVWVMYYAV-DQVLGKLOSA-N 504.740 5.771 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCNc2cc(ccn2)[C@@H]1CN1C(=O)C=CC1=O 2356338528 ZSYRVTXKKPIVGB-ULPJUXNHSA-N 685.868 6.592 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356352631 XPVJWCGATZLZPL-ZNWIQUOHSA-N 733.047 5.950 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4ccccc4)(CCNC(=N)NC4(CCCC4)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356353185 JQJOKSCWQMFEBA-PPNHYNQGSA-N 835.190 8.800 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@H](CCO)[C@@H]2CC[C@@H]3[C@H](CC)N(CCCOC)CC[C@H]3[C@]21O)C4 2356353834 CVJATYXTCFKNNM-XKRNRDFPSA-N 979.177 5.647 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356364540 YFAAPHSWUTXVSI-JBFFVFBNSA-N 571.849 6.072 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@@H](O)[C@@H]3O)cc(C(=O)O)cc2c1O 2356364983 CSFRVPIHRLBUNR-FYKWPEBGSA-N 828.999 5.211 50 1 KKGF C[C@@H]1[C@@H](CO)C[C@H]2CC3=C4CCC[C@@H](NC(=N)N)C5(CCCCC5)SSCC[C@@]2(C)[C@]31CC4=O 2356371385 YQLXRZZYHNALCQ-QUDRBECYSA-N 505.794 5.427 50 1 KKGF CC[C@H](Cl)C[C@H](Cl)C=C[C@@H]1O[C@@H]1[C@H](Cl)[C@H](Cl)[C@H](Cl)C[C@@H]1OCO[C@H]([C@H](O)c2nc(C(C)=O)cs2)[C@H]1C 2356500308 RGMRJERYAWLGFL-IMPTWXNOSA-N 623.854 6.308 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356516190 OVTNXNNDQDIEMZ-AARISYTCSA-N 843.203 7.239 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=O)[C@@H](Br)CC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356730588 UKWGOBGGUGJZAH-IIFFJLGTSA-N 551.719 10.118 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O)CC(=O)CC2 2356769583 JBVWVZYUXLXYMK-RCZUJUSPSA-N 540.703 5.604 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356824154 GSZJLLQQHIZLCM-PNBNKPSESA-N 861.140 5.405 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@H]2CN[C@@H](N)c5ccc6c(c52)CC2=CN=C5CN(C=C25)[C@@H](O4)[C@@H](C#C[C@H]6O)C2(C#CO3)CCCC2)CC1 2356858480 TUHWCANAJAFRAP-MDDYZBTFSA-N 829.101 7.147 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356868412 XBHGSGMMYJIZBR-GDVREHPHSA-N 817.087 5.797 50 1 KKGF C[C@]12CC[C@@H]3[C@@H](CC[C@@H]4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@@]43C)[C@H]1CCC(=O)N2 5615741 JMZJBCNHUJOLER-OHJCZFIFSA-N 563.610 6.336 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](C)(C)Cc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC 5844028 TVEMWUHYCGTRLW-HXUWFJFHSA-O 580.061 5.852 50 1 KKGF CCCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C(=O)OCCC)CC1)OO2 95606876 PIVBWEVKAIBIDB-ZFTDBBGLSA-N 748.951 7.544 50 1 KKGF CCOP(=O)(OCC)OCC(C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 95612861 BVYDASURJWTWHD-UQEXJMOHSA-N 742.884 8.082 50 1 KKGF Cc1ccc(OCc2nnc(N3C(=O)[C@H](Cl)[C@@H]3c3cccc(Br)c3)o2)c(C(=O)c2ccccc2Cl)c1 103195485 DDJSGYAGMYMQTJ-PKTZIBPZSA-N 587.257 6.299 50 1 KKGF Cc1cc(C)cc(C(=O)N(N(SSN(C(=O)c2ccc(Cl)cc2)N(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)C(=O)c2ccc(Cl)cc2)C(C)(C)C)c1 150587865 MLRGHANFIJOHFD-UHFFFAOYSA-N 779.856 10.735 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@H]2Oc3nc(=O)c4c(n3[C@H]2[C@@H]1O[Si](C)(C)C(C)(C)C)CCCC4 195340071 CTESTTYWSJXRGE-DYQZNNLLSA-N 508.808 5.193 50 1 KKGF CCCC[C@@](C)(C/C=C/[C@@H]1[C@@H]([C@@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C 195419964 CDLLQQUCUNYKKE-IGMNKOPUSA-N 584.987 7.813 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)[C@H]2CCCCN2)C1 195824744 JEJIRIPSVOBZDX-BUJSINNUSA-N 517.915 7.929 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 253930160 WYBFHVSAXDKMJV-MRRYWGLFSA-N 743.245 5.627 50 1 KKGF COC(=O)c1ccc(O)c(/C=N/NC(=O)c2ccc3c4c(ccc3c2)N2Cc3c(ccc5cc(C(=O)N/N=C/c6cc(C(=O)OC)ccc6O)ccc35)N(C4)C2)c1 299871578 YSGIKLYQGQLPQU-BKCXJZATSA-N 762.779 5.803 50 1 KKGF O=C(O)[C@H]1[C@@H](c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 587010052 FHNQBQHYVKEDDN-CYCZDISDSA-N 665.904 8.613 50 1 KKGF C[C@@H](Oc1ccc(Oc2ccc(Cl)cc2Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587055922 RKCZEQFADLDNNK-LLVKDONJSA-N 604.222 10.222 50 1 KKGF Cc1cc(Br)cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c12 587191276 SESDORUUDQPHFO-FOUJCUFCSA-N 654.690 7.666 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1[C@@H](C)c1ccccc1 587329979 ZDCIOBHBSHYIME-JTWLRGFHSA-N 504.001 7.052 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1c(NC(=O)CCl)sc3c1CCCC3)CC2=O 587496714 STHZJNCBFXBJSG-MUUNZHRXSA-N 510.055 6.371 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F 587543994 DFRAYMKWPMXTDN-IERDGZPVSA-N 515.228 5.941 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 587685430 SXVKFFQDFVCMOM-HUTHGQBESA-N 517.053 5.496 50 1 KKGF C[C@H](C(=O)Cl)n1nc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C1CC1 587891491 HONVJLRJSKEUJB-LLVKDONJSA-N 506.739 5.123 50 1 KKGF Cc1c(N/C=C(/C#N)[C@@]2(C(C)(C)C)c3ccsc3CCN2Cc2cccnc2)c(=O)n(-c2ccccc2)n1C 963013049 QEFHUJGMOHFOHG-ZRBJGCHVSA-N 538.721 5.760 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2ccc(OC)cc2)N1 963158155 NBRXAWRBTIWXCN-MSEJLTFDSA-N 648.601 6.614 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 963226100 KIGIKEYZGIJUPD-JXFKEZNVSA-N 528.603 5.027 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCl)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(C)cc1 963243323 RWOJBLWSRIAGKQ-LDVROUIZSA-N 511.131 5.676 50 1 KKGF CCC(C)(C)[C@@]1(CBr)c2cc(O)ccc2C[C@@H](C(=O)OC)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381306 UQRQLHJKMLEYIW-GMCHKSTQSA-N 592.530 6.767 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc3c(c1)CCN3C(C)=O)([C@H](C)Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963732523 UPRYQTYCRBIMAK-DUTUXMCTSA-N 586.088 5.233 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](C)(c2cc3c(cc2NC(=O)[C@H](C)Cl)OCO3)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938803 QPWLQLFFUPFBLX-BMTWDIHHSA-N 729.321 5.382 50 1 KKGF CC[C@H](C)[C@@H](c1nc(C(=O)OC)co1)n1cc(C[C@H]2C[C@H](C(C)C)C[C@H](O[Si](C)(C)C(C)(C)C)C2)nn1 1857569412 KBJGSEURNATIHP-KABZDYAQSA-N 532.802 6.693 50 1 KKGF Cc1ccc(C(=O)c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)(C)C)c3o2)cc1 1857640428 JFDCFNJWLZSLNI-SANMLTNESA-N 508.618 6.721 50 1 KKGF CC1=C(CCl)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@H](Cl)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857642151 RKCUGHFGWLXLAN-YHUIYOSYSA-N 507.498 5.846 50 1 KKGF CC(=O)O[C@H]1CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)CC[C@H]5OOC(C)(C)O5)CC[C@@]2(C)[C@@H]4CC[C@H]3C1(C)C 1857772233 AJGHAVNUIRHBAT-FQWGTIQDSA-N 516.763 7.814 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356299557 DMLLRSNOEOFTQQ-BJTJZCSISA-N 871.135 7.201 50 1 KKGF CNCc1cc(O)cc([C@]2(C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)CC[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)c1 2356300704 PCPSYCJBDXEEQI-HQSNWMKBSA-N 918.191 8.413 50 1 KKGF CC[C@@H]1C[C@H]2CC[C@H]1SSC[C@H]1C[C@@H](Cc3cc(O)cc(c3)Cc3ccccc32)C[C@H]([C@@]2(C)C=CC[C@@H](C)C2)C1 2356352578 WUJRZIIBPABWBF-BCWHODMOSA-N 574.940 10.608 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@@H](CO)CC3)CC(=O)CC2 2356352599 XCORWOQIWRVUOY-MUYYINBHSA-N 971.292 8.982 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356365548 NTUFHXNPEPSSFI-WLSCZJRUSA-N 787.139 7.120 50 1 KKGF CC1=C(CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]32C)[C@@H]2[C@H](C[C@H]1OO)[C@@](C)(O)CCC2(C)C 2356431123 CXYXLYVALJRWSW-HMNWLSHPSA-N 508.740 5.634 50 1 KKGF CC[C@@H]1O[C@]2(CC[C@H]1C)C[C@H]1C[C@@H](CC=C(C)C[C@H](C)C=CC=C(C=O)c3cc(O)c(C)cc3C(=O)O1)O2 2356641219 JGPJFMHMGCEUNW-DHVTWPODSA-N 522.682 6.841 50 1 KKGF C[C@H]1C[C@]2(C[C@@H](C)C(=O)O2)O[C@H]2C[C@]3(C)[C@@H]4CC[C@@H]5[C@H]6C[C@@]4(CC[C@@]3(C)[C@H]12)OO[C@@H]6CC(=O)OC5(C)C 2356678990 AVQUXXDBAIYVRE-FHVQQRDTSA-N 516.675 5.344 50 1 KKGF CCN(CC)c1ccc2c([C@@H]3C(C#N)=C(N)OC4=C3C(=O)C[C@H](c3cccc5ccccc35)C4)cc(=O)oc2c1 95558990 NAAHDXASTHKBTH-PKHCJMHPSA-N 531.612 6.001 50 1 KKGF CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)C3=C(OC(C)(C)[C@H](OO)C3)[C@@](C(=O)c3ccccc3)(C2=O)C1(C)C 101672239 QSBKSFLMMQOILO-PSQRUQSASA-N 534.693 7.064 50 1 KKGF CSc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@H](OCCCl)C(Cl)(Cl)Cl 103217713 ZVRJKIRRSDFDHY-CQSZACIVSA-N 577.070 7.155 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)O)CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1 136246110 AFAQWCBBSKZOJA-VHXXJFIISA-N 602.404 6.200 50 1 KKGF C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@@H]6C7=CN=C8C=[N+](C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 150348926 WJQWNGVDWREDFK-ZPHWFEOFSA-O 884.113 5.869 50 1 KKGF biogenic,in-vitro CCc1ccc2cccc(CCO)c2c1Cc1c(C[C@H](Cc2cnc[cH-]2)[C@H](O)CC(=O)[C@@]2(c3cc(O)cc(CNC)c3)C=C[C@@H]3SSC[C@@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 150349753 RGYKWGDZCZFFOG-VTKYAMLNSA-N 987.274 8.072 50 1 KKGF biogenic,in-vitro CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 170071400 ZNZJRVRQJDIXTI-RDIZTWCZSA-N 677.099 10.893 50 1 KKGF O=[N+]([O-])c1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)ccc1Cl 587047477 INBJLMSZQVBISY-RQOWECAXSA-N 504.662 7.715 50 1 KKGF COc1cc(Cl)c([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587319570 CDGOVOZZNKLYPT-VWNXMTODSA-N 521.766 5.851 50 1 KKGF O=C(O)C[C@H](Br)[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537414 FFVSZLGWCHKKRR-GREBRCKQSA-N 503.732 5.141 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1C[C@@H]1COc2ccccc2O1 587544924 PPQGKPTXOHUNBI-XCXKENDISA-N 531.992 5.746 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)([C@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)N1 587688268 KFMLYYLOAWTOBF-NYEJTYJQSA-N 531.809 5.341 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 587710486 CZCGCJJMQDAXCK-WLRWDXFRSA-N 503.725 5.204 50 1 KKGF COc1ccc2c(c1)[C@@](c1ccc(Br)cc1)([C@@H](Br)C(=O)c1ccc(Br)cc1)N(C(C)C)CC2 962090032 IDLWSDYWFSYCRC-SVBPBHIXSA-N 636.222 7.377 50 1 KKGF COc1cc([C@]2(CBr)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1F 962406200 RGLPBATZSWCZPY-AKGWNBJDSA-N 617.471 6.128 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962566989 BQIQYUITPAXRFY-LDJRGBAMSA-N 701.617 7.849 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(/C(=C(\C)NNC(=O)Cc3ccccc3)C(=O)c3ccccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963797608 ZGOJCXVAFDLODK-IQAHFODXSA-N 654.723 5.030 50 1 KKGF O=C(Nc1ccc2c(c1)OCO2)[C@H](Cl)[C@]1(c2ccccc2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963816979 IUZPGZBUCVDKSX-DITALETJSA-N 566.057 6.111 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOCCCOC(=O)c4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@H]21 1772608767 DUHHCVCQAJOHFE-UMSFTDKQSA-N 663.646 6.726 50 1 KKGF O=C(Nc1ccc(C(=O)NN=C2C(=O)Nc3ccc(Cl)cc32)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 1857598208 XYOIZOYTIOMCHG-UHFFFAOYSA-N 536.297 5.742 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(C[C@@]53CCC[C@@H]3O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356350048 TYBUQOBVESSUHM-PLNFWPLBSA-N 964.297 5.843 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSS[C@H]3CC[C@H]2C[C@H]3O)c1 2356353647 AWRSQBYOOFLMHP-BTMXJEJNSA-N 718.938 6.971 50 1 KKGF CC(C)Cc1cccc([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@@H](CCCO)[C@H](CO)C5)c1 2356354750 PPXZJLMENKGELZ-OBALNUETSA-N 680.037 7.252 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@H]3CC[C@@]4(CCC[C@@]4(NC(=N)NC2)SSCCCCCC[C@H](O)C1)C3 2356360867 QEZFPCQAONZDAC-IBGXLYDFSA-N 925.315 9.612 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]41CCC[C@H]5[C@H](O)[C@H](O)C1 2356366535 KZIPILLGHQBMAR-IEQXILJFSA-N 880.223 6.607 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)CCC=C(C)CNCC1CCCCC1 2356489184 NBOYRKMILJEXDZ-FJHOXWKRSA-N 640.950 5.710 50 1 KKGF COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C=O)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC 2356564331 ZPYRTVUAMSRSOX-UHFFFAOYSA-N 610.923 11.367 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@](O)(CO)C[C@@]35C 2356594140 KCGPPBJFQSOPTL-HELHKFAGSA-N 908.233 5.746 50 1 KKGF C[C@@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@@H]1OC(=N)O 2356663664 PXEFELGJKKNAPC-JHVDKOPNSA-N 774.223 11.267 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@@H](O)CC3CCCCC3)C2)[C@@H]1CC(=O)O 2356672241 BFSIVCYSFHTQQN-LWANLWGFSA-N 692.044 8.617 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@@H](C)COC(=O)C(C)(C)C 2356700453 MUTVNXBVNLPRDD-ZALSZRDLSA-N 640.975 7.984 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@H]2C[C@@H]3C[C@H](Cc4cc(O)cc(c4)[C@H]4CC[C@@H](N[C@@]5(C)CC[C@H]3SSC5)c3ccccc34)C2)C1 2356701149 VTDVUTFXOZHUIV-XOQSDWFCSA-N 587.939 9.832 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(O)CCNC)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356774307 VAFCTJSFDHSEEW-OBINHHSJSA-N 657.936 6.583 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356775564 NGMZJWKQBGPKHP-JWFVUNDISA-N 937.362 11.120 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)O[C@H](C(N)=O)C(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@@H]2C2=CCN=C2)c2ccccc21 2356844273 NTDHAHQMXPDKAH-YCWBCHLESA-N 968.184 5.632 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@H](O)[C@H]3C[C@@H](C=C[C@H]1C3)C2 2356845459 OFDGRCGXCJYOGD-JYFURVRZSA-N 826.138 6.111 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356862878 UOFVMAIMAPWBSH-FIBTXHTRSA-N 909.228 7.995 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCC3)[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356868762 DESMCVDOWIERHG-MSDHGHNWSA-N 700.903 6.242 50 1 KKGF CC#CC[C@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCBr)C/C(=C/CCCC(=O)O)C[C@H]12 27517298 JBOMKSHMNRADSH-CSDDOOCNSA-N 505.493 5.090 50 1 KKGF COc1cc(/C=C/C(=O)N(/N=N/c2cc(C(F)(F)F)ccc2Cl)c2cc(C(F)(F)F)ccc2Cl)ccc1OC(C)=O 72178940 OJFXMXOFKRRWQV-IIEJRAKUSA-N 620.333 8.710 50 1 KKGF Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4onc(C)c4C)cc3)cc2)c1C 95542284 OTELTKZJHHEGEP-UHFFFAOYSA-N 804.954 7.802 50 1 KKGF C/C=C\C=C\C=C\[C@@H](CCCCCCCc1cccc(O)c1O)OO[C@@H](/C=C/C=C/C=C\C)CCCCCCCc1cccc(O)c1O 95661639 NWTCTFHWVLMPEJ-GKSAORKKSA-N 658.920 11.038 50 1 KKGF in-vitro COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3-c3c(c4ccccc4n3CCBr)[C@H]21 103224860 VVWDTKZRBOMUHT-CRXYYGHGSA-N 508.500 7.545 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@@H](C)CCC(N)=O)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 137765035 OWQBFKFZINYBFL-JQPGYGKFSA-N 647.850 6.533 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](Cl)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169358475 YNMLUPLDAJOVTM-QWCSCQODSA-N 605.212 5.778 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CN=C4[C@@H](Cl)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)N(c1ccc(Cl)cc1)C1CCCC1 169713798 KIRJENQTDJNKGS-CMGQXRJASA-N 529.552 7.106 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(c1ccccc1)(c1ccccc1)c1ccccc1 170069514 ZGOBOELGRBUBPZ-ILJQZKEFSA-N 584.789 6.223 50 1 KKGF CC(C)CCOc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1Br 587191385 TZICONKPFJNCEZ-JMYPMBCISA-N 726.797 8.782 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc(Br)cc1 587320488 AOECVCVBWPPSEY-XCZPVHLTSA-N 554.843 7.195 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 587685293 PJOGVUMRGRTZTE-YDBLSZJJSA-N 548.239 5.789 50 1 KKGF CC1=C([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 587713487 DCUYIRPSTDOMCL-RDYDDWNZSA-N 606.979 6.854 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CCCCCCCl)(c2ccc(OC(F)(F)F)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962410985 XZIFUVVRVBJHOV-YYFXGUOYSA-N 679.135 8.674 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3c(F)ccc(C(F)(F)F)c3F)N12 962648757 WTMUSZQUUVZEQZ-FCHUYYIVSA-N 529.303 5.269 50 1 KKGF O=CC1=COc2c(CCl)cc(Br)cc2[C@]12c1cccc(F)c1CCN2[C@@H]1CCSC1 962693045 BYZCZNMGWSCJEB-UZUQRXQVSA-N 508.840 5.409 50 1 KKGF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2[C@@](CCl)(c2ccc(Br)c(Cl)c2O)N1 962704036 UBYANDUEWHQGCU-CXAGYDPISA-N 517.100 5.047 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(CC(C)(C)CC3=C2[C@@H](c2ccc(Cl)cc2)C(C#N)=C(N)O3)N1 963167599 AMPSHQDCELTVLU-KVSVAYJWSA-N 748.327 8.397 50 1 KKGF C[C@@H]1[C@H](O)CC(=CCC=O)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@@]34C)[C@]21O 2356349967 RLUPWBUOWXFZJH-IGXIKFSKSA-N 686.981 5.569 50 1 KKGF C=C(C=CC=C(COC1(O)CCCC1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356351928 IBANCOZCIYDINR-FNWBEBLTSA-N 857.186 6.577 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@@H](OCO)C[C@H]2O)cc(OC)c1O 2356369140 CMARFXFYMOGBLM-PIUCPPCZSA-N 780.059 6.032 50 1 KKGF CCCCC[C@H](C[C@H](O)CO)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@H]2O)C3 2356409598 MYPIUKNZCUXEMS-MWNFSSFKSA-N 976.315 9.096 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@@H]([C@](O)(CCCCO)C1CCN(CCCOC)CC1)C3 2356431859 HMJLYNKLXVLNNK-WOVUOWBQSA-N 800.946 5.313 50 1 KKGF C[C@H]1CSSC[C@@H]2C[C@@H]([C@@]3(C)C=CC[C@@H](C)C3)C[C@@H](Cc3cc(O)cc(c3)Cc3ccccc3CN1)C2 2356616619 ZUTGYYMJMBNNFI-DOCALJIASA-N 535.863 8.424 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356665399 FWGOBHRCYWDLJQ-DQFLYVEPSA-N 781.098 7.270 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@@]56CC[C@@]7(CCC[C@@H]7CC[C@@H]54)[C@@H]6O)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@@H]2O 2356736797 PRWOWJJUDYBGGL-FDNDWUHCSA-N 998.311 5.964 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H]([C@@H]2O)[C@H]2CC[C@@H](C[C@@H](C5)c3cc(O)ccc3-4)[C@@H](C)CCSS2)c1O 2356739029 VKONUJCOSYXSTI-PCWHDNFMSA-N 738.965 8.083 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCCO)(CCOC)Cc2cccc(c2)C1 2356768674 RGBYPNPZOQFIBQ-WJUBIICNSA-N 875.201 5.102 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356817076 DHDUIYFPPVNIEY-MEOOSVTASA-N 912.052 5.702 50 1 KKGF CNCCCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356841069 NEIOCSZNRUEUOC-KOWCADSHSA-N 872.075 6.393 50 1 KKGF C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)OC4=O)C[C@@H](NCc2ccccc2)[C@@H]1O 43990325 OLQRKMUWNZXFCQ-JPLNOYHBSA-N 545.595 5.566 50 1 KKGF Cc1cc(C)cc(/N=C(\OCCN2C(=O)c3ccccc3C2=O)SS/C(=N/c2cc(C)cc(C)c2)OCCN2C(=O)c3ccccc3C2=O)c1 49898325 HNNRXDAILLTEBW-HVMBLDELSA-N 706.846 7.602 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NC1CCCCC1)c1ccc(NC[C@H](C)O)c(CO)c1)CC(=O)CC2 85597336 MOQQOAHWYLYLLP-BEQBQKBCSA-N 805.072 8.146 50 1 KKGF biogenic,in-vitro O=C(N/N=C/c1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)ccc1O)c1ccccc1 103256002 DAHDPEIPCDLACT-UHFFFAOYSA-O 515.573 5.650 50 1 KKGF CCc1ccc(C(=O)N(N(SOc2ccc(-c3ccccc3)cc2)C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103293492 PCBNCJSGLMPGMR-UHFFFAOYSA-N 552.740 8.473 50 1 KKGF CC[C@@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[C@H](OC)[C@@](O)(CBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 299818287 QLCCWSNDASPFBV-OEBDGWITSA-N 966.013 6.143 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 299846947 ABAPNRUCCZDZNU-AUDXACHASA-N 675.904 7.184 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2c1ccc1nc([C@H](Br)C(C)(C)OC)[nH]c21 586970529 CCPMIPMZNYXHCR-PMERELPUSA-N 647.614 7.684 50 1 KKGF CCN(CC)c1ccc2c(c1)Oc1cc(N(CC)CC)ccc1C21OC(=O)c2cc3nc([C@H](C)Br)[nH]c3cc21 587008093 HDDGJMYUEWYBBN-SFHVURJKSA-N 589.534 7.279 50 1 KKGF CCn1c(-c2ccccc2)c([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c2ccccc21 587325114 CDMFWSGVLFLBKA-IUDBTDONSA-N 526.007 7.666 50 1 KKGF O=C1c2ccc(O)cc2O[C@@]2([C@H]3C[C@H]4[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]5(Cl)[C@@H]3[C@@H]4[C@]2(Cl)C5(Cl)Cl)[C@H]1c1ccc(F)cc1 587326893 NHBHUEAAUDVSJP-NMFGBCAWSA-N 609.135 6.882 50 1 KKGF CCC(=O)O[C@]1([C@@]2(CCl)CC(=O)c3cc(C)cc(N)c3O2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587381935 ISYRRKJNSQCDMD-ZRPAKWBXSA-N 614.154 5.829 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(CCc3ccc(OC)c(OC)c3)c1C)CC2=O 587461601 RQPPJPOEQOYJNO-GDLZYMKVSA-N 512.046 6.122 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c1)(c1ccccc1F)CC2=O 587463523 BJGDXKAGRHWTRS-OLUSGHDESA-N 574.574 7.814 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)cc1 587541335 BABBTXDCDWSLEL-BBSHIGFISA-N 508.401 6.938 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 587672257 FIKGWEKXETZNCG-LRTDBIEQSA-N 520.281 5.360 50 1 KKGF COc1ccc(C2=C(NC(=O)CCl)Oc3ccccc3[C@@]23N[C@@H](C)Cc2ccc(F)c(Br)c23)cc1 587683445 HDPKSLKYSQNVBL-QZXCRCNTSA-N 557.847 5.491 50 1 KKGF COc1cc(/C=C(\C#N)[C@@]2(c3ccc(O)c(O)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(I)c1O 587738404 ODNLXWFTWJWSGX-BWUJLBMFSA-N 651.270 5.703 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C/C/C=C\CCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587959163 JZUGRYNKBWATFU-XSCOUVMYSA-N 607.571 11.837 50 1 KKGF CC(=O)O[C@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H]1c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717028 RABIVBSIRDFQLJ-IWWKEGNOSA-N 912.233 7.910 50 1 KKGF CC(C)(C)c1ccc([C@@H]2C(C#N)=C(N)OC3=C2OC(CO)=C[C@@]32c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963011591 HNPIBRYMPWRUQG-FCUWZOGCSA-N 677.157 6.092 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CBr)(c2cccc(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085705 RPORTZNQTRLJEO-AEGYFVCZSA-N 772.560 8.421 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(/C=C/C(=O)c4cc5ccccc5o4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772608941 BWZUEECDVSFZHI-LDSMGQDJSA-N 574.670 6.932 50 1 KKGF Cc1cc(/C=C/C#N)cc(C)c1Oc1nc(NC2CCN(Cc3ccccc3Br)CC2)nc2ccsc12 1772611941 DPXYCURQGLYILK-AATRIKPKSA-N 574.548 7.476 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857618802 SGXXTHLWCJMXSZ-QGZVFWFLSA-N 538.438 5.398 50 1 KKGF CC[Si](CC)(CC)O[C@@H]1CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@@H]2[C@@]12CO2)C3(C)C 2356338968 FQUUEVQWEWPIDX-PJRGMTMNSA-N 606.829 5.303 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSSC[C@H]([C@H](C)O)Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356364543 YFAAPHSWUTXVSI-SPGYPSSSSA-N 571.849 6.072 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@@H]2O)O3)[C@H]2CC(c3cc[nH]c3)=C[C@@H](C2)SS5)c1O 2356371179 WWITVMGWCHFOIU-SSJIVNTISA-N 884.126 9.099 50 1 KKGF C=C(C)[C@H](CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]12)OO 2356411497 QRFKWBARTXTCMY-CPESGCMOSA-N 500.676 5.498 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356440252 SWCLCJACYNBTKI-PGJDHEDFSA-N 919.216 8.422 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356604197 RGIGOAOBPRHHLD-SATXNLNTSA-N 964.341 7.508 50 1 KKGF CO[C@@]1(C)[C@H]2Cc3cc(ccc3O)C(=O)O[C@H](C(C)(C)Br)CC[C@@](C)(O)[C@@H](Br)CC[C@@]2(C)[C@H]2C[C@H]21 2356615281 CLIROQKLHXWUFL-OGVNMVRSSA-N 616.431 6.399 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOC)C3)c2)N1 2356711596 HOMMFWZRPGECIA-LXYBXQJWSA-N 727.006 6.707 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(C)O)CCC=C(C)C 2356774497 ZJCXCUZNFKCXMG-XSQFSQBZSA-N 534.737 5.302 50 1 KKGF CNCc1ccc(CO)c([C@@H]2C=C[C@@H]3C[C@H]4CSSC[C@H](CCO)[C@@H]5[C@H](CO)C[C@H]6CC7=C4C(=O)C[C@]75[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@@H]24)c1 2356780049 JRGLPKVAFBBFGN-XSRRHVEWSA-N 785.180 5.746 50 1 KKGF CCC[C@@H](I)c1c2[n+](cc3c(OC)c(OC)ccc13)CCc1cc3c(cc1-2)OCO3 40897370 XUCXRBSDWVSTLN-GOSISDBHSA-N 518.371 5.373 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)C(=O)N(C)C)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]3O 49863669 OFFSTXXHFZWHDZ-HJSRWWOQSA-N 717.951 7.690 50 1 KKGF CC(=N/NC(=O)COc1ccc(Cl)cc1Cl)/C(=N\Nc1ccc(Br)cc1)Sc1ccccc1 82155935 JRPSTXAQZJUDGW-XTXFLMMRSA-N 566.308 6.845 50 1 KKGF CCOP(=O)(OCC)C(C)(C)NCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 95585452 PKJRBNPRSNEWCT-UHFFFAOYSA-N 624.807 9.473 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCC#Cc3ccc(C#CCCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169309823 YWSALYONOOFRNJ-OKLLLVCPSA-N 746.938 7.619 50 1 KKGF C/C1=C/CC/C(C=O)=C\[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C/CC1 169369811 XJBILGKCOVAJTM-FZPDBAHLSA-N 527.573 7.137 50 1 KKGF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587041845 GAIULCWHOHMQQI-CYBMUJFWSA-N 534.757 7.292 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc2c1 587047966 CPUKTFNECROXIF-RKDXNWHRSA-N 508.137 8.561 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)[C@@H]1c1ccc(F)cc1 587335430 QXODESBXJZKHIQ-VGOFRKELSA-N 593.045 7.348 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)c(F)c2)[C@H]1c1ccc(F)cc1 587339696 ZGNCTBOLTUGVGL-RBBKRZOGSA-N 524.155 6.082 50 1 KKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587377549 SADOBXXDIXMPMD-PTQGQDMXSA-N 503.979 5.368 50 1 KKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(-c4ccc(C(=O)CBr)cc4)cc1)[C@@H](C2)C3=O 587411038 BDNQSOUUODGRKV-LVXARBLLSA-N 556.250 5.978 50 1 KKGF [C-]#[N+][C@H](c1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccc(C)cc1 587897057 ZSERFYGFFWHOLD-SANMLTNESA-N 511.430 5.404 50 1 KKGF CCOC(=O)c1sc(-c2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)cc1NC(=O)CCl 587897806 WBOSHNQIJAURFU-UHFFFAOYSA-N 563.890 5.786 50 1 KKGF Clc1ccc([C@@]2(CBr)NC3(CC3)Cc3ccc(Br)cc32)cc1Br 961616148 QYTXBIAVSKBLNM-GOSISDBHSA-N 520.490 6.182 50 1 KKGF COc1ccc(CC(=O)NN/C(C)=C2\C(=O)c3ccccc3[C@@]23c2c(ccc(F)c2F)C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963033331 GICSLDUHELABJD-TXKPSTPMSA-N 785.800 6.820 50 1 KKGF CC#C[C@@]1([C@@H](C)O[Si](C)(C)C(C)(C)C)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963105066 UYYIXPVBOWSFMX-TZPFESFOSA-N 615.890 8.619 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(N1)c1cc(Br)ccc1OCC[C@@H]2Br 963191223 OOFBBEYHRIMFJA-RFUYNDQBSA-N 569.599 5.510 50 1 KKGF CCCCOc1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)cc1 963197856 ULKMOFLZRNZUNZ-PZJWPPBQSA-N 520.773 5.775 50 1 KKGF CC(=O)N(c1ccc(F)c(Cl)c1)c1ncnc2ccc(COC(=O)CCCC(=O)N[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc12 1857540652 HVAYCFJIPIRVPU-XNCGVLEZSA-N 725.214 6.645 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857579450 LXUSLXWOOVBKFS-MRXNPFEDSA-N 513.428 5.526 50 1 KKGF Cc1ccc2c(c1)[C@@]1(C(=O)N2Cc2ccccc2)C(C#N)=C(N)Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c21 1857580993 OYWMPEMUELVHLY-UUWRZZSWSA-N 553.574 5.393 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3cccc(F)c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857603975 BXMHLEOIMRWJGX-IURCMVACSA-N 600.459 5.541 50 1 KKGF Cc1cc2nc3c(nc2cc1C)[C@H]([C@]12CCc4c([nH]c5c(C)cccc45)C1=C(C#N)C(=O)N2)c1ccccc1-3 1857762124 HRZGYHMHWMSRCU-UTONBFNKSA-N 507.597 5.941 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356292450 HFARLHLTUHQNDS-ZYKOCOCDSA-N 713.922 6.898 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1CCc2ccccc2CSSC[C@H](Cc2cccc(CO)c2)[C@H](CC=C[C@H](O)[C@H](O)C2CCCCC2)CC[C@@H]1CCN 2356401604 KDFFTWWWHDDJTR-YHWUCRQISA-N 728.074 7.173 50 1 KKGF C[C@]12CC[C@H](O[Si](C)(C)C)C[C@@H]1CC[C@@H]1[C@@H]2[C@@H](O[Si](C)(C)C)C[C@@]2(C)[C@H]1CC[C@@]2(O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)O[Si](C)(C)C 2356490329 DUBRZSYNDDSLBA-PURUSNTLSA-N 729.429 10.741 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)cc(OC)c1O 2356538877 UIPOWAZXHADFPA-WJTBNPNNSA-N 634.816 7.519 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356667944 XDUQAHOQCDXXEG-MSRCFLMTSA-N 956.370 6.276 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O)CC(=O)CC2 2356769582 JBVWVZYUXLXYMK-PXCCAFOQSA-N 540.703 5.604 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356777276 RIWIQZBJCOZPIZ-GOVYPMRZSA-N 719.027 6.797 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C6CCCC6)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356822058 FRTOYPMUODMWEO-GMGAHUHHSA-N 810.135 8.930 50 1 KKGF CNC[C@@H]1C[C@H]2CC[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCC4=C(N)N[C@H](Cn5cc6cc[nH]c6c5)C=C4[C@H]4C=C(C=C(N)N4)CC[C@@H]4O[C@]42C(=O)O[C@@H]13 2356843033 NBCAKURIMWVVET-CZJPTNJISA-N 894.133 5.672 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356870783 XUQPJYDDPFBJLZ-SPHCRCJTSA-N 935.355 9.228 50 1 KKGF COC(=O)c1cc(C(=CCCCCCl)c2cc(Cl)c(OC)c(C(=O)OC)c2)cc(Cl)c1OC 1861933 DNLMSPBGXSFJIW-UHFFFAOYSA-N 515.817 6.425 50 1 KKGF CCC(=O)OC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@@H]1CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 44181397 HWQAADDMJATBGE-HGQUDFQVSA-N 514.791 7.565 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOP(C)(=O)OCC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49841282 VNFFHGRTQDPDMU-XVCDAZLWSA-N 684.804 7.124 50 1 KKGF COCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 58538517 BQRMSQJXAYZAON-IURFYJMPSA-N 593.500 5.067 50 1 KKGF CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2Cl)/C(=N\C(C)=O)[C@]12C(=O)C(Cl)=C(Cl)C(OC(C)=O)=C2C#N 71316254 QXURDQSUEBDQDH-ULWMBXCSSA-N 585.227 5.195 50 1 KKGF Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1[N+](=O)[O-] 73224163 NQYXTDOIKZSGRP-UXZSZYKQSA-N 559.090 5.828 50 1 KKGF COc1c(Cl)ccc(Cl)c1C(=O)NNC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 82191536 JUQJBAYEXFXAGW-UHFFFAOYSA-N 697.189 8.465 50 1 KKGF COc1ccc2nc(Cl)c([C@@H]3C(C#N)=C(N)N(Nc4ccc(F)cc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84711868 FCZWIFRLTMMIPN-XMMPIXPASA-N 517.992 5.799 50 1 KKGF C=C(C)[C@H]1CC[C@@](C)(I)[C@H]2CC[C@@](C)(O2)[C@@H](I)CC/C(COC(C)=O)=C/[C@@H]1O 95597321 DLFLAORLIMMSNP-UUIUMRQWSA-N 616.318 5.538 50 1 KKGF CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(=C[C@@H]5C[C@@H]1C(C)(C)O[C@@]4(C/C=C(/C)C=O)C5=O)C3=O)C=CC(C)(C)O2 100899908 COQAPWLZSHQTKA-HGBJNEFGSA-N 544.644 5.627 50 1 KKGF in-man C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103106074 ILHLSPYNKOOAAQ-OKGDRXONSA-N 524.624 5.468 50 1 KKGF CCOc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OCC 169328206 FZLFHGVTXAYQCV-UHFFFAOYSA-N 618.998 7.045 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169361846 BQZGIZZCEBSBQH-MSTZPBGYSA-N 870.484 5.539 50 1 KKGF Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@]3(OS(=O)(=O)C=C3N)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CCCO[P@@](=O)(O)C(=O)OCc2ccccc2)c1=O 170056889 DDYSDFLNIDNUQI-PUUBWIICSA-N 846.054 5.456 50 1 KKGF CCCCCC[C@]1(C[C@@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@H]1[C@@]24OO3 253689822 REXRRVDGTFBNLC-LPZBNACPSA-N 632.791 6.494 50 1 KKGF C=CCON=C(C[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 254096558 WGDOECSYODBCCA-JLPWTGTESA-N 631.807 6.436 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCCCC1)OO5 299816407 YEHJSRMXSFVFQI-KTZJJLRSSA-N 576.771 7.043 50 1 KKGF COC(C)(C)[C@H](Br)c1nc2cc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)cc2[nH]1 586971591 UDEFACNLEBYDSM-HSZRJFAPSA-N 537.366 5.706 50 1 KKGF CC(=O)N[C@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Br)cc1 586984619 HOIYCKIDGMEABP-CQSZACIVSA-N 563.184 7.165 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189764 FDQXNOFMPQUVAJ-RJCQRBOISA-N 577.766 6.300 50 1 KKGF Cc1ccc2c(ccc3nc([C@@H]4CCC[C@H]4[C@@H]4CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O4)[nH]c32)n1 587191831 YJYYMSFXUQDSMZ-PWMQRUGFSA-N 626.842 7.452 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323581 LESDBANRJKDYEW-YUBSYSMPSA-N 541.962 5.944 50 1 KKGF CCOC(=O)[C@H](c1nc(C)cs1)[C@]1([C@H](C)Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587377544 SADOBXXDIXMPMD-NBWLIZLVSA-N 503.979 5.368 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587543626 LDXAOKJXXRXFRM-OXHKVPJQSA-N 525.944 5.408 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587546753 XLLATVFZJFYELW-KQWIJFPOSA-N 714.215 5.516 50 1 KKGF O=C(N[C@@H](Cc1ccc(F)cc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)OCc1ccccc1 587573706 WUNLLBHDCDINRL-SWFBWHSRSA-N 561.993 6.008 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)c(C)c3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587672127 YDPSAYJOQDBSFK-KEFSCGHKSA-N 573.344 7.246 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Br)cc2)([C@@H](Cl)C(=O)c2ccc(Br)cc2)N1 587680559 OWFNAALTGBBFNV-AMIRBURQSA-N 630.577 7.381 50 1 KKGF CC[C@](C)(NC(=O)c1cc(Cl)c(C)c(Cl)c1)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587687868 IXIXFQUDBSIBJW-HVGVKYOCSA-N 550.727 6.770 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cccc(C(=O)[C@@H](Cl)C(=O)c2cccc(Br)c2)c1 587883178 ZOHKGEKLBJYRFA-XMMPIXPASA-N 577.689 6.139 50 1 KKGF O=C([C@@H]1Cc2ccccc2[C@H](c2cc(S(F)(F)(F)(F)F)ccc2Br)N1)C(F)(F)F 962772232 VQAXRGXTTKGMAK-LSDHHAIUSA-N 510.244 6.842 50 1 KKGF COc1cc(F)c([Si](C)(C)C)c([C@]2(CCCl)N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963184326 RBDAWLBKRBRMCB-DENIHFKCSA-N 538.441 5.523 50 1 KKGF CC1(C)CCC(C)(C)c2cc([C@@]3(CBr)c4ccccc4CCN3[C@H](C#N)c3ccccc3)ccc21 963188912 BJSKHIMTLQIIKS-PPTMTGTBSA-N 527.550 7.797 50 1 KKGF C[C@@H](Br)[C@@]1(c2ccc(C(C)(C)C)cc2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963191018 SGANTRLELSESBB-HGNXJFEXSA-N 628.563 7.865 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963221035 JTANPMUVNFAVCR-LUPQGNFSSA-N 785.560 6.136 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCl)(c2cc3c4c(c2)cc(O)n4CCC3)N1C(=O)c1ccccc1 963452689 ZNGOGDCAZKUCQP-VVFBEHOQSA-N 540.019 5.409 50 1 KKGF CC(=O)N1c2ccc([C@@]3(CCl)c4cccnc4CCN3C(=O)c3cc(C(=O)c4cccc(C(F)(F)F)c4)c[nH]3)cc2C[C@H]1C 963585376 USSWGJJGUFYKPT-WHUARKNTSA-N 621.059 6.138 50 1 KKGF COc1ccc(C(=O)[C@@H](Cl)[C@@]2(c3ccc(OC)cc3)c3cc(O)ccc3CCN2c2nc(Cl)nc3c2ncn3C(C)C)cc1 963915989 QOXZGSPCISMFNA-CYTLCNBWSA-N 632.548 6.580 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)C(=O)N(Cc3cn([C@H]4O[C@@H](COCc5ccccc5)[C@H](OCc5ccccc5)[C@@H]4OCc4ccccc4)nn3)[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772602403 CIGVKNDUUCKHMS-DBHOOAOGSA-N 764.920 6.757 50 1 KKGF CN(C)C(=O)c1cc2c[nH]c(=Nc3ccc(NC(=O)CCCCCCCN=C=S)cc3F)nc2n1C1CCCC1 1857594949 MKXLWDDUJVZEEW-UHFFFAOYSA-N 565.719 5.935 50 1 KKGF CCCCC[C@H](CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2)C[C@H](O)CO 2356299423 CSUCAVOISHUWQI-GQKXCLOSSA-N 950.277 8.706 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@@H]2O)c(O)c(OC)c1O 2356350245 YHKHYVBCLUKDQR-BOONZVDGSA-N 686.845 5.811 50 1 KKGF CCCCCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356364487 VEZOGQFECMNUIM-CDRQKEPQSA-N 668.026 7.083 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356366736 PIPSBIQKTMQCDO-WAAABODISA-N 909.262 7.377 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]([C@H](C)O)CSSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356374364 UOBZPJNIAIHBCP-XKGFKZLDSA-N 639.968 7.775 50 1 KKGF CC1=CC[C@H](Br)[C@]2(C)CC[C@@H](Br)[C@@]3(C)CC[C@@H](OC(=O)c4ccc(O)c(c4)C[C@H]12)C(C)(C)O3 2356474079 BVFIVKIJYQDATJ-UJTWLNNNSA-N 584.389 7.101 50 1 KKGF CC(=O)O[C@@H]1CC(C)(C)[C@]2(C#CC(C=O)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=C=C3C(C)(C)C[C@H](O)C[C@]3(C)O)O[C@]2(C)C1 2356669182 PRMVHLYTIYMENC-TXQFWDJRSA-N 654.888 7.915 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@H](OCO)CC3)C[C@@H]1[C@@H]1C=CC[C@H](C)C1 2356756610 UIXMXZGIILVLCY-ABPNWCGPSA-N 822.096 5.477 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@@]12Cc1cc5cc(C6(CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356813710 BTXFRAFCCVEMQO-CGMAJDKKSA-N 871.135 5.753 50 1 KKGF CNCC[C@]12O[C@@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4N=CC=C4C3)[nH]c(=N)c1CSSCC[C@]1(C)Oc3cc4oc(C)cc(=O)c4c(O)c3C[C@@H]1OC2=O 2356814731 CKTNMESDXWQQQU-ADZYDYNESA-N 823.998 5.197 50 1 KKGF Cc1ccc(P(=O)(c2ccc(C)cc2)[C@@H](NC(c2ccccc2)c2ccccc2)c2ccccc2)cc1 95568318 RFDOOXPSHPWXHP-UUWRZZSWSA-N 501.610 7.695 50 3 KKGF Cc1ccc(C(=O)N/N=C(\N=N\c2cccc([N+](=O)[O-])c2)c2ccc(N(CCC#N)CCC#N)cc2C)cc1 5582816 TYNQHLZRBIDFPV-VNJLCCJNSA-N 522.569 5.721 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccccc2F)cnc2c(C(F)(F)F)cccc12 49757005 YUFBRZZOIODFDR-TXOONPILSA-N 597.638 6.208 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Cl)cc1)SS/C(=N/c1ccc(Cl)cc1)OCCN1C(=O)c2ccccc2C1=O 49833359 OWFWAUVRJBSUIC-YEQLPCBTSA-N 719.628 7.676 50 1 KKGF O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N/N=C/c1cccc(OCc2csc(-c3ccccc3)n2)c1 66080497 HWNZQAYTSSQRRG-ROPCREHHSA-N 578.641 7.224 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@@H]3CCl 82181786 RXTOYKYVEKOFCF-VXKWHMMOSA-N 691.612 6.920 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1SSC[C@@]3(NC(=N)NCCO)CCC[C@H](C3)Oc3cc(ccc3O)C[C@H]12 85597161 UUXFDLVJUADWSM-KKBPMUQGSA-N 809.020 5.781 50 1 KKGF biogenic,in-vitro CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 95540049 LLGUZZFJXCSGJJ-XUSIVYQWSA-N 817.977 5.494 50 1 KKGF O=C1C=C(OCCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2ccccc21 95562217 RYBJFCBWPTXOHL-UHFFFAOYSA-N 519.601 6.521 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C(C)C)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]2(C)C(=O)O[C@@H]1C3 150345672 JLVBMOCDSQCHLZ-XLPBUWARSA-N 704.871 6.233 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@H]4C2)O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 150348614 GBBAFSKMUHKXSA-VAEOZTFKSA-N 929.307 9.001 50 1 KKGF biogenic,in-vitro COC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)C[C@H](O[Si](C)(C)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C 195219800 JSOVZYSSXJMBSV-BHSUFKTOSA-N 640.938 7.076 50 1 KKGF COc1ccc(-c2cc3cc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)CCC5)cc(C(C)(C)C)c3oc2=O)cc1OC 299821228 BWNCARZDFITIIQ-AREMUKBSSA-N 526.589 5.589 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(OO2)[C@@H](C)CCC[C@H]1C 299847863 UMAJEIMJMARHQF-IWANZCNZSA-N 662.861 7.077 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc4nc5ccccc5nc4cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056835 RZZJCYNCAXFYDV-WOJGMQOQSA-N 509.400 7.438 50 1 KKGF COc1ccc(C)cc1NCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587228462 DCGXBLLKFIJRDX-UHFFFAOYSA-N 500.331 7.345 50 1 KKGF O=C1C[C@](CBr)(c2cc(-c3ccc(Cl)cc3Cl)no2)Oc2c1ccc1c2CCCC1 587497542 CRSZGPQMIPVEQW-QHCPKHFHSA-N 507.211 6.783 50 1 KKGF COc1ccc([C@H](Cl)[C@]2(c3ccc(OC)cc3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587541321 AVXNJVALNJNCHS-OWPQXHQJSA-N 502.950 6.247 50 1 KKGF C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@]1(CCl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544224 MQRBKWXPWRFWDY-HXJHFTRJSA-N 733.641 7.406 50 1 KKGF Cc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587616951 HXUMTFZWAYBSLI-DHIFEGFHSA-N 560.071 6.724 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CBr)(c2cccc([N+](=O)[O-])c2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 962403000 KMQLMZYWHOCGND-DLFZDVPBSA-N 632.442 6.028 50 1 KKGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3ccc(F)c(C(F)(F)F)c3F)N12 962666014 MBSQHIULEJKYFB-FCHUYYIVSA-N 529.303 5.269 50 1 KKGF O=C(CCl)NCc1cc([C@@]2(c3ccccc3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1O 962706667 HDAGLJQMQDQDSS-VCRWUWJOSA-N 765.257 6.656 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](c2ccccc2)(c2ccc(B(O)O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963083433 WRUASWWOSCCNNK-KAFYBFJGSA-N 781.563 6.615 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSSC3 2356292739 WISRFKOVVQERKG-ISWANZTPSA-N 971.295 10.282 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356351211 SDHWUTZNWJGSLY-YSJHTRRRSA-N 799.106 5.824 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(OC4CCC(CNC5CCCCC5)CC4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356364709 WVDOCPJINAFKLC-WZVXLEQYSA-N 796.058 5.352 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSSCC[C@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)cc(OC2CCCCC2)c1O 2356368822 AITCVLAQXITDRU-QUHIANPJSA-N 708.939 8.275 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OC)c3c(c(CO)c2O1)O[C@@H]([C@@](C)(O)C1CCN(CCCOC)CC1)C3 2356388549 JTFCALOVYPLEOP-QODZTSQUSA-N 742.866 5.171 50 1 KKGF C[C@@]12CCSS[C@@H]3CC[C@H]4c5cccc(c5)CSSC[C@@H](CC5=C6C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]62CC5=O)C[C@]31NC(=N)NC[C@@H]41 2356777683 BNYHKIVHSSVGSC-KLAMDGFZSA-N 714.101 7.175 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@H]2O[C@@]24CCCC[C@@H]3[C@H]1OC4=O 2356821681 GDLASVWKZHCBLF-MUPHSMFVSA-N 825.026 5.980 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356829942 JCIPUFWUZBFOCZ-UNWMQSNDSA-N 915.188 5.361 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@@H]([C@H](CO)Cc4ccccc4)C#C[C@@H]3C=C12 2356855205 RAMYLEPIGAOZCI-BIEYFRAUSA-N 910.256 6.776 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)CSSCNC3=CC(=CCN3)[C@H]2CCCO)CCCC1 2356865328 WBJDMNHTJDKGAD-XFXMSDGKSA-N 690.972 7.596 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(Cl)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873540 VNIYDFGJWDKRPJ-DNQXCXABSA-N 661.796 6.774 50 1 KKGF C=C(C)[C@H](C(=O)OC(C)(C)C)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)[C@H]1SSc1nc2ccccc2s1 29311450 YHWBRLJBNYBQQP-NBJIZQJTSA-N 555.703 6.483 50 1 KKGF CCCCCCNC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145564 RICPLIIZZUSKEL-SRSZBKANSA-N 574.850 7.902 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@H](CC[C@H](C)CCSS[C@H]1C#CCc5c(cc(OC6CCCCC6)c(O)c5OC)[C@H](O2)[C@H](O)[C@H]31)C4 85567782 LVLRSWOHMDJIRP-LYQKHRGHSA-N 714.946 8.841 50 1 KKGF biogenic,in-vitro CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3Cc3ccnc(c3)NCSS[C@@H](NC[C@H](C)O)[C@H](C)C/C=C/5OC6=O)[C@@H]42)CCCC1 85571150 BIVDNPGHZCPBDL-SEYQITKASA-N 730.009 7.983 50 1 KKGF biogenic,in-vitro O=C(CCC(=O)Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@@H](O)C2)NNC(=O)CCC(=O)Nc1cccc2c1C[C@@H](N1CCC(c3ccccc3)CC1)[C@H](O)C2 95607072 RPKDUSNTVQLLLU-OVBCPKELSA-N 841.066 5.387 50 1 KKGF CCO[C@H]1[C@@H]2C[C@@H]3C(C)(C)O[C@@](C/C=C(/C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 103841275 IKFKEJSONUWRCD-FINVDWNNSA-N 590.713 5.722 50 1 KKGF in-man CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@@]5(C)[C@@H](CC[C@@H]5[C@@H](C)CCC(=O)O)[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 137765386 SDIORNYPOYNSPZ-JQPGYGKFSA-N 648.834 7.132 50 1 KKGF CC(C)(C)[Si](C)(C)OCCc1ccccc1[C@H]1C[C@]2(S(=O)(=O)c3ccccc3)ON1C[C@@H]2S(=O)(=O)c1ccccc1 195478435 SWWCJTUVSXJESY-ATNBEAFSSA-N 613.874 5.956 50 1 KKGF COc1ccc(-c2cc3cc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc(C(C)C)c3oc2=O)cc1 299835049 LNZBDXTWOYIZKI-SANMLTNESA-N 510.590 6.043 50 1 KKGF CC(C)=CCC[C@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 586902849 MPVWLYRPMZXWEZ-CDMDONCRSA-N 733.770 12.923 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056378 MZIDMWIRXLEXIN-XSFVSMFZSA-N 515.469 8.493 50 1 KKGF FC(Br)(Br)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587086653 FYNDWUXKOLULBD-UHFFFAOYSA-N 512.893 6.852 50 1 KKGF O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)OCC1c2ccccc2-c2ccccc21 587138482 KIHUSTGAQZHMFV-MHZLTWQESA-N 639.568 9.460 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190896 UOSCPUIFNHOBTC-JKWMFXSVSA-N 659.916 6.347 50 1 KKGF O=[N+]([O-])c1cccc(-n2cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)nn2)c1 587268922 DQNIMPKHRBKNFF-UHFFFAOYSA-N 511.230 6.139 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587328524 JLJWNMBROCRXJR-IFMALSPDSA-N 574.162 6.962 50 1 KKGF O=C(N[C@@H](Cc1ccccc1)[C@]1(CCl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1)OCc1ccccc1 587329053 WUEPQOGRLPSYHK-OLWNVYNHSA-N 560.021 6.406 50 1 KKGF Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587616952 HXUMTFZWAYBSLI-DLFZDVPBSA-N 560.071 6.724 50 1 KKGF Cc1cc([C@]2([C@@H](C)Cl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Cl)cc1 587685674 ARWYBDPZTMPFDR-LBCXTIRYSA-N 510.278 7.054 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 587764201 CEYPLXDEIKWNIV-BXPSMUDDSA-N 510.495 6.961 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](Oc5ccc(O)n5-c5ccnc(CCl)n5)CC[C@]4(C)[C@H]3CC[C@@]21C 587940110 MBPYNBBLBSXRNI-LCXBLKGUSA-N 594.284 9.501 50 1 KKGF N#CC1=C(N)OC(c2ccc(-n3c(-c4ccco4)nc4ccccc4c3=O)cc2)=C[C@@H]1c1ccc(Cl)cc1 653912907 UFIJFJHEDJWTCS-HSZRJFAPSA-N 518.960 6.148 50 1 KKGF CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1C[C@@H](Br)[C@@]21c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962574143 PFVBODUOBFTSBM-YAGRKEEMSA-N 761.713 8.392 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc3c(c2)CCCC3)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963085806 HUNXWBHDCCFAKG-SLPFEWDZSA-N 642.637 8.507 50 1 KKGF CCCCOc1ccc(B(O)O)cc1[C@H]1c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963089243 WSEHPEFOWWLGJH-NPTUGSORSA-N 777.572 6.591 50 1 KKGF COc1nc(O)c([C@@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(O)c1OC 963185049 KAQNETZOZKRPGC-XSCADWBESA-N 615.860 5.533 50 1 KKGF COc1cc2c(cc1OC)[C@H](c1ccc(Br)c(CBr)c1F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963796137 MPEAMIQZCWAKPW-SANMLTNESA-N 630.308 6.339 50 1 KKGF Cc1cccc2c1[C@](c1ccccc1)(c1cc(Cl)ccc1NC(=O)CI)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963905530 YEVQQFZVWQEUSV-IPBJYNAHSA-N 674.963 6.950 50 1 KKGF N[P@](=O)(OCCCCOc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1)N(CCCl)CCCl 1772633264 NMKALLBHRSIRRM-QLKFWGTOSA-N 670.937 7.767 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccc(C(F)(F)F)cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857587246 SMEIUPBAGGXEBI-XGTCLXJHSA-N 609.630 6.309 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@H](NC(=N)N)CCCC3=C4C[C@H]1CC[C@@H](CCCO)[C@]42CC3=O 2356350354 AQTFHYRYBXDDQP-FWOZNBHOSA-N 519.821 5.961 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CCCC5(CCCC5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@@H]2O 2356363637 KZIOCCRFTCBLOS-HQENBBLSSA-N 916.209 5.967 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@@H]4[C@@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356400640 FKAWGRZMQNXGSM-DCGKDWEUSA-N 731.132 5.917 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356516193 OVTNXNNDQDIEMZ-PHORFNFWSA-N 843.203 7.239 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)[C@H](O)CCCCC)CCC=C(C)C 2356715374 IOGKKHFUMFJYLW-NBAQAYBYSA-N 623.919 6.531 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](CC[C@@H]3[C@H](OC(C)=O)C[C@@H](c4cc(O)c(O)c(OCCc5cccnc5)c4)O[C@@H]13)SSC2 2356745835 ZZIQLVGNNFRAHC-UHMPWESZSA-N 778.994 6.418 50 1 KKGF CCCOc1c2c(cc3c1C(=C1CCC(=O)[C@H](c4ccc5[nH]ccc5c4)C1)C(C=O)=C(C(=O)OCC)O3)O[C@H](C(C)(C)O)C2 2356770035 UUIFDDHAGRNYFG-ZTOMLWHTSA-N 599.680 5.730 50 1 KKGF CC(=O)O[C@H](C[C@H](OC(=O)[C@]12CCCC[C@@H]1CCC(=O)N2)C1([C@@H]2CC[C@@H]3c4c2ccc(O)c4OC[C@@H]3CCO)CCNCC1)[C@@H]1CC[C@H](O)[C@@H](NCCCC(C)C)CSSC[C@@](C)(O)CC1 2356779936 ZKMOOGNKSHBLJS-BZJAAXKUSA-N 960.354 7.265 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](C3=CCN=C3)[C@H](C[C@@H]3C=CC=C[C@@H]3C)[C@@H](OC(C)=O)CC(=O)C2)ccc1O 2356851004 QCWWXAKWTVFDPT-JWUSWRNSSA-N 555.762 6.172 50 1 KKGF COc1cc2c(cc1OCCCCCC(=O)N1C[C@H](CCl)c3c1cc(O)c1ccccc31)N=C[C@@H]1CCCN1C2=O 26271346 ZKJWSGPAWIGGIX-SFTDATJTSA-N 576.093 6.183 50 1 KKGF CC1(C)CC[C@]2(C(=O)Nc3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145592 BLLUCPZVQMWQFI-SRSZBKANSA-N 566.786 7.845 50 1 KKGF Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccc(NC(=O)N/N=C/c2ccc(O)cc2)cc1 84596821 ZBFWYNOKBLFQGV-RPPGKUMJSA-N 571.229 5.080 50 1 KKGF C/C(=C(\CCO)SSCc1ccccc1)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCO)SSCc1ccccc1 84670725 VOPSAINPLACGDM-ZHTVLWRQSA-N 733.144 10.195 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C1(C/C=C(\C)CN[C@H](C)CCOC)CCCC1 85544301 VJTCLUVVYOVFJI-VIQURDMVSA-N 685.003 5.725 50 1 KKGF biogenic,in-vitro COc1cc2c(cc1O)CSSC[C@@H]1c3c(ccc4c3O[C@H]2[C@H]4COC(C)=O)-c2c(OC)cc(O)cc2[C@H]1CCO 85568433 WBXVEHWFZSJIOW-TZKUZDJLSA-N 596.723 6.021 50 1 KKGF biogenic,in-vitro CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CN4C(=O)C=CC4=O)c4ccnc(c4)NCSS[C@H](O)[C@H](C4CCCCC4)C/C=C/5OC6=O)[C@@H]32)CCCC1 85571137 BDCUIUNTQSAWQP-RACFAYAKSA-N 824.078 8.641 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1O)CN1C[C@H](CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O 85627416 VUBROGPTPRHSHX-KPPWECNSSA-N 714.995 5.821 50 1 KKGF biogenic,in-vitro N#CC1=C(N)N(c2ccc(F)c(F)c2)C2=C(C(=O)CCC2)[C@H]1c1cc2cc(Cl)ccc2nc1Oc1ccc(C#N)cc1 96907823 NRYYSWKOXQEAHZ-LJAQVGFWSA-N 579.994 7.135 50 1 KKGF CC1(C)CC[C@@]23CC[C@]4(C)[C@](OC2=O)([C@@H](Cl)C[C@@H]2[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]24C)[C@@H]3C1 103257629 VWHFAOUSGXIREC-BIJMGBHNSA-N 507.155 6.096 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 148852623 QBWDAFICRCELKK-VKIDYWOHSA-N 504.594 5.496 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OCCC(C)C)c1O 150342904 RPXLSRODNNMOTA-GFELWAQVSA-N 726.954 7.522 50 1 KKGF biogenic,in-vitro CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1ccc(Cl)cc1)C(=O)Nc1ccc(C)cc1-2 299812899 LFRGETSULYAQKG-QGZVFWFLSA-N 541.699 7.523 50 1 KKGF O=C(N/N=C/c1ccc(OCc2csc(Cc3ccc4c(c3)OCO4)n2)cc1O)Nc1nc2ccc(N3CCOCC3)cc2s1 299833656 ZCAQEVIITQJIIM-VWJSQJICSA-N 644.735 5.349 50 1 KKGF COc1ccc(NS(=O)(=O)c2ccc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)cc1 587057904 WMOUIGGMZNGNRJ-XSFVSMFZSA-N 592.508 7.151 50 1 KKGF CCCc1cc(=O)oc2cc(O[C@H](C)c3nc4ccc(S(F)(F)(F)(F)F)cc4[nH]3)c(Cl)cc12 587077919 CAOJALUWTARVTM-LLVKDONJSA-N 508.896 8.073 50 1 KKGF NNC(=O)c1ccc2nc([C@H](Cc3cc(F)c(F)c(F)c3)NC(=O)OCC3c4ccccc4-c4ccccc43)[nH]c2c1 587139144 XSIBGCMEFAMNMU-MHZLTWQESA-N 571.559 5.406 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(C)(C)C 587205342 PUWHVOQLEHLBNB-ZDUSSCGKSA-N 522.378 7.465 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1CCc1cccs1 587377725 SQBVMRCTSFBFHL-IXCJQBJRSA-N 510.030 6.747 50 1 KKGF CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@@H]([C@@H]2C1)[C@]1(C=C2[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962657413 BQHLDFYMHQXAFL-SXYVFPQRSA-N 781.001 8.703 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C(C)(C)C)cc1)([C@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678992 NBZSHUZXTLRBOH-ADSBAMQRSA-N 560.056 7.590 50 1 KKGF FC(F)(F)c1cccc2c1[C@@](CCCCCCl)(c1ccc(Cl)c(Cl)c1)NCC21CCOCC1 962963519 YWBFKBYRRJVYOE-XMMPIXPASA-N 520.850 7.706 50 1 KKGF CC(C)(C)c1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CCCC4)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)cc1 963580635 KXVSQLMUCOJJST-FAIXQHPJSA-N 759.294 9.065 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5cccc(Cl)c5)CC[C@]4(C)[C@H]3CC[C@]12C 1772630518 BJWIPOMEOBTTJP-SRCKYBTLSA-N 592.180 6.626 50 1 KKGF O=C(N(Nc1ccccc1)c1ccccc1)C(O)(NNc1ccccc1)C(=O)N(Nc1ccccc1)c1ccccc1 2356284041 LRJUJPFLLOFIAP-UHFFFAOYSA-N 558.642 5.412 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@]2(c3cc(O)cc(C4(NC)CCCC4)c3)C=C[C@@H]3SSC[C@](C)(O)CNCOc4c(O)ccc(c43)C2)ccc(O)c1OC 2356291952 IDLZKYJYKRPZQL-YMVTULGPSA-N 998.321 10.020 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCCC[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356321415 LYNJBWAXBDTPTG-YSOMZAATSA-N 880.142 6.900 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSS[C@H]2CC[C@H]1C[C@@H]2O)c1ccc(NCC(C)=O)c(CO)c1 2356354810 AYTRAUIWGRWFQG-RHQBYCCTSA-N 760.975 7.040 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356362781 DVRJWEBPVJJDRP-XPGQZNBBSA-N 741.026 5.417 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356375549 GWJBEOPSMZHVMQ-LFZPSGEBSA-N 779.082 7.350 50 1 KKGF CCCCCCCCC=CCCCCCCCCCC(=O)OCC(=CC#N)COC(=O)CCCCCCCCCC=CCCCCCCCC 2356582399 HBVOYIARCFOVMH-UHFFFAOYSA-N 698.130 14.158 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356620220 KIBJUROKXFXBRB-USMURXLXSA-N 883.224 6.843 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@@H](C)[C@@H]3CCC(=O)OC)C(CC)=C1C 2356811342 BNJIWSZTEYMVAX-UWJYYQICSA-N 576.653 5.559 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@@H](O)[C@H]3C[C@@H](C=C[C@H]1C3)C2 2356827004 HMOHJDMKLDBFHO-KUVUYRJASA-N 800.100 5.794 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](NC[C@H](C)O)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356828062 IRWPIYKCKOBIQT-KZZVKFSWSA-N 941.270 7.604 50 1 KKGF O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2cc(F)ccc2[nH]1 1489470 WNOCWZGZYPOORN-SFHVURJKSA-N 552.993 6.882 50 1 KKGF COc1cc(S(=O)(=O)Nc2ccc(-c3csc(N4C(=O)[C@H](Cl)[C@H]4c4ccccc4)n3)cc2)ccc1Cl 4618468 VPDPUQBQBNFYPF-DHIUTWEWSA-N 560.484 5.968 50 1 KKGF CN(C)NC(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1ccc(F)c(F)c1 28903096 GJYAHGCCGZMMCK-UHFFFAOYSA-N 548.804 7.653 50 1 KKGF CCCCCCNC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145563 RICPLIIZZUSKEL-QGQQBCCHSA-N 574.850 7.902 50 1 KKGF ClCCN(CCCl)CCOc1ccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)cc1 49650379 RBYCBLBYFQMPHN-UHFFFAOYSA-N 638.467 7.448 50 1 KKGF CCO[P@@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@](=O)(F)OCC)cc(OC)c2O)c1 49881434 GWTHZRGNGFZEEC-ARRVFDMQSA-N 518.386 7.122 50 1 KKGF O=C(c1cccc(C(F)(F)F)c1)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br 72178092 GEWQKOLHRSUXGF-CYYJNZCTSA-N 617.132 7.393 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@H](CC2)c2cnc(N)c(c2)[C@@H]([C@]23CC4(CCCC4)C[C@@H]2C=Cc2c[nH]c[n+]23)SSC1 85596422 NQWVMJUNEHSFFQ-ARQBMRMISA-O 726.001 8.466 50 1 KKGF biogenic,in-vitro CCCCC[C@@]1([C@H]2C[C@@H](OC(C)=O)C[C@@H](c3cc(O)c(O)c(OCCc4cccnc4)c3)O2)CSSC[C@@]2(NC(=N)NC)CCC[C@@H](C2)Oc2cc(ccc2O)C1 85597207 CRAVIEIANLOQGF-WDYYILKISA-N 823.091 7.980 50 1 KKGF biogenic,in-vitro O=C(COc1ccc(OCC(=O)NNC2=N[C@H](c3cc(F)c(Cl)cc3Cl)CS2)cc1Cl)NNC1=N[C@@H](c2cc(F)c(Cl)cc2Cl)CS1 95551295 WDEMIGLEHMFABR-XZOQPEGZSA-N 784.909 6.919 50 1 KKGF COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907837 CTAKNIZDMBVMSS-HKBQPEDESA-N 603.629 7.126 50 1 KKGF C[S@](=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@H](OCCCl)C(Cl)(Cl)Cl 103220389 RPEVQASCBSXLTQ-ORCIVFGKSA-N 593.069 6.171 50 1 KKGF CCC(=O)N1CCC[C@H]([C@@](C)(O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]5(C)[C@H]4CC[C@@]32C)C1 169851904 IZSGUIXILFQTFT-IVTNHMPGSA-N 573.979 8.435 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@](Cc1ccccc1)(O[Si](C)(C)C(C)(C)C)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(Br)cc1)C(C)(C)C 195376692 LIPFOEZBIBFSHB-UATCYUFCSA-N 823.946 7.611 50 1 KKGF O=C(NCCSSCCNC(=O)/C(Cc1cc(Cl)cc(Cl)c1)=N/O)/C(Cc1cc(Cl)cc(Cl)c1)=N\O 299859498 IAIQYBUQXRGJIB-GOLAWLNDSA-N 612.388 5.360 50 1 KKGF CC1(C)CC[C@]2(CC(=O)C(C)(C)C)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 473244397 JVOADWNONSFZQK-ONLUTREGSA-N 545.808 8.211 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587058399 YSLKPRIRETZRTM-DHDCSXOGSA-N 507.368 7.953 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(-n4cccn4)c(F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190694 MTLZCHKLPNLPQG-NWZNCKEUSA-N 645.820 6.920 50 1 KKGF CC(C)(C)OC(=O)N[C@H](CCC(=O)OCc1ccccc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587221190 VOBAUVPBNSGXJT-QGZVFWFLSA-N 614.431 8.072 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](CC(=O)O)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)O 587257976 VCCVRFZZXBESCG-WTEZFPHBSA-N 982.898 8.658 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)[C@H]1c1ccc(F)cc1 587323747 SWMRSBDWNSPTEF-BHBYDHKZSA-N 543.388 7.475 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cccc(Br)c2)[C@@H]1c1ccc(F)cc1 587323799 UKTKUFRVJLDAFZ-IRLDBZIGSA-N 506.165 5.943 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCCO2 587327492 PVAUNTSIZVWENW-MFMCTBQISA-N 533.983 6.203 50 1 KKGF CC(C)(C)OC(=O)N1CCC[C@H]([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587537987 MFALHJQCAGHFKF-BLRRAGTOSA-N 518.404 5.135 50 1 KKGF COc1ccc2c(c1)[C@@](CBr)(c1c(-c3ccc(Br)cc3)noc1C)N(C(C)C)CC2 962090539 LPDNNOXZEAZXPF-DEOSSOPVSA-N 534.292 6.326 50 1 KKGF COc1ccc2c(c1)[C@H](c1ccc(N3CC[C@@H](CO[Si](C)(C)C(C)(C)C)C3)nc1F)N(C(C)C)CC2 962094076 VUCWDMPXKTUNES-ZBLYBZFDSA-N 513.774 6.433 50 1 KKGF CCOc1ccc([C@]2(C)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1CCl 963064469 AZXGSFNTJYOPNF-HDIIBLALSA-N 768.199 9.044 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2)C2=C(CC(C)(C)C[C@@]23N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc23)N1 963172526 DBJHACNXXXZBEP-FUCNBRFFSA-N 542.001 6.412 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCCCCl)(c1ccccc1C(F)(F)F)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963780355 YELUGPQHEKDBAY-WJOKGBTCSA-N 599.049 7.124 50 1 KKGF COC(=O)c1coc([C@H](Cc2ccccc2)n2cc(C[C@@H]3C[C@H](CCc4ccccc4)C[C@H](O[Si](C)(C)C(C)(C)C)C3)nn2)n1 1857534634 OVCGHHIQPXUZIH-QMUZHLSXSA-N 628.890 7.867 50 1 KKGF COc1cc2nccc(Oc3ccc(NC(=O)N/N=C/c4cn(-c5ccccc5Cl)nn4)cc3)c2cc1OC 1857578985 FOGOAOVZHAXIRM-FJEPWZHXSA-N 543.971 5.434 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(Cl)c(Cl)c4)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccc(Cl)c(Cl)c4)cc23)cc1 1857647788 JFSZGXCQQFSGSD-UHFFFAOYSA-N 860.680 10.014 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356355833 HONPUKPBSXXFMA-LNASIVBVSA-N 970.345 6.704 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=C[C@H]3C=C[C@@]4(CCC[C@@H]5[C@H](O)C[C@@H]6CCC[C@@H]6CSSC[C@@H]3N54)[C@H]2[C@@H]1C 2356404660 TZMJIDYEPWGRRX-QDENGNLISA-N 557.778 5.565 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@@H](CC)C1)C4 2356705881 HRNCZGWSJWKJRO-BAANKGTJSA-N 841.011 5.874 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@H](O)[C@H]64)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356728809 VNCSOJHQVFAUMC-SDGQZCLISA-N 904.297 6.939 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OC)C(=C2C[C@H](CO)C(=O)[C@@H](c4ccc5[nH]ccc5c4)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356775544 MZGSZNLRXZXROF-WLINIPROSA-N 701.813 5.611 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C3CC[C@@H]4CCCC[C@]45C(=O)NC[C@H]5[C@@H]3C1)O2 2356809919 AUCHMNYEACTCCV-OUVUAYMCSA-N 960.090 5.592 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNC3=CC(=CCN3)[C@@H]2CCCO)CCCC1 2356814804 CLJWENGJUIOFCH-ZLUKFQCZSA-N 706.971 6.914 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356855474 RDWVKMRXFATWGM-ISVQENNVSA-N 823.139 6.228 50 1 KKGF O=C(CP(=O)(c1ccccc1)c1ccccc1)c1cccc(C(=O)CP(=O)(c2ccccc2)c2ccccc2)c1 1637764 SAQWUXJJGWMOLG-UHFFFAOYSA-N 562.542 6.080 50 1 KKGF CC(C)(C)c1ccc(Oc2cccc([C@@H]3S[C@H](CC(=O)NNc4ccccc4)C(=O)N3CC(=O)O)c2)cc1 27769113 SBKRXRBSYULDPT-YWEHKCAJSA-N 533.650 5.337 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSSCC[C@@H](C)CC[C@@H](c3cc(O)ccc3-4)[C@@H]5CO)[C@H]2O)cc(OC)c1O 85567747 JTGBKXDBDBFEJL-QLTWMDARSA-N 670.846 6.106 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cc(O)cc(C2(NC)CCCC2)c1 85597359 ODKHFZHQIQVDQW-TUYDZOLPSA-N 730.993 8.881 50 1 KKGF biogenic,in-vitro CC(C)COc1ccc2c(=O)cc([C@H](C)Br)oc2c1COC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 169325183 LXWSSRSKGLKSCQ-ZQNCRGTDSA-N 535.431 5.449 50 1 KKGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2ccccc2)[C@H](c2ccccc2)S3)s1 169720165 WELDRZYKNZORPW-VWLOTQADSA-N 542.089 6.950 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 194986326 PRMIBYNRLGYONF-USDFPPRBSA-N 516.927 9.389 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)C[C@H]2O 205492574 SMTUEBRNTOXQAZ-XXRYFQJFSA-N 601.001 9.322 50 1 KKGF CCCCCCCCCCC/C=C\CCCC(=O)OO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 238755947 GMOLPOGBPMOLSJ-WWCLNSCMSA-N 653.089 13.519 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](CI)C4=C(CC[C@H](O)C4)[C@@H]3CC[C@]12C 253634929 QJHZPCLORSPENH-SHUUZBDZSA-N 512.560 7.804 50 1 KKGF C[C@@H]1CC[C@H]2[C@](Cc3ccc(F)cc3)(C[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253693001 XKKWJFZWAWKYNA-CJVUFPJLSA-N 656.744 5.906 50 1 KKGF N#C/C(=C\c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)C(=O)c1c[nH]c2ccccc12 299831156 XZBUMRJFHPEXIX-WOJGMQOQSA-N 514.810 7.377 50 1 KKGF C=C(C=O)CCC[C@@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C 299848078 HDTJUAYSKZYAMY-SVORTFJXSA-N 702.926 5.285 50 1 KKGF O=C1N(Cc2cccc3ccccc23)[C@H]([C@H](Br)Cc2ccccc2)[C@@H](O)[C@@H](Cc2ccccc2)N1Cc1cccc2ccccc12 299848181 ULCDVWDXJDWVKK-FJQXUWRQSA-N 669.663 8.778 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(Cl)ccc(Br)c1F 587558686 SVFYYVBBUXPGQL-UTKZUKDTSA-N 542.582 6.199 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(/C(C#N)=C(/c2ccc(F)cc2)N2CCCCC2)N1 587728974 BMRIZMGBTLSBLA-SVUGYVJHSA-N 520.849 6.116 50 1 KKGF COc1cccc([C@H]2C[C@@H](C(=O)NCCSSCCN(C)C)CN(C(=O)c3cc(Cl)c(O)c(Cl)c3)C2)c1 618017743 XWIVZYYGJHPDHO-VQTJNVASSA-N 586.607 5.013 50 1 KKGF CC1=C(C(=O)CCl)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=C[C@]5(C=C[C@@]43C)c3cccc(F)c3CCN5[C@H]3CCSC3)[C@@H]2C1 962705155 JNQBJYKZGLNQJN-JSCHXXKQSA-N 600.215 6.921 50 1 KKGF CC1=C(C#N)[C@H](c2ccc(F)cc2)C2=C(CC(C)(C)C[C@]23c2cccc(F)c2CCN3[C@@H]2CCSC2)N1 962710386 PSLPTXOAZSILQC-KKECWDTKSA-N 517.689 6.782 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(C(F)(F)F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963082786 BUSHTKOQFCXHIO-LMSSTIIKSA-N 580.444 7.143 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CBr)(c2coc3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963367182 NFIWURMRHYIANQ-ZJJOJAIXSA-N 638.514 7.126 50 1 KKGF Cc1ccccc1-n1nncc1CN1C(=O)[C@]2(C(C#N)=C(N)Oc3c2c2nc4ccccc4nc2c2ccccc32)c2ccccc21 1772636906 JUFNVODXQYFSSK-QNGWXLTQSA-N 612.653 5.745 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCC4(C[C@H](O)CO)CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356350917 MJRCPVFEGZWOQX-ZCWREALNSA-N 934.234 8.070 50 1 KKGF C=C(O[C@@H]1[C@H](C)C[C@]2(OOCC)C(=O)C(C)=C[C@@H]3[C@H](CC[C@]4(CO4)[C@@H](OOCC)[C@@H]12)C3(C)C)c1ccccc1 2356358207 YFRWOSJDDKRGNG-RONNFZQYSA-N 540.697 6.093 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356367984 HTDCFRQRHAKMBM-UHPUTENTSA-N 827.160 6.460 50 1 KKGF COC(=O)N[C@H](C=Cc1ccccc1)[C@]1(C)C(=O)O[C@@H](CCc2ccccc2)C[C@@H]1O[Si](C)(C)C(C)(C)C 2356484265 ORKKTZYRWZJLMK-ALBQUZEBSA-N 537.773 6.769 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@]2(C)O[C@@H]3C[C@@H]4O[C@@H]5C[C@]6(C)O[C@]7(C)CC[C@@H]8O[C@@H]9C[C@]%10(C)O[C@@H]%11C(C)=CC(=O)O[C@@H]%11C[C@@H]%10O[C@@H]9C[C@H](C)[C@@H]8O[C@@H]7C[C@@H]6O[C@@H]5CC=C[C@@H]4O[C@@H]3C[C@H]2O1 2356695780 WTXGTTBOKVQBGS-GSCHHFNDSA-N 881.069 5.082 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@]54C)[C@@]21O 2356773514 BGBRALBNNYSAKD-KHINVNPOSA-N 815.199 8.506 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@]8(C)O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@H]3C[C@H]2O1 2356800435 QBKXNFFVHDOYEC-UYZMYGPSSA-N 881.113 6.341 50 1 KKGF CNCC[C@]12O[C@H]1CCc1cc(N)nc(c1)-c1cc(CN3C=C4N=CC=C4C3)[nH]c(=N)c1CSS[C@H]1C=C[C@@]3(Cc4c(cc5oc(C)cc(=O)c5c4O)O[C@]3(C)C1)OC2=O 2356805894 AEFOTWQYZYEARG-KSFCTPLZSA-N 848.020 5.506 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)[C@H]4CCC[C@]([C@@H](C)Cc5ccccc5)(C#C[C@@H]3C=C12)CC4 2356810160 AWXFLAXBQFPQKU-JNTNLKHESA-N 920.295 8.194 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@H]3[C@H](O)[C@@H](CCC1)CC2 2356818933 DXPPPRVCSMNHTP-MEWSABBNSA-N 802.116 6.089 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]56C[C@@H]7CSS[C@@H]8CCC[C@H](O)[C@@H]8Nc8cccc(c8)C[C@@H]7[C@H]5C=CC[C@](C4)([C@@]36C)[C@@]12O 2356876033 ZHFYTBJLENYPMG-LCGOONTRSA-N 621.909 6.288 50 1 KKGF CCCCCCCCCCCCN(C(=O)c1cccc(CCl)c1)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 49780222 OSMDVRPOEOJMJX-FWAKAURJSA-N 625.382 10.021 50 1 KKGF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)OCCc1ccc(NC(=O)CBr)cc1 56727912 VIJCKBVNOPJBOC-SVPADUAOSA-N 519.867 5.026 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 58533197 IGVIVGSXJUDQEG-NSXGOKPNSA-N 521.050 5.068 50 1 KKGF CN(C)c1ccc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)cc1 150588039 MBARHZREGNNHPN-PUDHBBIYSA-N 773.946 9.551 50 1 KKGF COc1cc(Cc2ccc(/C(C=O)=C3/NCCc4cc(OC)c(OC)cc43)c(OC)c2OC)c(C[C@H]2c3cc(OC)c(OC)c(OC)c3CCN2C)cc1OC 153917889 PMXIOUCPVGLKFT-IHQYELHMSA-N 768.904 6.339 50 1 KKGF O=C(CI)Nc1cc(OCc2ccccc2)c2c(c1)C(=O)c1cccc(OCc3ccccc3)c1C2=O 206577590 ZFPGMRDWBXYKGL-UHFFFAOYSA-N 603.412 5.994 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3C[C@H](CI)C4=C(CC[C@H](O)C4)[C@@H]3CC[C@]12C 253634923 QJHZPCLORSPENH-ATQWECITSA-N 512.560 7.804 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COC(=O)c3ccc(Cl)nc3Cl)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299826052 FHIKSAMQQHCDKV-PPOGDEGJSA-N 780.783 8.443 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)NNC(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 299886825 XVMMCUIYMJRLTO-SVQNNWHOSA-N 745.058 9.138 50 1 KKGF O=C(O)c1cccc2cccc(-c3cccc4cccc(-c5nc6ccc(S(F)(F)(F)(F)F)cc6[nH]5)c34)c12 586883555 KNGZWVMMEFQDGP-UHFFFAOYSA-N 540.513 9.559 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c(C)n1-c1cccc(Cl)c1Cl 587057056 TWFLIUMPVSAITJ-UNOMPAQXSA-N 530.419 6.401 50 1 KKGF Cc1nn(Cc2ccccc2-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(C)c1[N+](=O)[O-] 587267835 SDIHJVSKBVEGDV-UHFFFAOYSA-N 552.323 7.420 50 1 KKGF CN1C(=O)CCc2cc([C@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)ccc21 587321047 HXVKMVPGOJJAIF-AHWVRZQESA-N 510.359 5.090 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1c(F)ccc(Br)c1Cl 587555017 KGIPQMYJCOERLA-UTKZUKDTSA-N 542.582 6.199 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc(F)c(Cl)c1 587557373 NBJFUERUDYWGGT-SHQCIBLASA-N 512.364 6.688 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 587673204 LJIYDZOVDSHDFE-SHACYNPGSA-N 566.696 6.401 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C1=C(SC(C#N)=C(C#N)S1)C(=O)c1ccccc12 587856535 NIXPSKXBLYGRQO-BSNNYGBQSA-N 510.413 5.513 50 1 KKGF CC(=O)N1[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)Cc2ccccc2[C@@]1(C)c1ccc(S(F)(F)(F)(F)F)cc1 961950020 KNYVGTFOLOYUTE-PNIUZAESSA-N 597.606 5.299 50 1 KKGF CC[C@H](C)[C@@]1(CCl)c2ccncc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962579051 ZRLANNAZMVSVKW-YSFPHSKWSA-N 505.014 5.822 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](CBr)(c1ccc3c(c1)OC(F)(F)O3)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962640843 XFTQAIMUUQIOAH-MHECFPHRSA-N 568.367 5.096 50 1 KKGF FC(F)(F)c1cnc([C@]2(CBr)c3ccsc3CCN2Cc2cccnc2)c(Cl)c1 962996225 HMAQPFODDZFEIN-IBGZPJMESA-N 502.787 5.907 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@@](CBr)(c2ccccc2I)N1C(=O)OCC1c2ccccc2-c2ccccc21 963028233 AEYJWNOGJTWSBB-WXGMZPBLSA-N 730.343 7.468 50 1 KKGF C[C@H](Cl)C[C@@H](Cl)[C@@]1(c2ccccc2)c2c(ccc(F)c2F)C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963045237 YAXQRTKCQOCJDE-VWOYHFDFSA-N 636.522 8.094 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@@](CCCCCCCl)(c2ccccc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963070235 CQJVMSQDEKEDBS-KAFYBFJGSA-N 814.699 10.729 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cccc(C#N)c2)N1 963158870 CVSVGCLOIVLMMB-MSEJLTFDSA-N 643.585 6.477 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1scc(Br)c1Br 963862854 IHOCXLWVISKCTO-PEBXRYMYSA-N 638.216 6.857 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)c4c(C)cccc4C[C@H](CC(=O)O)N3C(=O)OC(C)(C)C)sc2n1 963863400 VSEJTBSQRBPHGV-XBBWARJSSA-N 572.127 6.299 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)Cc6cc7cc(F)ccc7nc6C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NNC(=O)c2ccccc2)CC[C@H]1C 1772619157 GGUQNSMVPCRQDJ-NTZPXQERSA-N 675.933 9.506 50 1 KKGF Cc1c(C)c2ccc(OCCO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2oc1=O 1857752248 QMKROUZTSBXAEA-UNJUIPDQSA-N 500.588 5.013 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@@H]5CCC[C@]5(C[C@H](O)CO)CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356300019 JQOYJEBCGVJPKL-NUQAITILSA-N 970.267 8.073 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](O)c1cc(O)c([C@H](CCCC)CCCC[C@H](C)[C@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356328075 OALOPYYRKWCJGW-AODLOOFBSA-N 663.336 10.311 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@@]34CC[C@H]5C[C@H]6[C@@H]7C(O)=C[C@H](OC)[C@]7(O)[C@@]5(CC=C[C@@H]3[C@@H]1C2)[C@]64C 2356353070 HNPBVJXCUIDARE-ZVBUZLNISA-N 623.925 6.800 50 1 KKGF C[C@H](O)[C@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@H](CSSC1)C[C@@H]([C@@]1(C)C=CC[C@@H](C)C1)C2 2356439784 CLYXUWLNKQSFPB-NIQNWOTOSA-N 564.901 8.875 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356625345 JVPRJGVDJLHHPG-JFZIVLOISA-N 672.945 7.985 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4C[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@]34C)[C@H]2CCCCC2=C51 2356689162 ZHMAFZZAZWGLHB-PJKGNGQXSA-N 815.199 8.506 50 1 KKGF CC(C)=CCC1=C2O[C@@H](C(C)(C)OO)C[C@@]23C[C@@H](CC=C(C)C)C(C)(C)[C@@](C(=O)c2ccccc2)(C1=O)C3=O 2356748858 XWDJAVMNFFGXQU-PSQRUQSASA-N 534.693 7.064 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](CCCO)(CCOC)Cc2cccc(c2)C1 2356768672 RGBYPNPZOQFIBQ-MSZBSPDXSA-N 875.201 5.102 50 1 KKGF CCCCCCO[C@H](O)C[C@@H]1CC[C@](CNC)(Oc2cc3cc(c2O)NC(=NC)NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=C[C@H](CCCCC)C32CCCC2)C1 2356777704 BTAPTQCIYNXGJT-OAHBKCKNSA-N 937.367 11.052 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C[C@H]4SS[C@]5(CCCC6(CCCC6)C5)[C@@H](CC[C@H](C)CCC[C@H](O)[C@@]4(O1)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@H]4[C@@]3(O)[C@H]1O)NCCO2 2356778560 XZGZGGPHDYXXHG-JKQAVFPXSA-N 940.231 6.276 50 1 KKGF CC1(C)[C@@H](Br)CC[C@](C)(O)[C@H]1C[C@]1(C)[C@@H](Br)CCC2=COc3ccc(C(=O)O)cc3C[C@H]21 2356793659 HKBWFRBRBGEOPF-BAERFEIBSA-N 570.362 6.724 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4C5=CN=C6CN(C=C56)[C@H]5Oc6c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]7C=C[C@H](C8CCCC8)C[C@@H]7O)c6CSSC2)OC#CC2(CCCC2)[C@H]5C#C[C@H](O)c2ccc1c3c24 2356852009 QMEUDKCCGQCQLC-CUMLWFFLSA-N 939.213 7.258 50 1 KKGF CC(C)[Si](O[C@@H]1C(=O)N2[C@H]3Nc4ccccc4[C@@]3(c3c[nH]c4ccccc34)C[C@@]2(O)C(=O)N1C)(C(C)C)C(C)C 206393918 NPVWHBZFFXWPSU-ZSLXANFHSA-N 560.771 5.117 50 3 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccc(N=C=S)cc4)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 28764084 OXVIDGHUFWUYCY-XZLGBSMGSA-N 561.707 5.829 50 1 KKGF Cc1cc(=O)c2c(CBr)cc3c(c2o1)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)[C@@H](OC(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C)C(C)(C)O3 58576493 ZWICFSVDPJOSIV-CTAQNPQRSA-N 729.617 5.907 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@@H]3C=CC[C@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 85567726 XMDGJOBRANCNLH-OAAXRDEISA-N 680.841 6.587 50 1 KKGF biogenic,in-vitro COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(COC(=O)C(C)(C)CN)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 95539883 LAHPYTGOVOPNIP-QFWJHOCPSA-N 834.835 5.353 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccccc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 102952546 FQUWBDIMZNBBMA-RKIXZDKYSA-N 505.430 6.580 50 1 KKGF COc1ccccc1OC(=O)[C@H](C)Oc1cccc([C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c1 103177821 DURJXXZOUOZYJT-QVNWXNLVSA-N 538.637 5.991 50 1 KKGF COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 238745765 CLZXVJIVXLPLPS-WHNUPTRFSA-N 672.242 7.874 50 1 KKGF C=C(/C=C/C=C(\C)CCC=C(C)C)[C@H]1CC[C@]2([C@H](CCCOC(=O)CCCCCCCCC)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O 238748274 STJFJPTXDBOCEX-AAKUDDPDSA-N 624.947 9.689 50 1 KKGF Cc1ccc2c3c(c4c(nc13)[C@@]1(C)CC[C@H]3[C@@H](C[C@@H](Br)C5=CC(=O)CC[C@@]53C)[C@@H]1C4)-c1ccccc1C2=O 586992386 ATHBMDFKTQJRFW-CDSLCZMSSA-N 566.539 7.674 50 1 KKGF CCCCCCCCOc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1Br 587009384 CLIAENDWEGYDSD-DEOSSOPVSA-N 559.936 7.185 50 1 KKGF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587041858 GAIULCWHOHMQQI-ZDUSSCGKSA-N 534.757 7.292 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(Sc4ccccc4)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587056381 MZIDMWIRXLEXIN-ZHZULCJRSA-N 515.469 8.493 50 1 KKGF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(S(F)(F)(F)(F)F)cc4[nH]2)cn3C2CC2)CC1 587171671 AGLDSKBHIKRVHU-UHFFFAOYSA-N 557.564 6.818 50 1 KKGF Oc1nc(O)c(I)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)n1 587183458 ZODPEQZKLYLKAE-UHFFFAOYSA-N 559.052 5.456 50 1 KKGF COc1ccc([C@]2([C@H](C)Br)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1Cl 587323921 USIOCSRYRYBQFE-WLXJBKMTSA-N 505.767 6.231 50 1 KKGF COc1cccc(-c2cc(-c3cccc(NC(=O)[C@H](Br)C(C)C)c3)nc3c2oc2ccccc23)c1 587361590 WNPCUKWIERNGHE-AREMUKBSSA-N 529.434 7.682 50 1 KKGF CCc1cccc2c([C@]3([C@H](Cl)c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 587543320 KHCONVOAUNBTDU-XGNZJKERSA-N 509.989 7.273 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587686319 CKBHCOHZAMYOFZ-ZCDIYMNCSA-N 562.266 6.178 50 1 KKGF CC(C)(C)OC(=O)NCCCNC(=O)CC[C@@]1(CCOC(=O)OC[C@H]2CN(c3ccc([C@@H]4[C@@H]5CS(=O)(=O)C[C@@H]54)c(F)c3)C(=O)O2)OOC2(O1)C1CC3CC(C1)CC2C3 621477891 WQWUSVWHARZHLU-LKTQJUDYSA-N 835.945 5.091 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]1(CCCCCl)c1ccc([N+](=O)[O-])cc1 961775034 HZQOLSAVCYZTHZ-MHZLTWQESA-N 500.039 6.399 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1c[nH]c3nccc(Cl)c13)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962674002 LSEHVSLVDNFLLM-AREMUKBSSA-N 564.391 6.433 50 1 KKGF N#C[C@H](c1nnc2n1CCCCC2)[C@]1(CCl)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963103112 YOYDPYQUEBEUCA-CYBCHLBCSA-N 642.203 7.049 50 1 KKGF O=C(Nc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1)C1CCC2(CC1)OOC1(CCCCC1)OO2 1772581223 QGHKJWBUQDKSJR-UHFFFAOYSA-N 525.005 6.422 50 1 KKGF BrCCCCc1ccc(-c2ccc(-c3ccc(CCCCBr)s3)s2)s1 1772600159 OLGHZHGXCPZVNJ-UHFFFAOYSA-N 518.405 8.640 50 1 KKGF COc1ccc(NC[C@]23CC[C@H]4[C@@](C)(CC[C@@H](OC(C)=O)[C@@]4(C)CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]2C[C@@H](C2=CCOC2=O)O3)cc1OC 1857639851 KDGHENWKXFMUMV-SNUJFIRWSA-N 700.002 8.083 50 1 KKGF C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4C/C(=N\NC(=O)Nc4cccc(Cl)c4)[C@@]32C)O[C@]12CC[C@@H](C)CO2 1857754892 URJWXOJFYBVTPQ-PNMLXUFBSA-N 598.228 7.235 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCCC[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356321414 LYNJBWAXBDTPTG-WHPAHYPOSA-N 880.142 6.900 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25C=C[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@H](O)C1 2356356460 KEPOMKOOYCZBRL-OTZNQSIGSA-N 885.121 7.054 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356435041 PEGCHNAPBMVFEK-PTABBXJTSA-N 859.202 6.679 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC)[C@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2CC[C@@H]2CCC[C@H]21 2356505825 QOLBPFOHLXZTAK-IPTNEIRPSA-N 966.413 7.314 50 1 KKGF CCCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](CCCCCCCC)CC[C@@H]4[C@@H]3C[C@H](Br)[C@@]2(Br)C1 2356535155 ZKUCDSCKSARUCE-YOEBHYOJSA-N 826.968 15.850 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356607136 BDDQNHGNMVFAHA-ZILDEOIASA-N 803.056 8.354 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@H](NCCCCO)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356628325 OYRBLQOMQZDVHI-BHCXPQHRSA-N 819.055 7.355 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1CC=C[C@@H](C4=O)[C@@]512)NC(=N)NC[C@H]3Cc1ccccc1 2356777986 JQOMZMIUZQBJNR-VWOOPGMYSA-N 577.860 5.763 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H]([C@]2(N3C=CNC3)CCC3(CCCC3)C2)SSC1 2356869238 XJWMMDJOIPKGBM-UMXTYRHJSA-N 676.949 7.570 50 1 KKGF COc1cc(/C=C(\C#N)C(=O)Nc2nnc(C(F)(F)F)s2)ccc1OCCOc1c(C)cccc1C 13584636 NBXFWLWVGYIBOG-GZTJUZNOSA-N 518.517 5.186 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccc(OCc3cc(=O)oc4c3ccc3ccccc34)cc2)N1c1ccc(Br)cc1 49709049 AHKIBIAGBFFTGN-SVBPBHIXSA-N 560.831 6.983 50 1 KKGF CC(C)(CN1CCCCC1)C(/C=C/c1ccccc1)=N\NC(=O)N/N=C(/C=C/c1ccccc1)C(C)(C)CN1CCCCC1 73386921 RHTDKAPREAADQN-CNLREZORSA-N 596.864 7.449 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)[C@H]2CCC(C)C 85627317 GFKYDFOGJWKTRC-RJDXEVAWSA-N 839.222 8.939 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSS[C@@H](C)CCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(/C)C2 169361848 BQZGIZZCEBSBQH-KYQDAODMSA-N 870.484 5.539 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)c3ccc(C(=O)O)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169366184 LZFFIZKRGIXYGQ-ZCDISBFJSA-N 712.877 6.854 50 1 KKGF COC(=O)[C@@H]1C(=O)C(c2ccc(OC)cc2)(c2ccc(OC)cc2)C[C@H](O[Si](C)(C)C(C)(C)C)C1(C)C 196927108 WXSLENFEVJQHFF-DQEYMECFSA-N 526.746 6.169 50 1 KKGF CC1(C)CC[C@]2(CO[Si](C)(C)C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 238764128 UUAGMUWFWZGYBW-DKXFVNHDSA-N 587.094 10.860 50 1 KKGF N#C/C(=C\c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 299839532 YNOSUHGTTBXXMQ-KGENOOAVSA-N 575.641 7.398 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191390 ZMFJONIUGOFJTK-AIHKBYKKSA-N 751.390 8.049 50 1 KKGF Cn1cc([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587326900 DGQKFGSQCPGNGT-YCJYEHCPSA-N 626.581 8.395 50 1 KKGF CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587453873 SJPAVBIXTZTDEQ-TVUWKHJISA-N 552.092 6.149 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)cc3)no2)N1 587672725 HLZHOUNCGCTVAB-PRWKNARSSA-N 514.620 6.069 50 1 KKGF CCc1c(CBr)c(CC)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CC)c1CBr 587875472 UYDVHLAYEVBLAI-UHFFFAOYSA-N 602.238 7.375 50 1 KKGF CCOC(=O)c1c(CBr)n(C)c2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)c(OC(C)=O)cc12 587876460 GEXLTOGXJHJHEY-UHFFFAOYSA-N 594.289 5.192 50 1 KKGF Cc1c(C(=O)N/N=C/c2ccc3c(c2)OCCO3)nn(-c2ccc(Cl)c(Cl)c2)c1-c1ccc(Cl)cc1 653741129 CASMYVSQCTZFAO-AMVVHIIESA-N 541.822 6.343 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(C(=NNC(=O)COc3ccccc3Cl)C(=O)c3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680287 UEWVXFVQBWWNLY-UMSFTDKQSA-N 678.063 6.066 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c(C)n1-c1ccc(Br)cc1 962759168 BJBVSQLISPTSFJ-GMAHTHKFSA-N 525.796 5.985 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]34CCCCCC[C@@H]4Cl)c(O)c2C(=O)O1 962976339 VQVQHYXNOOJWDY-YQHOWDAUSA-N 546.447 5.456 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)C5CCCC5)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356291955 IHACHMRSQJEUHX-PMKUQRDUSA-N 944.273 9.488 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356358751 WDVBKYSAIBJKTM-TWVIAYGLSA-N 960.317 5.742 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SS[C@H]3C=Cc4c(ccnc4N3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356360908 REQNWSXGCMVWRL-MFTIJFMQSA-N 848.100 9.036 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5cc(C6(CCO)CCCCC6)c(=O)oc5cc1O2)[C@H]43 2356368933 BHEIZGQOUKRKAT-KUGRFFCWSA-N 869.119 6.180 50 1 KKGF CC(C)(C=CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@H]12)OO 2356474587 YDANZQNAKUJCQB-CZOLGXNXSA-N 500.676 5.498 50 1 KKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)C[C@H](OC)O[C@@H]1CC(C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@@]23C)=C1C=O 2356618700 DRFPZBVYKVDYOL-BMIQRMOUSA-N 618.943 10.137 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)[C@H]3CSSC[C@H](CCO)[C@@H]4[C@H](CO)C[C@H]1CC1=C3C(=O)C[C@]142 2356669093 MPPASOILWTVSGR-SKJIMYDTSA-N 808.261 6.811 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@H]2C[C@@H](CC[C@@H]1C)[C@H](CCCCc1oc(CCc3ccc(O)c(OC[C@H](O)c4cc5c([nH]4)[C@H]4C=C[C@@]6(CCC[C@@H]6C4)[C@@H]5CNC[C@@H](C)O)c3)cc1CO)C[C@H]2N 2356681153 ILYIZDVKGVZGKN-VTZMGWRNSA-N 947.366 8.207 50 1 KKGF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@H]5CC[C@]6(C)[C@H]([C@H](C)C=C[C@H](C)C(C)C)CC[C@H]6[C@]56C=C[C@@]3(C2)OO6)O[C@H]1O4 2356717103 HCBLZWNIJGQSSM-HEBZYFSRSA-N 782.971 9.729 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356740993 ARJDEASPYJYLKN-WAOXCRRPSA-N 857.010 5.063 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](CN2C=CNC2)(CCN3)SSC1 2356833946 JYUGJPNTKOXWDB-UKPGIYTDSA-N 594.803 5.474 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@@H](CO)CC[C@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356861936 UVFYIHRCVSYRRI-XCGTYLOCSA-N 975.243 6.012 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@H]2O3)CN2C[C@@](CC3=C[C](N)NC=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356864884 YWRJGRVUCGSQAC-HYSAGDLFSA-N 850.185 7.302 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCC6)SSCC6=CC[C@H](C7CCCC7)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356870766 XUOFESWFNVWVMM-OYFMPNKGSA-N 824.206 11.106 50 1 KKGF CC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1[C@H](O)C[C@]2(C#CCCCI)C/C(=C/CCCC(=O)O)C[C@H]12 27518625 DJIYXYQVQHFZSA-YYFGBYQCSA-N 552.493 5.130 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@H]6COC[C@](CCCO)(CSSCO4)[C@@H]56)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 85511240 GRVGNXKMQZRDBN-QUHRPPFASA-N 827.027 5.895 50 1 KKGF biogenic,in-vitro CC(C)=CCC[C@]1(C)[C@H](CC=C(C)C)C[C@@]23C[C@H](C(C)(C)OO)OC2=C(CC=C(C)C)C(=O)[C@@]1(C(=O)C(C)C)C3=O 100782332 CSWYLIDLQDJVCQ-KIUQZFDISA-N 568.795 8.133 50 1 KKGF endogenous,in-man CC1(C)CC[C@]2(C(=O)OC/C=C\CCl)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103295774 LCJPRTHZHMHCBE-MZOORMOUSA-N 561.247 7.458 50 1 KKGF COC(=O)CNC(=O)[C@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C(=O)c1cccc(OC)c1OC 169299384 NYLSEXHIWAXVFO-WNMPVXNJSA-N 913.115 6.865 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@@H](c1ccccc1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195350461 DFROLEZYMZMYDM-CDZUIXILSA-N 571.919 10.871 50 1 KKGF COC(C/C(=C/CO[Si](C(C)C)(C(C)C)C(C)C)C(=O)Nc1ccccc1I)OC 195454443 UODVZPJYNFTMQO-UYRXBGFRSA-N 547.550 6.357 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(O)c1)C(=O)Nc1ccc(C)cc1-2 253638961 FFVOKMFWWBHGDO-QGZVFWFLSA-N 523.253 6.575 50 1 KKGF CC1(C)CC[C@]23CC[C@]4(C)[C@](C(=O)C=C5[C@@]6(C)C=C(C#N)C(=O)C(C)(C)[C@@H]6CC[C@]54C)([C@@H]2C1)N(CCO)C3=O 473126413 SSVHEOHWRAPFAQ-NKTDAKMPSA-N 532.725 5.163 50 1 KKGF COC(=O)C1=C(C)NC(C)=C(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)[C@H]1c1cccc(Cl)c1Cl 587056801 RRXPWDIJDWDUKB-GOSISDBHSA-N 633.264 8.855 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2c(CCl)cc(Br)cc2c1=O 587539582 FIUFBZPSOPIBLG-YADARESESA-N 513.727 5.703 50 1 KKGF COc1ccc([C@@H](C[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)OC(=O)Nc2cc(Cl)ccc2Cl)cc1 621429267 UAYQRYVLSAYJTJ-YNOKDNKLSA-N 730.686 7.418 50 1 KKGF CN(C(=O)NC(=O)c1ccc(F)c(F)c1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2ccccc2C(F)(F)F)s1 653865363 RLDJPAKAKBJLHO-LODFRUGASA-N 579.429 5.209 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CBr)c1ccc(CBr)cc1 961751074 QWGXQKWTUNXKDX-RUZDIDTESA-N 550.335 6.371 50 1 KKGF BrC(Br)C1(C(Br)Br)c2ccccc2C[C@H]2CN(c3ccccc3)CCN21 962643959 QQCMCXRCIXMNOP-INIZCTEOSA-N 608.010 5.861 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1cc(C)n(-c3cc(F)ccc3F)c1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962669262 PNRDSSSQIZYOPZ-HKBQPEDESA-N 619.030 7.589 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(C)[C@H](Cl)c3ccc(F)cc3)c(O)c2C(=O)O1 962962869 CZLCDSKAQVHYQU-IEBNHCLNSA-N 572.416 5.633 50 1 KKGF Cc1cc([C@]2(CCl)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)c(C)cc1Br 963024427 RBFSQHPCYJNXSQ-RBJSKKJNSA-N 586.313 6.835 50 1 KKGF CC(C)[C@H](Br)[C@@]1(c2ccccc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963027346 SIGLMJYGUAJIAW-QEMZJVQQSA-N 565.895 6.636 50 1 KKGF O=CC1=COc2c(CSc3ncccn3)cc(Cl)cc2[C@@]12c1cc(O[P@](=O)(O)OCc3ccccc3)ccc1C[C@H](C(=O)O)N2C(=O)OCC1c2ccccc2-c2ccccc21 963079830 SKNLMVGRFOPVPS-AGTKMYHESA-N 888.291 9.098 50 1 KKGF CCCCCC(=O)Nc1ccc([C@]2(CCl)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963143803 VBYNCZULTAVREX-WJOKGBTCSA-N 550.099 5.986 50 1 KKGF C=C1CC[C@@H]2[C@](C)(CO[Si](C(C)C)(C(C)C)C(C)C)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 1857639636 WYPKBYVPGWINBD-JANAUTQVSA-N 530.822 7.538 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)c2c(c1O)Cc1cccc(c1)[C@H]1NCCC[C@H]1SSC2 2356299607 FRZKNIMAHBPKKP-ZJWNFNTRSA-N 992.316 10.986 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]3CC[C@H](O)Cc4cccc(c4)[C@H]4CSSCc5ccc6c(c5CC(=O)C(C)=C3CC[C@]2(C)O)[C@H](NC[C@H](O)C4)C(=O)N[C@@H]6N)[C@@H]1O)[C@@H](CC=C(C)C)NCC 2356372487 FWAKTYPVRHCVSW-MKLBMBBNSA-N 969.368 7.243 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356375548 GWJBEOPSMZHVMQ-DQFLYVEPSA-N 779.082 7.350 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@H](O)CSS2)c1ccc(NCC(C)=O)c(CO)c1 2356710842 XHKHKSSXYJREOX-ADXZUMGFSA-N 760.975 7.212 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356733061 RSXNXHYLDZQBPY-CKYUERIMSA-N 701.005 5.933 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356777982 JMHPYFFUTOXRLZ-QFJZXTSESA-N 829.094 8.915 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]23[C@H](C(=C(C)C=O)CC[C@]2(C)O)[C@H](CCO)CC[C@@]13O)CCC=C(C)C 2356779671 WDTKFTNQHRGVNY-ZCBBPUBCSA-N 556.784 5.377 50 1 KKGF CC1=C[C@@H]2O[C@H](OO[C@@H]3O[C@@H]4C=C(C)CCC=C(C)CC[C@@H]5O[C@]5(C)CCC4=C3C)C(C)=C2CC[C@@]2(C)O[C@H]2CCC(C)=CCC1 2356801792 QUTQBDXTYWLOSB-ITQIFOSISA-N 634.898 9.826 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356818101 DQNCTSKBYQCDBT-RDBGZDNXSA-N 759.991 5.961 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5N=CC=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@H]3[C@H]1CC[C@H]4[C@H](O)C1 2356842697 MXIWWICXYPOOBV-COVDMDKFSA-N 863.031 5.919 50 1 KKGF Clc1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc(Cl)cc2Cl)c(Cl)c1 29397688 NFWJOUCOTCMTLC-UHFFFAOYSA-N 668.672 8.861 50 1 KKGF C1=C[C@@H](CNCCCCCCCCCCCCNCCSSCCNCCCCCCCCCCCCNC[C@@H]2C=CC=N2)N=C1 29551222 MHWIJJORNBOFAH-UWXQCODUSA-N 677.170 8.547 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](=O)[O-])c3cc([N+](=O)[O-])ccc43)[nH]c2c(OC)c1OC 49695564 NTVQTDKBAKLPST-CYBMUJFWSA-N 540.916 5.146 50 1 KKGF O=C(O)c1pc(P(Cl)Cl)c2ccc(O)c(N(N3C(=O)[C@H](Cl)C3(C(=O)c3ccccc3)C(=O)c3ccccc3)[N+](=O)[O-])n12 49765584 DHMICDRIIJWSAE-KRWDZBQOSA-N 667.722 5.205 50 1 KKGF BrCc1cc2cc(Br)c(NBr)cc2c(Br)c1Br 64573335 ZFTAFQGJWJQZSZ-UHFFFAOYSA-N 551.696 6.744 50 1 KKGF CC[N+]1=C(/C=C/C=C/C=C2\N(C)c3ccc(NC(=O)CI)cc3C2(C)C)C(C)(C)c2c1ccc1c(S(=O)(=O)O)cc(S(=O)(=O)O)cc21 87520173 RQHQZAMFRVIDKW-UHFFFAOYSA-O 790.722 6.527 50 1 KKGF in-vitro Fc1ccc(C(OC2C[C@H]3CC[C@H](C2)N3CCCc2ccc(N=C=S)cc2)c2ccc(F)cc2)cc1 100900682 TVUOOUQDGYWZPB-VSGBNLITSA-N 504.646 7.433 50 1 KKGF C=C(CC[C@@H](O)[C@]1(C)CC[C@@H](C(C)(C)O)O1)[C@@H]1CC[C@@H]2O[C@@]3(C)CC[C@H](Br)C(C)(C)O[C@@H]3CC[C@@]2(C)O1 146630708 JMDJFTQQIIBAGR-GJYYDLNGSA-N 587.636 5.989 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@@]24CCCC[C@H]3[C@H]1OC4=O 150345652 KKBNSZIVIJTUGD-AHVCTVLSSA-O 819.986 6.654 50 1 KKGF biogenic,in-vitro COc1ccc([C@@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 150589883 ZRUNYOFSHFEXEH-QWOOXDRHSA-N 776.902 9.199 50 1 KKGF CCCCCCCC/C=C\CCCCCCCC(=O)OC/C(=C/C#N)COC(=O)CCCCCCCCCCCCCCCCCCC 238760365 DUVFKUOPHLSSOG-LGFDLGDVSA-N 672.092 13.602 50 1 KKGF Fc1c(F)c(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(F)c(F)c1S 587135374 YPSUANAMXOAPQO-UHFFFAOYSA-N 503.209 7.495 50 1 KKGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(Br)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587420772 LVYRFGMFIOSHGU-UGSOOPFHSA-N 506.112 5.514 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 587541330 AZPSSYBPMAUSOH-NAKRPHOHSA-N 503.938 5.624 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cc(C(=O)CCl)cn2C)(C(Cl)(Cl)Cl)N1 587683148 OAYBYMBGCJUQAV-VVVCHXIZSA-N 517.053 5.496 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)ccc1Cl 587689815 WRNJVAPYIJOXDH-MYODQAERSA-N 530.696 7.319 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3-c3cccc(Br)c3N)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587935479 ASBGTNHZDKJYFY-NFWXQWSASA-N 535.435 5.114 50 1 KKGF CCCCC[C@H](C(=O)COc1c(F)c(F)cc(F)c1F)n1cc(C2(NC(=O)O[C@H]3CCC[C@@]4(C3)OOC3(O4)C4CC5CC(C4)CC3C5)CCCCC2)nn1 621431729 BUCCEQIRSSECMF-BBXUAXNESA-N 762.842 8.259 50 1 KKGF CC(C)(C)OC(=O)N[C@@H]1CC[C@@]2(NC3(CC3)Cc3ccc(Br)cc32)[C@@H](Br)C1 961615532 PDBAZDJHAWPGFF-KUDFPVQQSA-N 500.275 5.163 50 1 KKGF COc1cc2c(cc1OC)[C@]1(c3ccccc3C(=O)c3cccc(NC(=O)[C@@H](C)Cl)c31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962673880 FFHUDVMRTQWANB-XRSWDHFMSA-N 649.065 6.823 50 1 KKGF Cc1c(O)[nH]c2ccc([C@]3(CCl)c4ccccc4C[C@@H](C(=O)O)N3C(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc12 962719333 SYPSGZZKBJQPSH-MLZZNZMKSA-N 685.171 6.781 50 1 KKGF C=CCS/C(NC)=C(\C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962973474 WGONPJVBJFXXOT-WXOOTHOOSA-N 644.147 6.286 50 1 KKGF Cc1cc([C@]2(CCCCCCCl)c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)ccc1F 963140121 JCBZDJUKDVXGSW-NBGIEHNGSA-N 511.059 6.270 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 963198473 VPNHSOBDDOIUDM-BJKOFHAPSA-N 553.344 7.486 50 1 KKGF Cc1cccc2c1[C@H](c1sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c1Cl)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963862746 GBBUTMYACAWWKJ-HYBUGGRVSA-N 654.638 6.156 50 1 KKGF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(-c3ccccc3)cc2)C[C@H]1C(=O)N[C@@H](Cc1ccc(O[Si](C)(C)C(C)(C)C)cc1)C(=O)NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 1772573481 NGGZJFYOGNLBNZ-BQKXBGLYSA-N 879.505 8.289 50 1 KKGF COc1cc2nccc(Oc3ccc(NC(=O)N/N=C/c4cn(-c5ccccc5Br)nn4)cc3)c2cc1OC 1857539597 LNKRFKIEVJNZGF-FJEPWZHXSA-N 588.422 5.543 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCC[C@]78CCC7(CCCC7)C8)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356457479 QMZCDBVLEFFHNJ-BOXUJVMOSA-N 969.269 8.669 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@](NC(=N)NCCCO)(CSS[C@H]3CC[C@H]12)C4 2356519930 SRNRVCAGKPCSRQ-FPSYUPJVSA-N 823.047 6.171 50 1 KKGF CNCc1ccc(CO)c([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@]34NC(=N)NC[C@@H]24)c1 2356732547 IQUISJOVUYASBA-YJYLFJFQSA-N 697.024 5.123 50 1 KKGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCC=CCC=CCCCCC)[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356764640 YNJVOZLZBOSBDI-BWFKBZDVSA-N 640.858 7.605 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356814442 SDXUJXWYQCXLQF-UXHZOGNTSA-N 773.010 6.513 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356818099 DQNCTSKBYQCDBT-DAECZMBMSA-N 759.991 5.961 50 1 KKGF CCCNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)OCC(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@H]3OCSSC[C@H]2C2=CCN=C2)c2ccccc21 2356873211 ZDNCXVUEUVPFRF-LJYOOBNRSA-N 925.159 6.778 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(O)cc2)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873670 SQTOJVAIUPEFBN-BJKOFHAPSA-N 643.350 5.826 50 1 KKGF CCO[P@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=C/[P@](=O)(F)OCC)cc(OC)c2O)c1 49881432 GWTHZRGNGFZEEC-CCILTULISA-N 518.386 7.122 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)C[C@H](Br)P(=O)(O)O 66259076 PFFHBTVVORAHDE-LEWJYISDSA-N 515.466 6.441 50 1 KKGF COc1ccc(CCNNC(=O)c2c(-c3ccc(OC)c(OC)c3)c3c4cc(OC)c(OC)cc4oc(=O)c3n2CCc2ccc(OC)c(OC)c2)cc1OC 95542603 ITLFVHDYJDUTTE-UHFFFAOYSA-N 767.832 6.203 50 1 KKGF O=C(CC(=O)NN(C(=S)c1ccccc1)c1ccccc1)NN(C(=S)c1ccccc1)c1ccccc1 103147599 BSVIZQTWEMFWNI-UHFFFAOYSA-N 524.671 5.204 50 1 KKGF CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4Cc4ccnc(c4)NCSS[C@@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 150344198 TYAJKXMJIPCFRG-ZEKUFUJKSA-N 646.875 7.614 50 1 KKGF biogenic,in-vitro C[C@H](CCc1ccccc1)CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 150349193 CVNXFKHQVUSSKR-VKTJFDKGSA-N 907.235 10.850 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(COC(=O)CCC(=O)O)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169366069 MRMWPXILPFNNHC-DOSOTLAWSA-N 706.870 6.292 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCc3ccccc3)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 170071395 ZNZJRVRQJDIXTI-FTZXBZJASA-N 677.099 10.893 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1C(=O)c1ccccc1[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323573 LESDBANRJKDYEW-GPGDFEJOSA-N 541.962 5.944 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@]3(C)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)sc2n1 587375828 VAFMRPLYNYJOTN-AJTFRIOCSA-N 525.001 6.209 50 1 KKGF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@@H](C)Cl)cc21 587461004 VUGCNFLIDXWDKA-SUMNFNSASA-N 524.400 6.017 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CCl)N1 587686440 VHVAOEFRPVKNTB-LFPIHBKWSA-N 522.245 6.245 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(SC(F)(F)F)c2)N1 587719190 KOJDAROFGFRBCT-DYZYQPBXSA-N 513.192 6.373 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(C(Br)Br)c(C(Br)Br)cc1Br 587875564 XVEXUTZWOFUKDK-UHFFFAOYSA-N 740.737 8.043 50 1 KKGF COc1ccc2c(c1OC)[C@]1(C=CC[C@H]3[C@H](N(C)C)c4onc(OCc5ccccc5)c4C(=O)[C@]31O[Si](C)(C)C(C)(C)C)N(C)[C@H](C)C2 962620362 HGPOZBLPIWCJSE-FMKGQEAVSA-N 673.927 7.178 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](CBr)(c3ccc(I)c(C(F)(F)F)c3)N12 962658270 CMTVBOPBGOANTG-YADHBBJMSA-N 619.219 5.595 50 1 KKGF C[C@]1(c2ccc(CCl)cc2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963085260 YWQCKWSPKCWYAY-PJKFIHJXSA-N 724.146 8.645 50 1 KKGF Cc1cccc2c1[C@H](c1ccc(N(CCCl)CCCl)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963853967 KSDITOIYKPQDRU-RDGATRHJSA-N 521.485 6.005 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(COc3ccc(C(=O)Cl)cc3)C(C)(C)C)nc(Cl)nc21 963918407 YVYIUABNPATNAJ-LJAQVGFWSA-N 568.505 6.528 50 1 KKGF CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)NCCCCCCCN=C=S)cc3)nc2n1C1CCCC1 1857534441 QWELELWUCGKOGI-UHFFFAOYSA-N 547.729 5.775 50 1 KKGF C[C@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857572619 RWDTUIJDQQUBLH-KRWDZBQOSA-N 506.440 6.716 50 1 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]21C 1857624113 XRRHDGKBIMJRKD-WCINVYLQSA-N 546.384 6.503 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNc3cc(ccn3)C2)CCCC1 2356318261 CDIVCRXMRMAMGC-UYMHJYRHSA-N 703.971 7.592 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCCC[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356321416 LYNJBWAXBDTPTG-ZYTMIAMSSA-N 880.142 6.900 50 1 KKGF CNCc1cc(O)cc([C@H](NC)O[C@H]2CC(=O)CCc3ccc(O)c(OC)c3-c3ccc4ccc(O)cc4c3CSS[C@H]3CC[C@H]2C[C@@H]3O)c1 2356353648 AWRSQBYOOFLMHP-PJLJUUFOSA-N 718.938 6.971 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOCNC[C@H](C)O)C3)c2)N1 2356509271 JYRNJZUPXAMRMJ-DNXVHOQGSA-N 800.101 6.005 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@H]21 2356667945 XDUQAHOQCDXXEG-XTRQJAEDSA-N 956.370 6.276 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc(C(N)N)c3)=C3CC[C@](C)(O)[C@@]2([C@H]3CCCO)[C@H]1O)CCC=C(C)C 2356756015 MJELDTMLXDXABX-BKVLEUIXSA-N 711.047 6.490 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC)[C@@H]2CCC[C@](C)(O)[C@H]2O3)O1 2356762488 ADZDLZKCSHINGR-LJZHWQFVSA-N 627.690 5.147 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356779659 VUBROGPTPRHSHX-UTBXNRKOSA-N 714.995 6.031 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@@H]3O)c2c1O 2356780428 WIKMESULTZTLLA-NGXAVYOUSA-N 845.086 6.623 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@@H]1[C@H]2CC[C@@]4(C5=CC[C@H](C)CSSCNC6=CC(=CCN6)[C@H](CN6C(=O)C=CC6=O)C2=C4C(=O)O5)[C@H]31 2356874722 YYPGCROZKYDYLW-KLGSUPQZSA-N 713.922 5.968 50 1 KKGF CN1CCN(c2ccc3nc(-c4ccc5nc(CCc6ccc(N(CCCl)CCCl)cc6)[nH]c5c4)[nH]c3c2)CC1 27517884 LEQWZIAWQWUXJJ-UHFFFAOYSA-N 576.576 5.927 50 1 KKGF O=C(O)COc1ccc(/C=N\NC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1 33932780 TXWSATBBJRPVTL-WKIKZPBSSA-N 506.971 5.434 50 1 KKGF C/C1=C/CC/C(C=O)=C\[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C\CC1 36415274 XJBILGKCOVAJTM-IUMRWQOHSA-N 527.573 7.137 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCBr)C(CSc2ccccc2)=N1 43799789 ICMAQBCUZVMKER-JSMIYBGHSA-N 537.401 7.015 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCBr)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 44052576 AWEKTNNNXSTPIC-PFIOHWBWSA-N 563.661 8.087 50 1 KKGF O=C1c2cccc3c2C(=O)[C@]2(CSSCNc4cc(ccn4)[C@@]4(CCC5(CCCC5)C4)C[C@@]4(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 85592380 MNTLZGHSJZCNEY-SYELAELTSA-N 843.033 5.566 50 1 KKGF biogenic,in-vitro CC[C@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@H](CCN3)SSC1 85596466 AXDPGYPQVYBPGV-TYOFFLOVSA-N 512.697 5.986 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNC1CCCCC1)CC(=O)CC2 85597447 XLOWTBBTGZGECQ-MUUNZHRXSA-N 609.854 8.149 50 1 KKGF biogenic,in-vitro CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)OCCc1ccc(N=C=S)cc1)[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100958572 JMJGIYCCSJPVKZ-OVHUPFAXSA-N 548.655 6.442 50 1 KKGF COc1ccc(C(=O)Nc2nc(C)c(C(=O)N/N=C3\S/C(=C\c4ccccc4Cl)C(=O)N3c3ccccc3)s2)cc1 103179077 CGKUZGCLGRLNTI-POXWXXNJSA-N 604.113 6.188 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OCCCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCCCOC(=O)CCCCCCCCCCCCCCC 150563028 ACKQJVNZZVHOEN-UHFFFAOYSA-N 897.386 14.775 50 1 KKGF CCN(CC)c1ccc([C@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 150586861 FUMKSAWDQMOONL-ZUBDYPCQSA-N 817.999 10.037 50 1 KKGF C=C(c1ccccc1)[C@@H]1CO[C@@]2(CC[C@]3(C)[C@H]4CC[C@@]5(C)[C@@H](CC[C@@H]5[C@H](C)CCCC(C)C)[C@@H]4CC[C@@H]3C2)OO1 169313920 ZOPPIEXJTMDFHN-HQYKAGLSSA-N 548.852 9.864 50 1 KKGF CCCCC/C=C\C=C\[C@H](C/C=C\C/C=C\CCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1)OO 169621349 JLEGGACLWZYPAC-QSIIOYIXSA-N 705.121 13.553 50 1 KKGF CC(C)(C)[Si](OCC[C@@H]1C[C@@]1(C)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 195401449 SXADWRBTYKWPET-RWBYEFGYSA-N 643.884 8.239 50 1 KKGF CC(C)/C=C(\C#N)C(=O)N1CC(F)(F)C[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 211022235 CBXYWKLJGUCHPH-SZVPOVDMSA-N 561.568 5.349 50 1 KKGF COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(ccc(OC)c3Oc3c(OC)c(OC)cc4c3[C@H](C2)[N+](C)(CCl)CC4)CC[N+]1(C)CCl 238756091 UFXNUZKIUPEJCX-WLRAKEEZSA-N 721.722 8.585 50 1 KKGF CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)c(C(C)C)c1 253637132 DLDHYELLPAFYID-YHBQERECSA-N 597.847 6.817 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2=O 253683272 FRNPSKYQQHGFSD-YXQNXEIMSA-N 589.213 6.860 50 1 KKGF CC(C)(O)[C@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H]3CC[C@H]4O[C@@H]([C@@]5(C)OC(C)(C)[C@H](Br)C[C@@H]5O)CC[C@]4(C)O3)O2)O1 255218968 HYDWCEOUTOROAM-QXBZJQMOSA-N 603.635 5.200 50 1 KKGF C=C(C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 299812242 KOUAFSJVPQQUPD-XSMUGVMDSA-N 588.782 6.824 50 1 KKGF COC(=O)[C@]12CC[C@@H](C(C)C)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C[C@H](CCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299831211 YCPDNTVMOBYVMQ-HOLHDLLUSA-N 776.119 11.258 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@@H](Cl)C(=O)Nc2ccc3c(c2)OCO3)[C@@H]1c1ccc(F)cc1 587324941 VUNGRTUPXUMYII-BOACMQGQSA-N 545.950 5.761 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 587327824 RTISMGCJPHQNCM-PPTMTGTBSA-N 532.055 7.730 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 587369214 FKZXWOHCIFGYPV-XNMGPUDCSA-N 525.985 5.453 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567204 BZYCKEOGBHAIJA-NAKRPHOHSA-N 611.819 6.325 50 1 KKGF COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3c[nH]c4ccc(C#N)cc34)c(CCCl)c2c1 587618196 ONOJDGYINHTIIN-UHFFFAOYSA-N 549.996 5.687 50 1 KKGF COc1ccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 587934823 FQLMFEJTLAVHHJ-UHFFFAOYSA-N 505.306 8.325 50 1 KKGF CCOC(=O)[C@@]12Cc3ccc(F)c(c3C1)[C@@]1(C[C@H]3CC[C@]1(CS(=O)(=O)OC[C@@H]1O[C@@H]1CBr)C3(C)C)N2C(=O)OC(C)(C)C 962703093 FFYYAORPLIGQOJ-RFGGIFMASA-N 686.637 5.007 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2cnc(Cl)nc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963101889 WYTFNXMHYOXRQN-BZKUTMRRSA-N 624.966 7.072 50 1 KKGF COc1cc(F)c([Si](C)(C)C)c([C@@]2(CCCl)N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c1 963184339 RBDAWLBKRBRMCB-UGKGYDQZSA-N 538.441 5.523 50 1 KKGF C[C@H](Cl)C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1[C@]21c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963580689 LJHCGWSPGNQEDR-PTIIMASVSA-N 683.086 6.760 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C)c(Cl)c1)([C@@H](C)Br)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809539 XNEBWPUCSFNDLA-JJCDCTGGSA-N 595.921 6.442 50 1 KKGF O=C(CBr)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(OCc5ccc(Cl)cc5)cc4)c3cc21 1772656954 MLUJQJKMFNMWBV-UHFFFAOYSA-N 583.826 5.452 50 1 KKGF C[C@@H](c1ccc(Cl)cc1)n1nnc2c1NC(=O)C[C@]21C(=O)N(CCCCCl)c2ccc(Cl)cc21 1857570803 RYOKZFFVQXPRPZ-LFPIHBKWSA-N 518.832 5.188 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 2356292301 NXFPZSHTFVSHMR-SPAWATRCSA-N 933.339 9.558 50 1 KKGF CNC1(c2cc(O)cc([C@H](Cc3ccc(O)c4c3CSSC[C@](C)(O)CNCO4)C(=O)C[C@H](O)[C@H](Cc3cc[nH]c3)Cc3ccc(O)c(OC)c3Cc3cccc4ccccc34)c2)CCCCC1 2356299806 HJPVVQBYYCEBCV-ANGYCZIZSA-N 960.272 9.583 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3Cc4c(c(OCCO)cc5c4[C@H]1[C@H](O)[C@H]2O5)-c1ccc(O)cc13 2356357247 REDIEUKDJJCTFM-IBELMZNDSA-N 676.853 6.501 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@@H]3CO)CC(=O)CC2 2356360802 OKVLXVQCRBBOQN-NPXCFAGNSA-N 997.330 9.686 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C)[C@@H]3CC[C@]4(C)[C@H]5C[C@@H](CSSC[C@H](n6ccnc6)CC(C)(C)C6=C7CCCC[C@@H]7C7=C8[C@H](CCC7)C[C@H]5[C@H](O)[C@H]86)[C@@]4(O)C3=CC(=O)[C@@H]12 2356371588 MGKMCZWRZSCJDL-GJIUHYOBSA-N 832.230 7.706 50 1 KKGF CCCCCC[C@@H](O[Si](C)(C)C)[C@H](CCCCCCCCCCCO[Si](C)(C)C)O[Si](C)(C)C 2356482067 HBNCJFAXTOPHAP-IZLXSDGUSA-N 533.075 10.150 50 1 KKGF C=C(C)[C@@H]1CC[C@](C)(O)[C@H](Br)CC[C@@]2(C)[C@@H](Cc3cc(ccc3O)C(=O)O1)C(C)=CC[C@H]2Br 2356527188 YGMMQPFJIJSNBX-DPOPRSRGSA-N 584.389 6.861 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@H](c3cccc4cocc34)CNC(=N)N2)C1 2356770309 JBAHFEDDGNWBLM-XPFBJWTISA-N 880.318 11.716 50 1 KKGF COCCC[C@@H]1CCCC[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@H]1O)OCN2)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC4 2356778078 LWZFDFVYXRCGRF-KOQCKHFKSA-N 919.220 5.590 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1C1=CCN=C1 2356827228 HOMQWDNXEWTGLO-IOUQRWHSSA-N 830.014 5.927 50 1 KKGF C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@H]3CCSS3)[C@H](OC(=O)CCCC[C@@H]3CCSS3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 96924245 SBNMURCHMDQKIX-BYPKMWJRSA-N 709.074 9.298 50 1 KKGF COc1ccccc1OC(=O)[C@@H](C)Oc1cccc(O[C@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)c1 103180534 AHPBFCLYQAEMBT-KBPGCEHWSA-N 554.636 5.655 50 1 KKGF CCC(=O)N1CCCC[C@@H]1[C@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O[Si](C)(C)C(C)(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 195824884 SDDAUTZIHMYSJR-SVYNKPALSA-N 573.979 8.578 50 1 KKGF COc1ccc2nccc([C@@H](O)[C@@H]3C[C@H]4CCN3C[C@@H]4CC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@H]([C@H]3C)[C@@]46OO5)c2c1 253655851 MBAQHIKTOFDTQI-GZMFTREVSA-N 622.759 5.129 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 299830021 LTLNAIFGVAUBEJ-JKDSAVLNSA-N 826.475 6.085 50 1 KKGF Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@@H](Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)NC(=O)OC(C)(C)C)cc1 586932337 NEFKXQUVJIRCBH-INIZCTEOSA-N 719.597 7.010 50 1 KKGF Cc1nn(Cc2ccc(Cl)cc2)c(SCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1C=O 586968090 MERIXOPKKRXXCM-UHFFFAOYSA-N 601.848 8.294 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3ccc(I)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054143 CRJMVHAPKGQBON-OQLLNIDSSA-N 533.200 6.946 50 1 KKGF COc1cccc(-c2c3c(nc4c2oc2ccccc24)[C@@H](Br)C[C@@H](NC(=O)OC(C)(C)C)C3)c1 587358104 OVSQOINIDIAARI-JXFKEZNVSA-N 523.427 6.932 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@@H](Br)[C@H](Br)c1ccc(F)cc1)O2 587385897 WBLVIWOTQZVYSS-NHTMILBNSA-N 551.225 6.616 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(Br)c1 587537630 JHCXXYZPBYKCQY-NZQKXSOJSA-N 518.201 6.024 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)N[C@H](C)Cc1cc(Br)c(F)cc13 587717653 LWCZHDWTJRGDGC-HIBPMPQZSA-N 693.069 7.464 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(CN4CCN(c5cccc(C(F)(F)F)c5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 653775519 JUMNRFYFTNABSJ-XTWORZGJSA-N 602.694 6.614 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)c3cccc(F)c3CCN2[C@H]2CCSC2)cc1 962719016 VCVHAJZQIFZFPD-VLKRCARLSA-N 599.237 7.244 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(N)OC3=C2[C@@]2(CCC3)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 963102943 XNCKAESKVXNEQK-PKTTVKTESA-N 685.824 8.140 50 1 KKGF CN1CCc2c(Br)cccc2[C@]1(CBr)C1CCN(C(=O)OC(C)(C)C)CC1 963290740 YDVFUNQDIFZYLP-NRFANRHFSA-N 502.291 5.174 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCCCCCCl)(c2cccc(Br)c2)N1C(C)=O 963316505 LHABFKNYRAUWON-FOHSLPDOSA-N 857.220 7.685 50 1 KKGF COCc1ccc(C2=C(C#N)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1 1772640095 TYWZWEATVYMKMI-QHCPKHFHSA-N 512.450 5.809 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1ccc(Cl)cc1Cl)CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857603087 KVWIVPXLTJVPOK-YHENHOOPSA-N 660.514 6.900 50 1 KKGF C=C(C=O)CCC[C@@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C 1857626454 HDTJUAYSKZYAMY-LXZHTTJESA-N 702.926 5.285 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@@]35C 2356354589 NBALYTNGTUZSEA-XCLVLKJYSA-N 878.207 6.383 50 1 KKGF C[C@@]12CC[C@H](O)[C@]34[C@H]1[C@]1(C[C@](C)(C#CC[C@@]5(C[C@@H](Cc6ccccc6)CC[C@H]5[C@H]5CC[C@@](C)(CC[C@H]3O)C[C@@H](Cc3ccccc3)CSS5)C(=O)O1)[C@]4(O)CCC1=CC(=O)OC1)NN[C@@H]1CCC[C@@H]12 2356355259 DAYFLJGMYMLYNJ-KSZMBULGSA-N 977.387 9.677 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C=C(c6cc[nH]c6)C[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@H]6CO)[C@H]4[C@H]2O)O3)C5)c1O 2356359844 UDCKWZOFJZUSBC-PBWFFAOVSA-N 858.088 8.708 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356374274 ROGSHOOSHSNFDO-SAAPDSCDSA-N 861.136 8.497 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4[C@H](CNC(=N)N)[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@]34C)[C@H]2C(=C51)CCCC21CCCC1 2356442326 YFAWYFXIRDGKSA-HFYBYRCFSA-N 940.374 8.386 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356534755 QHJUKUNLUXNCHU-PMRBBDSMSA-N 990.387 6.890 50 1 KKGF CC(C)=CCCC(C)=CCCC(C)=CCC[C@@]1(C)CCc2cc(OOc3cc(C)c4c(c3)CC[C@@](C)(CCC=C(C)CCC=C(C)CCC=C(C)C)O4)cc(C)c2O1 2356586053 KLUVLOVWHKMXTO-BCCSUNCUSA-N 791.214 16.242 50 1 KKGF CCCCC1=C(Br)[C@]2(OC1=O)[C@H](Br)[C@H](Br)[C@@]21OC(=O)C([C@H](CCC)OC(C)=O)=C1Br 2356605545 KJJZJKARRMQVGU-JDNIPLTJSA-N 678.006 5.338 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3cccc(CO)c3)[C@H](CC=C[C@H](O)[C@H](O)C3CCC(O)CC3)C2)[C@H]1[C@@H](O)C(=O)O 2356713406 HUNBBHIXGASXDJ-DPLHSJKXSA-N 740.041 5.530 50 1 KKGF C[C@H]1CSS[C@@H]2C=C[C@]34C[C@@H]2C[C@@H]2Cc5cc(cc(O)c5C#CC[C@@H](C[C@@H]23)C[C@@]42C=CC[C@@H](C)C2)Cc2ccccc2CN1 2356768406 NRMLGLTWKIRDSV-XYPBZGQVSA-N 621.956 9.104 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356827690 IOMHUFOOZJEAKK-FVSRTFPCSA-N 597.887 6.122 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356845224 OCPCUFHVVUVWDN-FMZXPZRQSA-N 929.215 5.751 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356847037 OSZLWMHCXLITFG-RXMPXNQPSA-N 827.171 6.887 50 1 KKGF CCCCCCCOc1c(C(=O)N/N=C(\C)c2cccs2)sc(C(=O)N/N=C(\C)c2cccs2)c1OCCCCCCC 49679678 FBWRGDQHYVHWOK-IENBMRAWSA-N 644.929 8.878 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@]45CC[C@H]6C[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSC7(CCCCC7)C7=C(c8cnc[cH-]8)C[C@H]6C[C@@H]7SS4)[C@@H]5[C@H]2O)O3)c1O 150342809 YCXDSVZUGCGEBJ-SICZUSFSSA-N 1041.410 11.507 50 1 KKGF biogenic,in-vitro C[C@H](C/C=C/C(C)(C)OO)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@H](O)[C@@]45C[C@@]35CC[C@]12C 255221822 JTYXNNOTXILRNY-BHYMEYOBSA-N 504.708 5.673 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O[C@H]5CCCCO5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299808088 LESKKKIMBKXTJX-AXVHDPNDSA-N 909.039 6.329 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299810482 ZZMUBGNZEPPZHL-TYIWFGOLSA-N 897.148 7.237 50 1 KKGF CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 587198979 UBXIGBASDXCMQZ-RWYGWLOXSA-N 740.864 7.587 50 1 KKGF C[C@H](Br)[C@]1(c2ccccc2Br)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587539014 UDOLIYBZCPCDOW-MCVWCKRISA-N 504.174 5.795 50 1 KKGF C[C@]1(CCCBr)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962578927 YFCCLWACEMJVGQ-YWEHKCAJSA-N 535.438 5.732 50 1 KKGF CC(C)(C)[C@]1(/C(C#N)=C/Nc2nc(-c3ccccc3)cs2)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962636848 JXTPSLJCBQJAAK-FQBDZNIFSA-N 537.689 6.218 50 1 KKGF COc1ccc2c(c1OC)[C@](c1ccc(C(C)C)cc1C(C)C)([C@@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962671511 DQVMLLSSWIJHDN-XFSFLGPDSA-N 588.110 8.539 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@](c1c[nH]c3ccccc13)([C@H](C)Br)N2C(=O)OC(C)(C)C 962707977 LUOYWKBTDZQAPL-JMUVHQMNSA-N 557.460 5.985 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(Br)cc2F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963087707 BDWMGDYQXBTOSM-QWOOXDRHSA-N 685.431 8.530 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCl)(c2cc(C)n(Cc3ccc(F)cc3)c2C)N1 963174318 RHTRDHLMRHWZFZ-KWLHKINFSA-N 699.270 8.055 50 1 KKGF O=C(O)[C@@H]1Cc2occc2[C@@](CCCCCCCl)(c2cccc(Br)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963184826 AMJOFRUFYBYOIE-MFACQUFMSA-N 663.008 8.735 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccccc1)(c1ccc(CBr)cc1)NCC21CCOCC1 963191419 ONIKJZWSYPBYLO-MUUNZHRXSA-N 508.456 5.542 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CCCCCCCl)(c2ccc(I)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963223731 LZCYCAVGDPBBMX-DWEWYUIOSA-N 826.040 8.507 50 1 KKGF COc1cc([C@@]2(CBr)c3cc(OC)c(OC)cc3CCN2C(=O)C(=O)c2c[nH]c3ccccc23)ccc1F 963779504 VYGGOLOWEPTYTD-LJAQVGFWSA-N 581.438 5.239 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1ccc(C)c(C)c1 963841479 PKLVBVLOQAGMAM-RLWLMLJZSA-N 502.449 5.887 50 1 KKGF Cc1cccc2c1[C@@](CBr)(c1ccc(OC(F)(F)F)c([N+](=O)[O-])c1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963904090 ONMYIBIXFCVJGV-MZNJEOGPSA-N 603.388 6.077 50 1 KKGF O=C(c1cccnc1)N(/N=N/c1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc([N+](=O)[O-])c(C(F)(F)F)c1 1772586470 ZTMUUHNOSALWCV-ZQHSETAFSA-N 528.325 6.281 50 1 KKGF COc1c(OCCCCCCBr)cc2oc3cc4c(c(O)c3c(=O)c2c1CC=C(C)C)C=CC(C)(C)O4 1857596547 YEDKKLADLONRCR-UHFFFAOYSA-N 571.508 7.687 50 1 KKGF CC1=C(CCCCO[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C(=O)C(C(C)C)=CC1=O 1857629816 LXLMGFMCWXAWQG-VESGANSKSA-N 502.648 5.432 50 1 KKGF COc1cc(N[C@@H](C)CCCNCC2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(F)cc1 1857762855 SMPVBYRPUWVUJF-RXUYXMHNSA-N 645.816 8.169 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@@H]5CCC[C@]5(C[C@H](O)CO)CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356300021 JQOYJEBCGVJPKL-QQOTXXSSSA-N 970.267 8.073 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNc7cc(ccn7)CC3=C5C(=O)O6)[C@H]42)CCCC1 2356313478 BIVDNPGHZCPBDL-BFWCUJQBSA-N 730.009 7.983 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1CC[C@@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356358878 YZKKRZDPJVIPEV-DDEQKINUSA-N 545.859 6.366 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)C[C@@H]3C=C[C@H]4[C@@H]5CC[C@H](C(C)=O)Nc6c(CO)cc1c(c65)[C@H]3[C@@H]4CO)CC(=O)CC2 2356362355 FLAZJTUKYYZSBK-VZAGCEQDSA-N 979.271 8.881 50 1 KKGF CCCCCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC3)c1 2356364489 VEZOGQFECMNUIM-WMLXEGDOSA-N 668.026 7.083 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]2[C@@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]3(CC#C[C@@H]2NC(=N)N1)CCCC1(CCCC1)C3)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@@H](O)CC5 2356380254 XVXHWAIPLDXFTI-NTZMLPDMSA-N 901.205 6.108 50 1 KKGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)CCCCCCCCCCCCCCCCC)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356453127 OWDZZJZXKWBZCR-LHCGHRQMSA-N 644.890 8.053 50 1 KKGF CO[C@]1([C@H](C)C(=O)OC(C)(C)C)CC(=O)C(C)(C)[C@@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1 2356705920 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WBPSCDJASMDGFY-JCOAXYOVSA-N 592.787 6.037 50 1 KKGF O=C(C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1)OC(=O)C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1 36330293 KLAQRURMKQJURT-ROJLCIKYSA-N 576.693 5.699 50 1 KKGF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43076430 SOXYVVNBBZZNOW-JRFQZHANSA-N 534.701 5.403 50 1 KKGF C[C@H](CCC(=O)N/N=C/c1cccc(Cl)c1)[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 49853403 HTVNQKXISQBBOD-PETHVLMXSA-N 545.164 5.168 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]2[C@H]1CC[C@H]1SSC[C@H]3CCC[C@H](C3)Oc3cc(ccc3O)C[C@H]12 85597205 LVXQVHGFMPQXBZ-SGYGAVOBSA-N 707.911 7.552 50 1 KKGF biogenic,in-vitro COc1cc([C@@H]2c3cc4c(cc3C=C(C=O)[C@H]2C(=O)OCCCCCCBr)OCO4)cc(OC)c1OC 95573508 YFXVEFUIYSDKCQ-CLJLJLNGSA-N 575.452 5.284 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Cc3cc(CO)c(CO)cc3C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297114 BPMJURQYLSKLOI-JQZOAKIHSA-N 698.894 6.257 50 1 KKGF COc1ccccc1[P+](Cc1ccc(Oc2ccc(C[P+](c3ccccc3OC)(c3ccccc3OC)c3ccccc3OC)cc2)cc1)(c1ccccc1OC)c1ccccc1OC 195520137 MCPTUSHESSISHP-UHFFFAOYSA-N 900.989 10.519 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OCCC[C@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@]1(C)CC/C=C(\C)[C@H](O)C/C=C(\C)CCC=C(C)C 238766078 JELCKWIUSSGOOT-WSGVMQKYSA-N 741.195 13.424 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@]5(C)[C@H]([C@@H](C)CCC(=O)OC)CC[C@H]5[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 299846139 UTKPRIKDCHAYJZ-YPQCADPRSA-N 662.861 7.221 50 1 KKGF Nc1ncc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c(-c2ccccc2Cl)n1 587061723 XVMYBOJGXREEBC-UHFFFAOYSA-N 526.716 7.342 50 1 KKGF CC[C@H](C)[C@@H](NC(=O)CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 587204794 LNPZUMGBDMHCDD-IHIZEJFGSA-N 657.662 6.242 50 1 KKGF Cc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CCCC4)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587373092 KYVBOXSWAFNRKA-NSJVFKKDSA-N 576.089 7.260 50 1 KKGF COc1cc2c3c(c1)O[C@@](CCl)(c1cc(C)n(-c4ccc(Br)c(C)c4)c1C)[C@@H](C2)C3=O 587413332 MVCANVWUFKSLBD-CPJSRVTESA-N 500.820 6.055 50 1 KKGF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1P(c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)CC2=O 587490214 WLWCRVGSXKMWBU-RRHRGVEJSA-N 751.001 11.017 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)CCCC2 587620049 WONZFAADCHGLLV-YZNIXAGQSA-N 546.044 6.415 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 587674432 WPDVJVDKLWBUAU-WWYLAXTRSA-N 524.110 5.914 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N1 587710977 IITVOCACBYKTFU-XYZCENFISA-N 549.122 6.799 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](c2ccccc2)(c2ccc(CCl)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962399549 CSHSKQKBVVBBOY-ZLHGTEGGSA-N 601.102 7.373 50 1 KKGF COc1cc2c(cc1OC)[C@@](CSC(=Nc1ccccc1)NNC(=O)CN1c3ccccc3Sc3ccccc31)(c1ccc(Cl)cc1)N(C)[C@@H](C)C2 962625671 JTMWCXDUNQUFRW-AVCSGNNYSA-N 750.390 8.822 50 1 KKGF CC(=O)Oc1ccccc1[C@]1(CCCCCl)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963066099 GSMZYGGJIWFRSW-AKOVUPKNSA-N 585.097 5.743 50 1 KKGF CC(=O)OC[C@@]1([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)c2c(F)cccc2C[C@@H]2CCCN21 963106242 JYYYFVGWSIKZRC-JVQOESEBSA-N 616.601 6.222 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2cc(C)n(CCc3ccc(OC)c(OC)c3)c2C)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948678 WTVQOUXTUPQQGB-MHAMIHRHSA-N 795.468 6.984 50 1 KKGF Cc1ccc(-n2nncc2CN2C(=O)[C@@]3(C(C#N)=C(N)Oc4c3c3nc5ccccc5nc3c3ccccc43)c3ccccc32)cc1Cl 1772584903 YMSBTIQNVONFEC-DIPNUNPCSA-N 647.098 6.398 50 1 KKGF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCCNC(=O)/C(C#N)=C/c5cccc([N+](=O)[O-])c5)CC[C@]4(C)[C@H]3CC[C@]12C 1772625276 GIGRNDBNWQWIKO-SRCKYBTLSA-N 602.732 5.881 50 1 KKGF CCCCCCCCCCCCCCCCCCO[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCCSSCCCCCCCCCCCCCCCC 1857608558 QLCGHTNRMOZCPW-VPBOGYLZSA-N 856.322 15.122 50 1 KKGF CCCC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356364040 OVXWWXYOSUNMBZ-HRCFBMEDSA-N 804.091 9.206 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4C[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@@]34C)[C@@H]2C(=C51)CCCC21CCCC1 2356364597 ZMPDNFZALLLMHE-FWHUDYDJSA-N 869.291 9.677 50 1 KKGF CC1(C)[C@H](Br)CCC(=CI)[C@@H]1CC[C@]1(C)[C@@H](Br)CCC(=CI)[C@H]1Cc1cc(I)cc(Br)c1O 2356798956 TUNPYABDHNSBNC-BUQHWBFDSA-N 980.965 11.099 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)C[C@H]2C=C[C@@]1(C3)OC(=O)[C@]1(C)O[C@H]1CCC1=C[C@@H](NC(N)=C1)C1=C[C@@H](Cn3cc4cc[nH]c4c3)NC(N)=C1CSS2 2356829419 IYFAXPIGOVAGTL-VKHPIAEPSA-N 808.983 5.194 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C=C(NCSS[C@H](CCCO)[C@@]56C(=O)c7c(cccc7C(=O)[C@@H]5C=C(Cc5cccc(CO)c5)C=C6O)O[C@H]5O[C@@]6(CO)CC[C@H]([C@@]41C2)[C@@](O)([C@H]5O)[C@H]6O)NC3 2356850456 PQDPJTXFXVUFGZ-NUYLQSLISA-N 983.215 5.114 50 1 KKGF CC#Cc1nc(C)cn1C(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 71296455 IHKXUTQSNSLDKB-GGWPRHRGSA-N 593.812 7.423 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@H](CC/N=C(\N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 85627363 IRYNUMWWXVTTHH-SJQXRXFRSA-N 769.087 7.134 50 1 KKGF biogenic,in-vitro CCOc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(OC(=O)CCCl)c(OCC)c2)ccc1OC(=O)CCCl 103277632 ZJWVTUKFWUMRFK-NXZHAISVSA-N 577.457 5.808 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@@H]1O)[C@@H](O[C@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 150347712 TVIHWJYNGLYMIW-SWNVCXATSA-N 887.174 8.885 50 1 KKGF biogenic,in-vitro C[C@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)c2[nH]1 586974282 UVRVFNRFYAGYOE-CYBMUJFWSA-N 520.324 7.020 50 1 KKGF O=C1c2ccccc2[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2cc(CBr)ccc21 587319818 DCOVSHBTYCPCLV-GGXMVOPNSA-N 529.361 6.273 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H](Br)[C@H](Br)c1ccccc1)[C@@H](C2)C3=O 587414925 PQUKJXIUVXDQNE-MCWSDJLFSA-N 528.240 6.238 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@]3(C[C@@]21C)Oc1cc(OC)cc2c1C(=O)[C@H]3C2 587424907 XREBWOYPWBMWMV-SVQPESRPSA-N 639.160 6.327 50 1 KKGF CC[C@@H](C)c1ccc2[nH]c([C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)C=C[C@]6(C)[C@@]5(Cl)[C@@H](Cl)C[C@@]43C)c(OC(C)=O)c2c1 587638963 LENGTQZOPIBTFB-BDHMQGEOSA-N 584.584 7.681 50 1 KKGF CCc1cc([N+](=O)[O-])c(OC)c([C@@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587672025 CJVQKHAZQIEMKN-YBTHPKLGSA-N 516.205 5.240 50 1 KKGF CCOC(=O)/C(=C(/C)Nc1ccc(OCC)cc1)[C@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21 587689888 XOSJWAGGYXLAGL-ITNNGKGQSA-N 539.873 5.904 50 1 KKGF Cc1c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccc(Cl)cc12 587851202 BHCZADSKZKQRIM-CFMSYZGJSA-N 517.689 6.937 50 1 KKGF COc1ccc2c(c1)[C@](CC(C)C)([C@@H](Br)[C@H](Br)c1ccccc1)N(C(C)C)CC2 962095730 ZUKIGZJQQCFTCK-DSNGMDLFSA-N 523.353 7.103 50 1 KKGF Cc1cc([C@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1Cc1ccc(F)cc1 962566074 DTNVFWPDUKOCMW-MMEOBGCCSA-N 650.150 7.430 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@@H](C)Cl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962629115 RKCYQTMWOLHJOU-MLEOTOBYSA-N 617.089 7.015 50 1 KKGF COc1ccc([C@@]2(CCCCCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1 962962894 DDHHGWQDIKCQBF-JOZUDPJUSA-N 612.506 5.960 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCl)(c2c(-c3cccc(Cl)c3)[nH]c3ccccc23)N1C(C)=O 963300627 FZCFQEPZAZAUGV-FKRUJGIUSA-N 857.769 7.774 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCCCl)(c2ccc(C)cc2)N1C(C)=O 963302361 MUHPJJRMISXYKK-BMQPFVSWSA-N 750.270 6.061 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857558378 YTXJFJLBKSPXID-MRXNPFEDSA-N 571.480 7.165 50 1 KKGF CC(=O)Oc1cc2c(c(C)c1OC(C)=O)CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](O)(N=C=O)C[C@H]4[C@]3(C)CC[C@]12C 1857755048 OGMHHKCDDSYVIQ-JIAMHOQESA-N 535.681 6.017 50 1 KKGF CCCCC[C@H](C)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356292275 MUOGCCZSVYDGMR-QJXUSJBISA-N 874.226 11.012 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356310743 HPQIQNHBGAQRGO-VAZJLWTISA-N 983.399 10.212 50 1 KKGF C=C(C=CC=C(COCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356360510 HKWUNYJIRFIFHL-LMFGVZTHSA-N 813.133 6.480 50 1 KKGF COCCC[C@@H]1CCCC[C@]12CC#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@H]1Cc3c4cc(c(c3O[C@@H]1O)OCN2)CC#Cc1c(ccc(O)c1OC)CCC(=O)C[C@H](O)CC4 2356362955 GOHRRKBBLYFFGZ-HPSIPYHKSA-N 903.221 6.270 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]2([C@@H](C)O)C#C[C@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@@H](CCN4)Oc2cc(c(CO)cc2O)C[C@@H]31 2356364262 RQGBVMZVMGKQFC-IFEPOZEBSA-N 884.263 6.064 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CC[C@]7(CCCC78CCCC8)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356366238 COJHEZAKCBORHS-NJXGLASDSA-N 885.151 7.403 50 1 KKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO[C@@H]5CC[C@]6(C)C(=CC=C7[C@@H]6CC[C@]6(C)[C@@H]7CC[C@@H]6[C@H](C)C=C[C@H](C)C(C)C)C5)CC[C@]4(C)[C@H]3CC[C@]21C 2356404215 HIRVNRFYRHBEHL-ZIHKRZOFSA-N 791.302 15.639 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356469652 VTEIWAHVQKZCHP-UYEJSPBUSA-N 907.246 7.153 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCCO)CSSCO4)[C@@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356670051 YHOVGEDRLIFPDK-SPSMVUFTSA-N 800.989 5.505 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356731465 OKDFDEFIZYEHIN-MLVCIVHNSA-N 859.212 8.956 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@@H](O)C5 2356774256 UGEQXQQTYQVGHZ-JWMFAPSOSA-N 908.277 7.387 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=C[C@H]3C=C[C@@]4(CCC[C@@H]5[C@H](O)C[C@@H]6[C@H](CCC67CCCC7)CSSC[C@@H]3N54)[C@@H]2[C@@H]1C 2356810933 BCSCQZNVNIKJSO-MJNWXRSXSA-N 611.870 6.736 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@]1(Cn3ccnc3)CCN[C@@H]3NC=C2C=C31 2356819193 DZXGPXWWFSWXMV-IOIPYLHSSA-N 618.825 5.534 50 1 KKGF Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NN)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 49599741 HPZPQXBIIPRIRD-JVHARYPTSA-N 681.963 7.261 50 1 KKGF O=C(c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1)C(Br)Br 49784654 YMFAPICYRIGBPP-JQBYJRRVSA-N 551.234 5.382 50 1 KKGF COCC/C(SC(=O)O[C@@H](C)Cl)=C(\C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC)SC(=O)O[C@@H](C)Cl 72124696 IKNUGTAJXWGHAL-WEAKYYOMSA-N 729.830 9.249 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@H]6COC[C@H](CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 85511365 RUIXHNSGFOBLOG-NCRGCPCESA-N 768.947 5.752 50 1 KKGF biogenic,in-vitro CC(C)[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1)NC(=O)[C@H](NC(=O)c1ccc2ccccc2n1)C(C)C 95545729 IBIIROXZGLAPGA-VEGQPAGDSA-N 793.969 5.614 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H]1N[C@@H](CCC3(O)CCCCC3)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 150347648 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CC[C@@H]1C#C[C@@H]2C=C[C@@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5c[cH-]cn5)c5ccnc(N)c5CSSC[C@H](CO)[C@H]4O)c3)C[C@@H](O)[C@H]2[C@@H](O)CCCC1 85631703 JWHVERXOYZSGDL-DGZICKATSA-N 747.016 6.113 50 1 KKGF biogenic,in-vitro CCOP(=O)(OCC)[C@@H](NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C 95582785 GOVMIRDVRUYVCU-JGCGQSQUSA-N 554.672 7.379 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCCCCCl)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 103295771 PWHWBHISQZPCOY-LULZRBEKSA-N 563.263 7.682 50 1 KKGF S=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1SSc1ccccc1NC(=S)Nc1ccc(Cl)c(Cl)c1 473144307 ANVMXHYYVCFGAU-UHFFFAOYSA-N 656.538 10.717 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cccc(OCc4ccccc4)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055165 KGQPRGWWBFLMMJ-PXLXIMEGSA-N 513.428 7.920 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Cl)ncnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191696 VKPRDXISWOKBBI-XPJLVOMASA-N 598.188 6.038 50 1 KKGF O=C1C[C@@](CBr)(c2c(Cl)ccc(Br)c2F)Oc2c1ccc1c2CCCC1 587504396 JCRYAYYMHVJNAM-HXUWFJFHSA-N 502.605 6.376 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(C(F)(F)F)ccc1Cl 587544653 FMWGYJAIJWIZPM-WIYYLYMNSA-N 513.693 6.316 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccc(Cl)c(Cl)c2)([C@H](Cl)C(=O)c2ccc(Cl)c(Cl)c2)N1 587686275 CCUZPTBSVSJTLP-QQMRPKJKSA-N 610.565 8.470 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C2\NC(=O)c3ccccc3N2)(c2ccc(Cl)cc2Cl)N1 587694570 MFJDDSMUCCZZHL-VJXIGDTGSA-N 572.265 6.263 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCN(C(=O)C(F)(F)F)C3)N1 587709035 HKBNCRZJRDMHJS-XUSGNXJCSA-N 519.764 5.052 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(OC(F)(F)F)cc4)cc3F)ccnc2cc1OCCCN1CCCCC1 653705995 JDMDBNJSOZAONY-LALXJTNGSA-N 655.649 7.484 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(c1cccc3c1OCCO3)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962701086 JKDXURKRKIHHQE-HHHXNRCGSA-N 592.408 5.831 50 1 KKGF FC(F)(F)c1cccc2c1[C@@](CBr)(c1c(Br)cccc1I)NCC21CCOCC1 962958706 OLDSZJRLZZOVIS-FQEVSTJZSA-N 645.095 6.362 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CBr)c1cccc(OC(F)F)c1 963067935 HMYBMHJLMSYTQT-NOMHHCBYSA-N 595.437 5.405 50 1 KKGF C[C@H](Cl)[C@]1(c2ccc(NC(=O)C(C)(C)C)cc2)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963069261 SORBZOGNIWLCKS-FRBSVYKRSA-N 598.140 6.021 50 1 KKGF CN(C)C(=O)c1cc2c[nH]c(=Nc3ccc(C(=O)NCCCCCCCN=C=S)cc3F)nc2n1C1CCCC1 1857544110 JYNYRSICWVGSBY-UHFFFAOYSA-N 565.719 5.336 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](N3CCN(C(=S)SCc4ccccc4Cl)CC3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857560372 ZMIPDTGREVFHRI-MLKZTIBOSA-N 553.190 5.684 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5ccc(=O)oc5cc1O2)[C@H]43 2356302720 RPSXSSMBPWATBY-BSOOPQGYSA-N 669.825 5.359 50 1 KKGF CCCC1=C2OC(=O)C3=C2[C@H](CC1)C[C@@H]1[C@H]2CC[C@@]4(C5=CC[C@@H](C)CSSCNc6cc(ccn6)CC2=C4C(=O)O5)[C@H]31 2356309308 WJOAJRATHFWQIH-DZSRLDRQSA-N 602.822 7.516 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@@H]([C@@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356367062 VQPOSIJMTDFNAE-WLURRDOOSA-N 810.985 6.874 50 1 KKGF CC(C)=CCC[C@H](C)[C@@H]1C2=C([C@@H]3C[C@@H]3[C@H](C)C[C@@H]1O)[C@H]([C@H](O)[C@@H]1C(C=O)=CCC=C(C)C[C@H](O)[C@@H]1[C@@H](C)CCC=C(C)C)OC2=O 2356557270 IEWUYJSHCSXBOC-FKDIBFHNSA-N 636.914 7.446 50 1 KKGF CC=C(CCO)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356589199 SQSSRBSSTYATII-MHXHARTQSA-N 703.883 5.193 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H]([C@H](CCCO)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@@]3(C)[C@@H]21 2356667942 XDUQAHOQCDXXEG-BKHPTDPJSA-N 956.370 6.276 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356742924 KLZLKFKXEWUJBL-LKHIKQGRSA-N 978.324 6.234 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356824800 GYXHHVMBCVKXEA-NAXCQTIJSA-N 823.139 6.121 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@H]([C@@H]3CNC(=O)C34CCCC4)C1)O2 2356827798 IPOFOYZGPRFLCG-ZDIGBXRZSA-N 922.041 5.036 50 1 KKGF CCCCC[C@@H](C[C@@H](CCc1cc(OC)c(O)c2c1CSSCN[C]1C=C(C=CN1)C2)OC(C)=O)OC(C)=O 2356849458 FOQFWLURLSHAGS-BJKOFHAPSA-N 577.789 5.685 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)OC 26473630 VFHPNAZHTGNJLW-GXQRLMRTSA-N 557.728 5.062 50 1 KKGF O=C1[C@H](Cl)[C@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O 49850501 OVBLSEULFQICCP-RTWAWAEBSA-N 630.311 5.377 50 1 KKGF NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@@H](c3ccc(Cl)cc3Cl)c3c(O)nc(CCl)nc32)cc1 66102795 CUXGSAOSVBSRBW-HXUWFJFHSA-N 565.866 5.166 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@@H](OCNC1CCCC1)CC(=O)CC2 85597446 GJJPOOWZUMOTFS-HHHXNRCGSA-N 595.827 7.759 50 1 KKGF biogenic,in-vitro O=C(CCCC[C@@H]1CCSS1)NCCCCNc1c2c(nc3sc4c(c13)CCCC4)CCCC2 98084420 OTQGJOPBSNNRAF-LJQANCHMSA-N 517.830 7.076 50 1 KKGF C=C(/C=C/C=C(/CCC=C(C)C)COC(C)=O)[C@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O 238740868 KPFIRSWIEJGVNZ-OBEYJFFASA-N 528.730 5.541 50 1 KKGF O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCOCCOCCOCCOCCOCCOCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587046030 SMVUTSKEBYAVPW-JCGRVDTESA-N 856.772 5.467 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 587672787 HWSOLLQRZRSDID-FYSMJZIKSA-N 519.252 6.340 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962629105 RKCYQTMWOLHJOU-HQWOYNLESA-N 617.089 7.015 50 1 KKGF CCCCCc1ccc([C@]2(CBr)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)cc1 962963336 XTNNCVQJNQCAJA-VWLOTQADSA-N 510.438 6.728 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@]2(N1)c1ccccc1OC[C@H]2Br 963157400 LHEMAXAZHXLONC-ZYPDKHHRSA-N 646.585 6.366 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1ccc(Br)cc1)[C@H](Br)c1ccccc1 963612033 RXBNQVCMCAXCIX-CSKMKTBNSA-N 531.288 6.380 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc3c(c1)CCN3C(C)=O)([C@@H](C)Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963732521 UPRYQTYCRBIMAK-ASPBEGMCSA-N 586.088 5.233 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(C)[C@@H](Cl)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(Cl)nc21 963915824 QEABVMFWUWSLHC-HFZDXXHNSA-N 632.436 7.932 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(COC(=O)c2ccccc2S(=O)(=O)NC(=O)Nc2nc(C)cc(C)n2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963928047 HZBUUKAHPRDBRE-VTTHGXETSA-N 900.502 5.032 50 1 KKGF COc1cccc(NC(=O)C[S@](=O)c2nc3cc(OC)c(OC)cc3c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)[nH]2)c1 1857550651 IBFGWFIRKAQRNX-ILLCYOTFSA-N 612.495 5.411 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCC(C)C 1857596236 BJQJLTOEZBTJLA-GIEABIOQSA-N 659.944 9.516 50 1 KKGF O=C(CCl)Nc1ccc(-n2nc(OCCOc3ccccc3)nc2-c2ccc(Cl)c(Cl)c2)cc1 1857751238 PZNHWTAIGLUOMY-UHFFFAOYSA-N 517.800 5.876 50 1 KKGF O=C(COc1ccc(N2C(=O)CS[C@H]2c2ccc(Br)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911580930 SCYLXKNQUJNENA-JNJSFVDUSA-N 699.631 5.465 50 1 KKGF COc1ccc2c(c1OC)CO[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1[C@H](CN=C=S)c1ccc2c(c1)Cc1ccccc1-2 1911586846 LRXRVELYEHSDOW-DMOWINQSSA-N 634.754 7.027 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c(OC4CCCC4)c3)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@@H](O)C2)CC3=O 2356304877 GIYDNSQLIPTHND-KFHUGMANSA-N 905.285 8.778 50 1 KKGF C=C(C=C1C=C[C@]2(CC[C@]3([C@H](CCCO)C(=C(C)C=O)CC[C@@]3(C)O)[C@@H]2O)C(CO)=C1)CCC=C(C)C 2356349425 FGKVAKLXRFDDLY-OPUWLFLUSA-N 510.715 5.280 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@@H]1c1cc[nH]c1 2356857064 SGGADGQFJHWELB-DSQSIBRDSA-N 872.031 5.902 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](O)SS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356864560 VWGZAPLUDCRQBJ-TWEODUSOSA-N 850.116 7.936 50 1 KKGF COc1ccc([C@](C#N)(CCCCCN2CCc3cc(OC)c(OCCCl)cc3C2)SC2CCCCC2)cc1OC 26251959 QWYKNGNJCDCWLF-MGBGTMOVSA-N 601.253 7.733 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3ccc(F)cc3)c2c1 72173197 JGOXSDXUBGJCPY-UHFFFAOYSA-N 513.404 6.441 50 1 KKGF CC(C)(C)c1ccc(Cn2nc(-c3ccc(Cl)cc3)cc2C(=O)N/N=C/c2ccc(F)cc2F)cc1 73296340 QAPLMRVZDCAGNW-KPGMTVGESA-N 506.984 6.591 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171157 QSVJJFGGTNOGQD-PNIUZAESSA-N 618.920 5.762 50 1 KKGF CC(=O)O[C@H](CC[C@](C)(OC(C)=O)[C@H]1CC[C@@H]2O[C@H]([C@@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@@]2(C)O1)[C@@]1(C)CC[C@H](C(C)(C)OC(C)=O)O1 195910605 XAJJUEHMJGKPKD-WLXKCOOASA-N 731.762 6.896 50 1 KKGF Cc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1O[C@H](C(C)C)OC2 210373119 DDYAACXWCNUPAR-ANFMRNGASA-N 743.868 9.269 50 1 KKGF CO[C@@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(cc(OCC(=O)N(CCCl)CCCl)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C 253647129 PTYVCIVEJQEWFZ-NYBGGQOVSA-N 879.828 5.734 50 1 KKGF CCCc1cc(OC)cc(O)c1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)/C=C/[C@H](C)C(C)C)[C@@]34C=C[C@]2(C1)OO4 255272977 VHFKNSGHCDZIJC-FJFSQBTASA-N 620.871 9.005 50 1 KKGF CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(c4nc5ccc(C(=O)NN)cc5[nH]4)CC[C@]3(C)CC[C@]21C 586899840 TXIKYPLMKXPJFP-CNAUVPCVSA-N 600.848 6.759 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586973392 JOODJOFNCRHFRS-VIFPVBQESA-N 520.159 8.030 50 1 KKGF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587108386 POVSCUOSGRPLHT-CQSZACIVSA-N 600.351 7.527 50 1 KKGF N#C/C(=C(\c1ccc(F)cc1)N1CCCCC1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332155 JESBPVVIONYLPG-ZTEKPPDYSA-N 534.990 6.428 50 1 KKGF C[C@@]1(c2ccc(NC(=O)CI)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339018 QYDWIDCCEJITAZ-VWNXMTODSA-N 531.321 5.179 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(-c3ccc(Br)cc3)c1C)CC2=O 587457964 OVSPZWSGTAPWEH-RUZDIDTESA-N 502.836 6.614 50 1 KKGF CC[C@H](c1ccccc1)[C@@]1(c2ccc(OCCCl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587541934 DUNLRFZPLGEQLH-KSWBWTIQSA-N 515.005 7.061 50 1 KKGF COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)c1 587543048 ILJAHDOJOBBJHL-NEEKEDPPSA-N 576.001 5.469 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C(=O)c1cc(Cl)c(NC(=O)CCl)cc12 587683457 HEMGHUVGWKPTEU-XELLLNAOSA-N 548.239 5.789 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587685599 ACFSLXZECFRESS-SXBQZSJRSA-N 519.842 5.799 50 1 KKGF COc1ccc(C(=O)[C@H](Cl)[C@]2(c3ccc(OC)c(OC)c3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1OC 587689189 QQTWLQMIRJELCN-ZXOINBKBSA-N 592.889 5.891 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(I)c2)N1 587736798 BZHUVTZENLMDCG-QGHHPUGFSA-N 539.024 5.366 50 1 KKGF COc1ccc(Cl)cc1C#CCc1cc(OCC[C@H](C)CCCC(C)C)c(CBr)cc1OC 587898740 PNIDDPVCMKKQLT-OAQYLSRUSA-N 535.950 8.078 50 1 KKGF Cc1cc([C@@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1Cc1ccc(F)cc1 962566047 DTNVFWPDUKOCMW-BYYXFNHRSA-N 650.150 7.430 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)c(OC)c3)N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962769576 SGNFLRYABDTIAU-GHKAFPQUSA-N 622.434 5.257 50 1 KKGF O=C1C(N=C2C=CC(=C(O)NCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)C=C2)=CC(=O)c2ncncc21 1772584642 ZDFPTESMMWXLIX-UHFFFAOYSA-O 597.635 5.050 50 1 KKGF COCCOc1ccc(NC(=O)N(O)[C@@H]2N(c3ccc(Cl)cc3)C(=O)N(CC(=O)N/N=C/C=C/c3ccc(C)o3)C2(C)C)cc1 1772643552 FOONOXQJJVQMEB-YXNIHHNDSA-N 639.109 5.352 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCCCCOC(=O)c4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@H]21 1772656267 OGSDNILTOHKJDC-UMSFTDKQSA-N 647.647 7.490 50 1 KKGF COc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 1857618837 ZJFVRVLSUOVUAQ-LHGWWSMPSA-N 596.083 6.335 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5CC[C@@]4(C)[C@@]3(O5)[C@@H](Br)[C@@H](Br)[C@@]21C 1857624114 XRRHDGKBIMJRKD-YFHRWVRFSA-N 546.384 6.503 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(COP(=O)(OC[C@@]3(C)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@]64OO5)Oc3ccccc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857650740 NBVZDLMRIYQRKB-XNBONBSISA-N 706.766 7.216 50 1 KKGF CCCCCCCCCCCCCC[C@@H](C)[C@@H]1OC(=O)[C@H](CC(=O)NC2CC2)NC(=O)CN(C)C(=O)C=C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)NC(=O)[C@H]1C 1857745790 XYJSCNAYZXIXIS-SZKRDXLCSA-N 887.292 7.505 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](c2cccc(O)c2)SSC1 2356307151 ZEFUYPXEFILTJV-UEBLOBKPSA-N 604.794 7.212 50 1 KKGF CCCCCCCC[C@H]1CC2=C(C[C@@H](CCCC=CCOC(C)=O)CC(C(=O)O)=C1C(=O)O)C(=O)OC2=O 2356496975 VBECZCIXKOXEHS-RTWAWAEBSA-N 532.630 5.289 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](O)C3CCCCC3)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356519705 MPDXWROKPVNXFQ-WHCIGTMISA-N 975.331 10.569 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](CCCSS1)[C@@H](O)CC(=O)CC2 2356773406 YMTWOTBOXWKPHH-YKQNXRHISA-N 524.704 6.806 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)[C@H]4CCC[C@](CC)(C#C[C@@H]3C=C12)C1(CCCC1)C4 2356815087 CORPGZLJPORTQS-ANYLRARMSA-N 928.315 7.912 50 1 KKGF CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 28635760 GTNWJJTZQLWLEN-CCNIBDGSSA-N 739.778 10.220 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CCC(C)CC1)OO5 44069844 SXFNSYBNGDDIAZ-XTEGXTSGSA-N 590.798 7.289 50 1 KKGF O=C(c1ccccc1F)N(/N=N/c1ccc([N+](=O)[O-])cc1Br)c1ccc([N+](=O)[O-])cc1Br 72139693 MCHDOUWVGXMHDF-WCWDXBQESA-N 567.125 6.513 50 1 KKGF C[C@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H](CCCCO)[C@@]52CC4=O)CCNC(N)=N3 85549400 GWJSDUXDZTYTMQ-BWUPHFNMSA-N 589.912 5.765 50 1 KKGF biogenic,in-vitro CC[C@H](O)[C@H](CCCO)Oc1cc(O)cc2oc(-c3cc(CC(C)C)c(O)c4c3CSSC[C@H](NC)c3cccc(c3)C4)c(O)c(=O)c12 85569341 IQNWLTVCUCVSKE-DTXPUJKBSA-N 695.900 6.812 50 1 KKGF biogenic,in-vitro Clc1cccc(Cl)c1CNCCCCCCCNCCSSCCNCCCCCCCNCc1c(Cl)cccc1Cl 169328148 MLQRHTNHUVLSRY-UHFFFAOYSA-N 696.726 9.641 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Br)c3ccccc3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)cc1Cl 169368623 HFOAOOZWWATFPH-RCEMTVSKSA-N 736.100 5.091 50 1 KKGF COc1cc(CCN(C)C)c2c(c1O)SSc1c(CCN(C)C)c(SC)c(OC)c(OC)c1SSc1c(CCN(C)C)cc(OC)c(O)c1S2 197761234 JUOPRNFQULQJQO-UHFFFAOYSA-N 800.194 8.230 50 1 KKGF Cc1ccc(/C=C(/C#N)c2nc3cc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)cc3[nH]2)cc1 587187322 DSUIZJOPRBNOFN-ZDLGFXPLSA-N 513.509 6.218 50 1 KKGF Cc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1F 587190696 MVEFDIQUYJVDKU-PBNKNIQMSA-N 593.784 7.042 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cnc(Cl)[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191784 XNMBTKUMYQFWIL-UMYXXBNDSA-N 598.188 5.990 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(F)cc2Br)[C@H]1c1ccc(F)cc1 587333492 KOCKKWMAAPOBOY-UNMCSNQZSA-N 524.155 6.082 50 1 KKGF O=C1C[C@](CBr)(c2ccc(Br)cc2I)Oc2c1ccc1c2CCCC1 587505703 NBIORTXDWMFCCG-FQEVSTJZSA-N 576.066 6.188 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@]1(CCl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587543083 ISNLHIQHNLTYMZ-IBGGVINMSA-N 509.986 5.673 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1OC 587543166 JQPMPCBYABAWEZ-IZEXYCQBSA-N 548.035 6.166 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1 587734072 MTZNAWLRNUOKEP-PWECECGKSA-N 501.802 6.892 50 1 KKGF CSc1ccc([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962479557 ZCTULLUNJZUBEA-PPTMTGTBSA-N 571.098 6.546 50 1 KKGF Cc1onc(-c2ccc(Br)cc2)c1[C@@]1(CBr)c2cccc(F)c2CCN1[C@H]1CCSC1 962713380 RDUKPEZXFLHRMS-MHECFPHRSA-N 566.334 6.554 50 1 KKGF CC(C)C[C@]1([C@@H](Br)[C@@H](Br)c2ccccc2)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962951051 GDXIXFVJLAZXBN-LSQMVHIFSA-N 589.334 7.498 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@]2(c3ccccc3OCC[C@@H]2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963030902 CMXPUOSFOPSUMT-LCWGXVBVSA-N 646.484 7.015 50 1 KKGF C[C@@H](Br)[C@@]1(C2CCC2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963184287 FQAFNVDWGLSLJR-YBWNPWGMSA-N 550.449 6.319 50 1 KKGF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@]1(CCCCCCCl)c1ccc(C(F)(F)F)cc1 963684486 DVOZJGYCSJBAIN-WAKHXKBOSA-N 603.081 6.252 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CBr)c3cccc(OC(F)(F)F)c3F)nc(Cl)nc21 963928382 LWQQUFNAQSHMQZ-DEOSSOPVSA-N 614.825 6.505 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CBr)(c2ccc(OCC(F)(F)F)cc2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939666 ZTMXELLLTSVQMG-LMCJYCAKSA-N 756.707 6.403 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356357414 IRQZUYBWVYCTAW-PSNLKGMLSA-N 918.324 7.111 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(CNCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)C[C@@H](CCN5)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356358849 YNSRVGHCCFJBII-ZVBSRBIVSA-N 934.279 5.353 50 1 KKGF C[C@@H]1CC=C[C@]2(C[C@H]3CC#Cc4c(O)cc5cc4C[C@H]4C[C@@H](C[C@H]2[C@H]4C3)[C@H]2CC[C@@](C)(CSS2)NCc2ccccc2C5)C1 2356360313 CZAFIFNHLPVCMR-RNXNPQPSSA-N 623.972 9.328 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]2([C@H](C)O)C#C[C@H]3CCC[C@@]4(CNCCSSC5(CCCCC5)C5(CCCCC5)NC(=N)NC2)C[C@@H](CCN4)Oc2cc(c(CO)cc2O)C[C@@H]31 2356364263 RQGBVMZVMGKQFC-ONRKMHOSSA-N 884.263 6.064 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@H](C)C6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356367800 HRDNAMNKTPWRTQ-QILRDYDGSA-N 844.146 6.529 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5cc(C6(CCO)CCCCC6)c(=O)oc5cc1O2)[C@@H]43 2356368931 BHEIZGQOUKRKAT-CGMAJDKKSA-N 869.119 6.180 50 1 KKGF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC=C4C[C@H](OO[C@@H]5CC[C@]6(C)C(=CC=C7[C@@H]6CC[C@]6(C)[C@@H]7CC[C@@H]6[C@H](C)C=C[C@H](C)C(C)C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C 2356404212 HIRVNRFYRHBEHL-FFPHUGFRSA-N 791.302 15.639 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@@H]43 2356414480 XLLSOMQHTJKUJM-CEEXTCFRSA-N 772.990 5.096 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356562931 JVPVHPBIUBBVLS-HBULLDNPSA-N 831.059 6.233 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCc2ccccc2)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356729992 ZBCVXGURYIBQHX-HLXKVHJQSA-N 893.313 10.262 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@H](CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356777277 RIWIQZBJCOZPIZ-LVCXIWIQSA-N 719.027 6.797 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@](C)(O)[C@H](CC=C[C@@]3(C)CC[C@H]([C@]4(C)CC[C@H](C(C)(C)O)O4)O3)O2)CC[C@@H]1Br 2356816203 CYZRICPAQMIASO-LPNYZLKMSA-N 587.636 5.989 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3[C@H](CC)Cc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@@H](O)C2CCCC2)C1 2356856170 RXZXZMRUPZGBHU-XDAKMGEASA-N 931.319 6.454 50 1 KKGF C=Cc1ccc(S(=O)(=O)OC2=C(C(=O)OCC)[C@H](c3ccccc3)N(C(=O)CCl)[C@H](c3ccccc3)C2)cc1 44431257 HEXDNQLETKIMAW-SVEHJYQDSA-N 566.075 5.806 50 1 KKGF NS(=O)(=O)c1ccc(N2C3=C(C(=O)CCC3)[C@H](c3ccc(Cl)cc3Cl)c3c(O)nc(CCl)nc32)cc1 66102797 CUXGSAOSVBSRBW-FQEVSTJZSA-N 565.866 5.166 50 1 KKGF C[C@H]1[C@@H](O[C@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]35OO4)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]1[C@@]24OO3 73352103 DFPBBOCDGYBNBR-FVKCPIMPSA-N 550.689 5.419 50 1 KKGF Cc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(Cl)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84724527 SSTALOIWTOJYKG-XMMPIXPASA-N 518.448 6.613 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3CCC[C@H](CC[C@@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)C3 85567694 YWODMNGWCIRMKY-SBMQGISCSA-N 732.917 6.567 50 1 KKGF biogenic,in-vitro COc1c(Br)cc(/C=N/NC(=O)c2ccc(-c3ccccc3)cc2)c(O)c1Br 95590902 QFZFGFOVLRNMCW-WYMPLXKRSA-N 504.178 5.357 50 1 KKGF CC1(CC[C@@]23/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]4CC(=O)[c-]5ccnc5CC#Cc5cc(C(N)N)c(cc54)CSSC[C@H](C2)[C@H](O)C3)CCCC1 150349156 WMDHELGWESYCPO-XXJHMBEHSA-N 873.174 9.132 50 1 KKGF biogenic,in-vitro O=C(CCl)Nc1sc2c(c1Cc1nnc(SCSc3nnc(Cc4c(NC(=O)CCl)sc5c4CCCC5)n3NC(=O)c3ccccc3)n1NC(=O)c1ccccc1)CCCC2 150562231 FFKAFPJIZKXRLZ-UHFFFAOYSA-N 936.011 7.896 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)c4ccncc4)[C@@H]3CC[C@@H]2C1 169851918 OJZNTJDEURTIGT-SSGCWNSHSA-N 511.867 8.338 50 1 KKGF CCN(C1COC1)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1 207715265 FMEWHTMZZYPJGN-PLJYQOKSSA-N 624.721 5.120 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@@H]1O[C@H](OC)[C@H]2N[P@@](=O)(N(CCCl)CCCl)O[C@H]1[C@@H]2O 299815243 JALYFSGCWRLNPP-YJHXOYOTSA-N 617.592 5.988 50 1 KKGF CCCCCCCCCCCCCCCCOC[C@H](Cl)C[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 299816699 MUQIOBLJHGULKS-CSFWHYMHSA-N 728.161 5.452 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3cn(Cc4ccc(C(C)(C)C)cc4)c4ccccc34)sc2c1 299857578 FNHAEFSDLISLEX-VTNSRFBWSA-N 538.721 6.814 50 1 KKGF CC[C@@H](c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)n1cc(I)c(C)n1 587185355 SCGKBFNDSRBNGO-LBPRGKRZSA-N 571.151 7.092 50 1 KKGF CC(C)(C)C(=O)NCc1ccc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587373814 JIASFDKLLWEVCQ-BKMJKUGQSA-N 502.007 5.748 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cc(Cl)cc(Cl)c1 587688377 LZNXUEOEFNVSBZ-SPSFWMDKSA-N 530.696 7.319 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(OC(F)F)cc1 587721113 VTXKZAVQPBVFMX-OZAJXLCCSA-N 527.812 6.614 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2c(F)ccc(Cl)c2Cl)N1 587723113 VGLGWWYBJKCMHO-QPFGOUBPSA-N 500.008 6.207 50 1 KKGF COc1cc2c(cc1OC)[C@@](CCl)(c1ccc(C)c(C)c1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678145 PVFLGBDOGQQNHY-HHHXNRCGSA-N 517.975 6.520 50 1 KKGF O=[N+]([O-])c1c(C(F)(F)F)cccc1[C@]1(CBr)NCC2(CCOCC2)c2cccc(C(F)(F)F)c21 962961482 VHBFXTFDXSJNKM-FQEVSTJZSA-N 553.297 5.922 50 1 KKGF C[C@@H]1C(C=O)=CN(CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C=C1[C@@H]1N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962971366 ICLUPOSULWKABM-XGBYBTARSA-N 654.151 5.582 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CBr)(c2ccc(I)c(F)c2Br)N1C(=O)OCC1c2ccccc2-c2ccccc21 963044780 VRXVTRJOVLWAKU-GOXGLGGOSA-N 827.229 8.370 50 1 KKGF Cc1ccc([C@@]2(CCl)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1 963095266 NCKQHSJXJFSAFE-JSXFGMRASA-N 572.148 8.089 50 1 KKGF CC(C)(C)OC(=O)N1[C@@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1cc(Cl)c(F)c(Cl)c1 963150765 SGHYEYKMYLHNSL-YJYMSZOUSA-N 540.238 5.474 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCCCCCCl)(c2ccc(Br)cc2)N1C(C)=O 963299897 APMNWRBWJJDYRO-CXUZTKPISA-N 857.220 7.685 50 1 KKGF N[P@@](=O)(OCCCC(=O)Oc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)N(CCCl)CCCl 1772586180 PBRAZUJVTFOSPC-PSXMRANNSA-N 578.796 5.715 50 1 KKGF N#CC1=C(N)Oc2c(c3nc4ccccc4nc3c3ccccc23)[C@@]12C(=O)N(Cc1cnnn1-c1ccc(F)cc1)c1ccccc12 1772622579 KBTIZYXZEFFIPY-BHVANESWSA-N 616.616 5.575 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3ccccc3C(F)(F)F)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857555302 XBXIMVMVHMFPTK-XGTCLXJHSA-N 650.466 6.421 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)cc23)cc1 1857584086 YSPOPRLBQLNQLB-UHFFFAOYSA-N 939.514 9.305 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(F)cc2Br)nn1 1857749692 VTQWTRKCOPIEEG-ZYGMTOJLSA-N 586.546 6.976 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c1N[C@H](c1ccc(F)cc1)C[C@@H]2c1ccc(F)cc1 1857755370 ZDUNNVNDYXBMLX-JSOSNVBQSA-N 521.547 7.293 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c1[C@@H]1C(C#N)=C(N)N(Nc2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 1911571667 MWHVEWJETYIZCA-PMERELPUSA-N 703.563 8.518 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356293895 MDICNXLHDFEEMJ-KEDWHJOOSA-N 813.055 7.059 50 1 KKGF C=C1C(=O)O[C@@H]2C[C@@H]3[C@]4(C)CC[C@H]([C@H](C)CCC=C(C)C=O)[C@]4(C)CC[C@]34C[C@@]4(CCC(=O)NC(C)(C)C)[C@H]12 2356339376 KABLNYFUJKBLHV-DRGZAVBRSA-N 537.785 6.953 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356361241 XKMHQXRHADLLNF-UVEVDLJWSA-N 929.211 8.156 50 1 KKGF C=C1CC[C@H](C(C)C)[C@@H]2C=C(C=O)CC[C@@H]3CC(=O)C(C)=C(C[C@@H]4C(=C)CC[C@@H]5[C@](C)(C(=O)O)CCC[C@@]54C)[C@]3(C(=O)O)CC[C@H]12 2356398767 BOICMILQJUYXAE-USAOKWTESA-N 632.882 8.770 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356530630 OZCVCBIHTFDSNM-CINURHAGSA-N 871.213 6.824 50 1 KKGF CCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@H](C)[C@@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356608625 RHWGELGQTCGCNJ-IJOPDZBFSA-N 612.980 11.189 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356644335 BKOJBYQIPKBGCK-KHACFQIQSA-N 896.318 7.335 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@H]2CCCC[C@@H]2CNC)Cc2cccc(c2)C1 2356723375 GOIXWAYFKKSJPF-DLXOQDIMSA-N 966.358 6.665 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@H](CCOC4CCCC4)C3)c2)N1 2356729120 HWFGSQIFWMURID-HUQXNVDYSA-N 781.098 8.020 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)CNC[C@H]([C@@H]3CC#CCCCc4ccccc4C=CC3)[C@H](c3cc[nH]c3)CSSCO[C@@H]2[C@H]1O 2356815013 CNNKGXLWRUKTHU-CARHUNTNSA-N 865.039 6.951 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356840102 DVNAEYOYZZALSX-NFYUMHDBSA-N 742.984 7.268 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356842129 MLCZGCIXXMITDD-PTFTUTHHSA-N 740.044 8.788 50 1 KKGF O=C(CCCCBr)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 27991016 CPDKMBCYZTXOAQ-UHFFFAOYSA-N 577.478 5.864 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCCO)CSSCO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 85511294 YHOVGEDRLIFPDK-BUYAYDFXSA-N 800.989 5.505 50 1 KKGF biogenic,in-vitro CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@@H]2C[C@H]3c5c-4ccc4cccc(c54)[C@@H](SSCCC[C@H]2O)[C@H]3O)c2c(c1O)Cc1cccc(c1)[C@@H](NC1CCCCC1)CSSC2 150343754 AXVWGNVFNUIIHZ-GBPCJQFCSA-N 976.317 12.231 50 1 KKGF biogenic,in-vitro COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@@H]1N[C@H](CCCO)C[C@@H]3C=C[C@@H]4Cc5c(NCC(C)=O)c(CO)cc1c5[C@H]3[C@@H]4CO)CC(=O)CC2 150347658 GXKAYOGHRNCORJ-NLKDALRPSA-N 953.233 8.178 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(Cc3c(F)c(F)c(F)c(F)c3F)(c3c(F)c(F)c(F)c(F)c3F)c3c(F)c(F)c(F)c(F)c3F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 150542253 AXDTVHDQUUWLJT-PKEZUGBCSA-N 810.550 9.484 50 1 KKGF O=C(O)[C@H]1[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl 587012757 YYPSOODNZCQNRR-RDDMENKBSA-N 587.008 7.850 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587320969 HTYLQPOZLVILOP-DFTDMARZSA-N 520.192 6.332 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Cl)c(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1 587332639 SXUFTOOHNRHBHS-IFMALSPDSA-N 529.711 6.853 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCl)([C@@]1(OC(=O)c3ccco3)[C@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](O)C[C@@]31C)O2 587377691 XNPLHWPIGNZGRZ-DFACYGLCSA-N 668.614 6.595 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(F)ccc1Br 587566897 BOGWDMUBSAQXDE-WIYYLYMNSA-N 508.137 5.546 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cccc(I)c1 587571957 SPGVSZPBBYSONU-GHTZIAJQSA-N 537.147 5.249 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2c(C(=O)O)cccc12 587637343 BPWOPYJLPPIIGO-HXWIYHHJSA-N 642.120 5.776 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)N[C@H](C)Cc3cc(Br)c(F)cc32)c(Br)c1 587672648 GVYWCBKILKJHMR-BLVKFPJESA-N 520.078 6.140 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)cc2Br)N1 587725646 FSKYPFPKHXJSRS-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF CCCCC[C@@H](C(=O)NCc1c(F)c(F)cc(F)c1F)n1cc([C@@](CC)(NC(=O)OCC[C@@]2(CCC(=O)NCCCN3CCCC3=O)OOC3(O2)C2CC4CC(C2)CC3C4)C2CCCC2)nn1 621431821 OZHYYLXHOPUFPH-SBDUEFPISA-N 946.097 7.920 50 1 KKGF Cn1cccc1CN1CCc2sccc2[C@]1(CBr)c1cccc([N+](=O)[O-])c1Br 962374392 PKKIYPKEHPOFBZ-HXUWFJFHSA-N 525.266 5.454 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@@]1(CBr)c1ccc(C(F)(F)F)nc1O 963192145 ITURNLDNPORNJO-REWPJTCUSA-N 502.334 5.567 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2ccc(C(F)(F)F)cn2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938795 QICNIIGQODKOFX-WVQOJNRZSA-N 683.218 5.720 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CCC[C@H](O)C5CCCC5)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356291954 IHACHMRSQJEUHX-IOBVFORNSA-N 944.273 9.488 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@@H](CC)C1)C3 2356365598 OPEBGPVYIOESDE-JGJKWCCFSA-N 800.946 5.168 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@@](C)(O)CCCC(C)(C)OO)CC[C@@]23C)C1(C)C 2356448118 PCHIVLNSEKZZQK-SUKPNKEUSA-N 520.795 7.793 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)C1(CC=C(C)C)CCCC1 2356524010 MVFYZWUUOBQWJM-ROUCXSTQSA-N 583.854 5.730 50 1 KKGF CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)[C@H](Cl)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)=C[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@H](C)[C@H](O)C(=O)[C@H](C)[C@H](C)C=C[C@H](O)[C@@H]2O 2356536402 JZUTVBHNLVBSJC-AEBSHEPDSA-N 957.724 7.452 50 1 KKGF C=C(C)[C@H](CC[C@]1(C)C(CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]32C)=C(C)CC[C@H]1O)OO 2356608866 JKSNJIROFMMOOT-UGNOOCHNSA-N 508.740 5.944 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSS[C@H](CCCO)[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@@H](O)[C@@H](O)C5 2356768915 XUBXLRQUZPIAQW-AOYLDECESA-N 882.239 7.140 50 1 KKGF C#CCCC#CC=CC#CC[C@H](Br)[C@H](Cl)CC(Br)=CC=CCC(=O)NCCCCCNC(=N)N 2356795197 LSBQCRQOSCCPPW-BJKOFHAPSA-N 612.838 5.109 50 1 KKGF CNC[C@@H]1C[C@H]2C=C[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCC4=C(N)N[C@@H](Cn5cc6cc[nH]c6c5)C=C4[C@H]4C=C(C=C(N)N4)CC[C@@H]4O[C@@]24C(=O)O[C@@H]13 2356835537 KSPCNXCOBMZBCX-DYADYNIPSA-N 892.117 5.448 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)CSSCNC7=CC(=CCN7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356872981 ZCIMKMCQXIYIOQ-QMKUOFDKSA-N 701.011 9.157 50 1 KKGF COC(=O)[C@@H]1CCCN1C(=O)c1cnc2c(SSc3cccc4cc(C(=O)N5CCC[C@H]5C(=O)OC)cnc34)cccc2c1 204759776 DSZNGPCTTDMFTH-ZEQRLZLVSA-N 630.748 5.138 50 3 KKGF Cc1c(C)c(C(=O)Oc2c(C)c(O)c(C)c(C)c2SSc2c(C)c(C)c(O)c(C)c2OC(=O)c2c(C)c(C)c(O)c(C)c2O)c(O)c(C)c1O 3934339 JSJXWCUGJNPVIU-UHFFFAOYSA-N 722.878 8.859 50 1 KKGF biogenic O=C(Nc1ccc2[nH]c(C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2c1)c1cc2ccccc2[nH]1 64447445 OMTPLEBPJORDFA-IBGZPJMESA-N 535.003 6.743 50 1 KKGF Cc1ccc(C2=CC(=O)O[C@@](C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)(c3ccccc3)O2)cc1 73351169 WHPOGASQZGSJKI-BHVANESWSA-N 541.607 6.756 50 1 KKGF COc1ccc2nc(Cl)c([C@H]3C(C#N)=C(N)N(Nc4ccccc4)C4=C3C(=O)CC(C)(C)C4)cc2c1 84713362 CEUKCGHHELAAER-DEOSSOPVSA-N 500.002 5.660 50 1 KKGF COc1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 98082876 SJXCQVXZMWPZOE-OSEYMHQKSA-N 533.604 5.136 50 1 KKGF CC(C)=CCC[C@@](C)(O)[C@@H](O)CC[C@](C)(O)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 140300722 KZSISDVLCPXFBE-KMJZPMASSA-N 589.652 5.972 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(CNC(=O)CN(C)C(=O)OC(C)(C)C)cc3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 150570257 NNONCSGUJBUQLL-MYWQDWTDSA-N 905.914 5.808 50 1 KKGF C=CC[C@H]1[C@H](Sc2ccccc2)C(=O)O[C@@H]1CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195161181 JGWKUHYHVJCCGU-NLDZOOGBSA-N 516.779 6.232 50 1 KKGF O=c1c2cc3c(=O)n(CC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)c(=O)c3cc2c(=O)n1CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 195816034 NGXZEMRIZZITJX-UHFFFAOYSA-N 794.828 5.901 50 1 KKGF CC1(C)CC[C@]2(C(=O)NCC(=O)OCCCCCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 299863531 PJBHWENVSYBFAR-GEZDIYSTSA-N 873.082 6.959 50 1 KKGF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 587232179 MQWONIPQYQFYTF-UHFFFAOYSA-N 546.359 7.600 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587532388 QHKFEUUQDYHBFN-FQEVSTJZSA-N 514.235 5.390 50 1 KKGF Cn1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(=O)C(Cl)(Cl)Cl 587547357 ZOVKTEULZQEOJR-UWJYYQICSA-N 515.176 5.380 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587671866 VLEWYWXIIPXCHP-CQEOPILBSA-N 545.290 6.629 50 1 KKGF COc1ccc(Br)cc1[C@@]1(CBr)N[C@@H](C)Cc2ccc(F)c(Br)c21 587674361 WIIVEYTWNHYVGI-XTZNXHDOSA-N 522.050 5.532 50 1 KKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587686719 DLWNGOPWQYZNSQ-XQLUGIRFSA-N 504.827 6.363 50 1 KKGF CCN(c1ccc(-c2csc(/C(C#N)=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)n2)cc1)S(C)(=O)=O 587923644 ZJLAGOHRPIAMHF-KGENOOAVSA-N 537.751 6.961 50 1 KKGF COc1ccc(-c2cc3n(n2)C(N)=C(C#N)[C@@](c2cc(C(C)C)c(N)c(C(C)C)c2)(C(F)(F)F)N3)cc1 621477731 JGZOEBGJSIEEBG-SANMLTNESA-N 510.564 5.922 50 1 KKGF Cn1cnnc1SCc1cc(Cl)cc2c1OC=C(C=O)[C@]21c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963421446 ZBFDRKGSKUHXBG-XYFQYJLHSA-N 626.094 5.113 50 1 KKGF Cc1cccc2c1[C@@](c1ccc(F)cc1)([C@H](Cl)C(=O)c1ccc(F)cc1)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963831443 GQGUFJLQCBXVJE-HAFIXEQPSA-N 570.032 6.644 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@]2(/C(=C(\C#N)NCc3ccccn3)C(=O)c3ccccc32)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963939437 XFSUNLSVWQPLSN-PAMVIWIWSA-N 748.931 5.226 50 1 KKGF Cc1ccc(/C=C/C=N/NC(=O)CN2C(=O)N(c3ccc(Cl)cc3)[C@@H](N(O)C(=O)Nc3ccc(Cl)cc3)C2(C)C)o1 1772618199 OGKZIEPEKQVMTF-WUPJFCPBSA-N 599.475 5.980 50 1 KKGF CCOc1ccc(N2C(=O)[C@H](Oc3ccc([C@H]4C(C#N)=C(N)OC5=C4C(=O)CC(C)(C)C5)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 1857543452 NVJOGJQUYIMSQB-RUHGTMQNSA-N 620.662 5.980 50 1 KKGF CCCCCCCCCCOc1c(OC)cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c1CN1CCc3cc4c(cc3[C@H]1C2)OCO4 1857615356 KAAZBNNYJKPEMO-LTVTZNOPSA-N 641.769 7.534 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1 1857636734 DZVJSQDDINENEJ-XJTLHGHDSA-N 534.657 5.982 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCC3(CCCC3)C2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@]54C)[C@@]21O 2356351171 RHSVFXXSLKPNNP-WGXQGTASSA-N 793.193 8.730 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@]5(C[C@H](NC[C@H](C)O)C[C@@H]5CC(C)C)C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356370545 BUXRLMIVRPHVIY-KEKURNOCSA-N 854.138 5.205 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@]1(O)CCC[C@@H]2CN(CCCOC)CC[C@@H]21)C4 2356373166 TXTQSCGHVWITIU-DBMQNBSHSA-N 838.995 5.486 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(CO)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@H]2C=CC[C@@H]3O 2356374572 ZKHFRNBGXVLPAD-QTZANALBSA-N 974.388 7.542 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@@H](C)C=C[C@H](C)C(C)C)CC[C@H]4[C@]34CC[C@@]2(C1)OO4 2356388531 JBMMUQVRNSPMJR-VWCDSRPYSA-N 697.142 13.510 50 1 KKGF CC1=C[C@H](OC(=O)c2cccnc2)[C@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@]2(C)O[C@@H]2CC1 2356541058 FDAHWIIHUAQTGL-AILOXMDZSA-N 682.770 6.573 50 1 KKGF CCCCC[C@@H]1[C@H]2CCNC(=N)NCSSCCCCCC[C@H](O)C[C@@H](OC(C)=O)CCc3cc(c(O)c(OC4CCCC4)c3)CN1C(=O)C2 2356729448 IGELFHIGMSNTRS-RBDOYBQRSA-N 735.070 7.433 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc4c3[C@H](NC[C@H](C)O)C(=O)N[C@@H]4N)=C3CC[C@](C)(O)[C@]2([C@H]1O)[C@@H]3CCCO)CCC=C(C)C 2356771396 WUUGEGBQXCYDHI-DVEKXGMBSA-N 824.163 5.673 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc4c3OC(=O)N[C@@H]4N)=C3CC[C@](C)(O)[C@]2([C@H]1O)[C@@H]3CCCO)CCC=C(C)C 2356773371 XZZFPLVDTAYNMS-ZJQWJDTQSA-N 753.040 6.634 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@H](C)CC[C@H]3c4cc(O)ccc4-c4c(OCCO)cc5c(c4[C@H]3CO)[C@H]1[C@H](O)[C@H]2O5 2356774164 RXTSWHPBNFDLNN-CYUJSJRTSA-N 706.879 6.034 50 1 KKGF CCCCCC[C@](C)(O)[C@@H]1Cc2c(c(CO)c3c(c2OC)C(=C2C[C@@H](c4ccc5[nH]ccc5c4)C(=O)[C@@H](CO)C2)C(C=O)=C(C(=O)OCC)O3)O1 2356775543 MZGSZNLRXZXROF-VFSKIHFWSA-N 701.813 5.611 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6cc(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@@H]3O7)C4)N[C@H](N)C=C5)C1)C2 2356819461 FBTWBLUFDCMQDO-FADCWTMXSA-N 976.274 10.093 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@@H]3[C@H](O)[C@H]3C[C@@H](C=C[C@H]1C3)C2 2356827006 HMOHJDMKLDBFHO-UGCTXMPHSA-N 800.100 5.794 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356841513 NJPUDJCMEOMTCY-LTFNPANYSA-N 847.113 5.015 50 1 KKGF CN1CCN(c2ccc3nc(-c4ccc5[nH]c(Cc6ccc(N(CCCl)CCCl)cc6)nc5c4)[nH]c3c2)CC1 27437105 PTDUSCOYFRLFAK-UHFFFAOYSA-N 562.549 5.733 50 1 KKGF C=C(/C=C/C=C(/CO)[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CC/C=C(\C)CN[C@H](C)Cc1ccccc1 85544381 XLSXUXBCBPTWPP-IOIZIWFISA-N 662.956 5.761 50 1 KKGF biogenic,in-vitro COC(=O)[C@H](CCSSCC[C@@H](NCCC(=O)c1sccc1Br)C(=O)OC)NCCC(=O)c1sccc1Br 95546968 BJVDVNXMVFORSY-HDICACEKSA-N 730.588 5.604 50 1 KKGF C[C@]12CCSSC[C@]34C[C@H](CSSCc5ccc(CO)c(c5)C[C@@H]3CNC(N)=N4)[C@H]3CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]1CC1=C3C(=O)C[C@@]142 150342262 MPPASOILWTVSGR-VTEDNLNQSA-N 808.261 6.601 50 1 KKGF biogenic,in-vitro C/C(=C\C[C@@]12O[C@@]1(CCl)C(=O)c1ccccc1C2=O)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C 169313333 IQZRDEYKPNMTKJ-GRDVZGQUSA-N 501.151 8.588 50 1 KKGF C=C(c1ccc(OC)cc1)[C@@H]1CO[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)[C@H]4OC[C@@]34CC[C@@H](C)CO4)C2)OO1 169355521 UXWIVRBMVBCLQU-AKHVQUMMSA-N 552.752 6.969 50 1 KKGF CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@H](CC[C@@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]4CC[C@]32C)C1=O 253640077 UYLUNZVIASNMRS-RHSPYCMLSA-N 539.109 5.409 50 1 KKGF Cc1cn([C@H]2C[C@H](N3C(=O)CS[C@H]3c3c4ccccc4cc4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473135381 HUCXRUFVFITDOK-AMOWFCFRSA-N 617.844 6.516 50 1 KKGF C[C@@H](c1ccc(CBr)cc1)c1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586973798 OUZYAUUUNWPNNB-AWEZNQCLSA-N 502.334 6.881 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 587000912 AFSIQDGYJKQYDG-UHFFFAOYSA-N 546.157 7.338 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190122 JURQERGQGYKIQA-SXGOPQCFSA-N 668.901 5.845 50 1 KKGF COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cn1 587190335 KEPUKCXBZWMCNG-RJCQRBOISA-N 592.781 5.998 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)N1 587674223 VADSWPBGCFUNOE-BZQUYTCOSA-N 529.247 7.055 50 1 KKGF C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)C=C(C#N)C(=O)[C@](C)(C(=O)OCc6ccccc6)[C@@H]5CC[C@]43C)[C@H]12 1772634801 XZPQIVSOQAQZQL-ZLEXAOGRSA-N 581.797 7.805 50 1 KKGF CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@@]21C 1857560053 SPJCRMJCFSJKDE-VOAJDGSZSA-N 644.812 10.466 50 1 KKGF COc1ccc([C@@H]2CC(c3ccc(O[C@@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)cc3)=NN2C(C)=O)cc1 1857648204 YHJADTWSDOURQS-XMMRVEBUSA-N 576.690 5.980 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C=C[C@]4(CC)CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5ccc(=O)oc5cc1O2)[C@@H]34 2356292334 PCRMMRGBSQYAAT-GPOPLYNJSA-N 697.879 6.139 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356363207 JXGFNBDDZQLXKE-VMIKISFRSA-N 783.107 6.362 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@@H]2CSSC[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 2356371929 UHOJZYSLSNJZPY-VBFQMFEUSA-N 681.873 7.163 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@H]41 2356534752 QHJUKUNLUXNCHU-CUQQTQAXSA-N 990.387 6.890 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@H](CNC(=N)N)[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356541128 OSBNGOHIYXYKDI-FMDBFIILSA-N 784.146 6.023 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356625347 JVPRJGVDJLHHPG-TXZRGUEPSA-N 672.945 7.985 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CCC4(CCCC4)C3)C1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@H]4C=C[C@@]12C[C@H]4C3 2356734996 OVGTVCQCGNQTPW-KTUVSKDJSA-N 748.199 12.633 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(C)O)C1(CC=C(C)C)CCCC1 2356756701 DUAGAVSEANEZKB-ILZDGHJBSA-N 584.838 6.157 50 1 KKGF CCC=CCC=CCC=CCCCCCCCC(=O)OC[C@H](CO[C@H]1O[C@H](CO)[C@H](OO)[C@@H](O)[C@@H]1O)OC(=O)CCCCCCCC=CCC=CCC=CCC 2356764405 FRMJXPCHGMQHNY-RQSIIUAKSA-N 791.076 8.934 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@@H](CN2C=CNC2)SSC1 2356810727 BAXOEYXEVQMVQJ-HHNDSTAQSA-N 594.803 5.792 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)[C@H](O)NC[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)[C@H](c3cc[nH]c3)CSSCO[C@@H]2[C@H]1O 2356864287 VTCMXVATQHXSOG-DOFYELOOSA-N 905.060 6.750 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(Cl)c(OCCBr)oc(=O)c2c1 27635015 VWIKIXITRNGDSU-NRFANRHFSA-N 604.885 5.776 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CCC[C@@](O)(Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O)Cc1ccc(-c2ccccc2)cc1)C(C)(C)C 29133933 YTZHTFNJXKMQQR-LLCAVZNQSA-N 706.884 5.486 50 1 KKGF N#CC1=C(N)OC2=C(SC3=NC4=C(C(=O)CCC4)[C@@H](c4ccc(F)cc4)N32)[C@H]1c1ccc(Cl)cc1 32050712 WQEFZVYKNSVVPI-RBBKRZOGSA-N 504.974 5.623 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3/C(=N/NC(=S)NC4CCCC4)C=C4C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@@]21C 42802885 PJCSNIICBZDJRX-KHMGBSPPSA-N 560.336 9.008 50 1 KKGF COc1ccccc1P(CCP(c1ccccc1OC)c1ccccc1OC)c1ccccc1OC 43781363 UTHBNWMLPLYXBS-UHFFFAOYSA-N 518.530 5.287 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](CCCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 43910322 RJGALAVALLVPKP-AVWBGATHSA-N 522.482 6.436 50 1 KKGF CCO[P@](=O)(F)/C=C/c1cc(OC)c(O)c(-c2cc(/C=N/NC(=O)c3ccncc3)cc(OC)c2O)c1 49881489 KYYNIRXCWOFUMS-KTADFFCTSA-N 529.461 5.111 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)N(C(=O)CCl)[C@H]1c1ccccc1 58559813 RZDVJJXLJLYIMX-KCWPFWIISA-N 585.034 5.071 50 1 KKGF C/C1=C/CC/C(C=O)=C/[C@H](OC(=O)c2cc3c(c4c2c([N+](=O)[O-])cc2ccccc24)OCO3)C/C(C)=C/CC1 169369810 XJBILGKCOVAJTM-BLPKUJFBSA-N 527.573 7.137 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCCCC(=O)O)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C\C=C(\C)C2 195249945 ORSKCTIDJPPMJJ-PMSFGYLDSA-N 898.538 6.320 50 1 KKGF C=C(c1ccccc1)[C@@H]1CO[C@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]5[C@@H]4CC[C@@H]3C2)OO1 253656827 ZOPPIEXJTMDFHN-KSEATEILSA-N 548.852 9.864 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299842981 LTLNAIFGVAUBEJ-HOFXIQHISA-N 826.475 6.085 50 1 KKGF N=C(CCl)NCCCCNc1c2c(c(NCCCCNC(=N)CCl)c3sccc13)C(=O)c1ccccc1C2=O 473129845 IVNKVXSGCWBVPK-UHFFFAOYSA-N 587.577 5.672 50 1 KKGF COc1ccc(NC(=S)Nc2ccccc2SSc2ccccc2NC(=S)Nc2ccc(OC)cc2)cc1 473155277 RCJBTBKQOOZEEF-UHFFFAOYSA-N 578.810 8.121 50 1 KKGF CCCCN(Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)OCC1c2ccccc2-c2ccccc21 587193034 QBUHGKZZJWNJGG-UHFFFAOYSA-N 551.581 8.772 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(C(Br)Br)O2 587374781 QJXKRABEVBUBHL-KRWDZBQOSA-N 504.016 5.316 50 1 KKGF CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@]2([C@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)O1 587558964 YMNVDWJNYBNHTO-WVYOGCMMSA-N 667.170 6.426 50 1 KKGF Cc1c([C@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc2ccc(Cl)cc12 587619706 UQXZPJQKCDMUQT-GBXCKJPGSA-N 515.812 6.821 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1 587689251 RFJKDHDCYAONOP-AMIRBURQSA-N 541.675 7.163 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(F)(F)F)cc1 587710828 FOMJDCJENKJOMO-ZAMGYDSWSA-N 529.803 7.031 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2ccc(S(=O)(=O)N3CCCCCC3)cc2)N1 587838671 DHEWOCKPWSEYBD-QMHKHESXSA-N 574.354 5.326 50 1 KKGF COc1ccc2c(c1)c([C@]1(CCl)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c31)c(C)n2Cc1ccccc1 962982179 WJSQXHTWFLXVFK-DFHRPNOPSA-N 545.413 6.020 50 1 KKGF C[C@@]1(c2ccc(F)c(B(O)O)c2)c2ccccc2C[C@@H](C(=O)O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963099899 SWRFAGDYGOGNGO-QWOOXDRHSA-N 571.457 5.072 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@H](c2ccc(C(=O)Cl)cc2)N1 963175944 SKSCBZOGRPRVGG-AJQTZOPKSA-N 588.107 6.435 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CCCCCl)(c2ccc(Cl)c(Cl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963227723 DTNVEGPQHWDOQX-WHMAPKLYSA-N 740.980 8.429 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(c2cn(C)c3ccccc23)N1C(C)=O 963319411 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CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CC6(CCCC6)C[C@@H]6COC[C@](CCCO)(CSSCO4)[C@@H]65)[C@H](O)[C@H]3O)c2c1O 2356353952 DSQZKSJZYCSNKR-BSKQAMNHSA-N 790.994 5.452 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(CCCC6(CCCC6)[C@@H]5CSSC[C@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356353965 DWJGXFVZYVXAKJ-GWGWZWMMSA-N 901.329 10.822 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@@]21O 2356366792 QLPSZCYQVIFFAX-ZIGFQSEKSA-N 789.161 8.260 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](CCOC)([C@@H]2CCC[C@H](NC[C@@H](C)O)C2)NCC2=C[C@H]1CCC2 2356430189 OYJOUISXEQLMRM-TYXVLKBYSA-N 998.400 6.248 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356440692 LVZOVWPTMQMEMN-NSBVNTJNSA-N 815.071 6.224 50 1 KKGF COc1cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)[C@H](C)CCSS5)c(O)c(OC)c1O 2356520802 ZJFUJIIHPOPGED-GOMFYRAVSA-N 738.921 6.518 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@@H](O[C@H](NCCCC1(O)CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356627511 LAEKLZBSRIJJLA-QBNJOAGVSA-N 847.109 8.107 50 1 KKGF CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@H](Cl)C[C@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)=C[C@H](C)C[C@H](O)[C@@H]1O[C@H]2C[C@H]1OC(=O)[C@H](C)[C@H](O)C(=O)[C@H](C)[C@H](C)C=C[C@H](O)[C@@H]2O 2356680733 SFTBIUYIRWPRME-QGAZDMLVSA-N 931.686 6.896 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@](C)(O)CC=CC(C)(C)OO)CC[C@]23C)C1(C)C 2356734892 DHINOQSEHVSVIQ-YVYMBURUSA-N 518.779 7.569 50 1 KKGF CC[C@@H]1CCc2ccccc2Cc2cc(O)cc(c2)C[C@H]2C[C@@H](CSSC1)C[C@@H]1[C@@H]2CCC[C@]12C=CC[C@H](C)C2 2356765436 RDWQUOBQAYQCPL-OVIHWVCASA-N 574.940 10.294 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCc2c(cc(CN4C=C5C=CN=C5C4)[nH]c2=N)-c2cc(cc(N)n2)CC[C@@H]2O[C@]2(C)C(=O)O[C@H]1C3 2356835894 KVGFOFZVYGPUBL-YUKSOCODSA-N 780.929 5.607 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@@H]2c3cc(OC)c(O)cc3CC[C@H]2SSC[C@H]1C1=CCN=C1 2356845220 OCOYWFYGRFVTGY-LDDPPBQKSA-N 531.740 5.909 50 1 KKGF O=C(Cc1csc(-c2cccc(C(F)(F)F)c2)n1)N/N=C/c1ccccc1OCc1csc(-c2ccc(Br)cc2)n1 72122153 JJUZXYUHRXJAEE-HBHSWBPBSA-N 657.537 7.987 50 1 KKGF O=C1c2ccccc2C(=O)N1CCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 84587292 ZMFAZPJSCHPKAR-UHFFFAOYSA-N 548.687 7.398 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccc(Cl)cc3)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84714543 ACDRUEJEOIIYDI-DQTSHQJUSA-N 578.075 5.575 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccoc2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118932865 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503.286 6.024 50 1 KKGF COc1ccc(CCn2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2C)cc1 587546729 XKFIFPVXCNVRMC-FIBWVYCGSA-N 518.009 6.158 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2cn(-c3cccc(C(F)(F)F)c3)nn2)N1 587714214 OTEVHXCQHDQPHY-JEOXALJRSA-N 503.725 5.204 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(c3ccc(Cl)cc3)[C@H](Br)c3ccccc3)c(O)c2C(=O)O1 962976209 VJXDUWLTYNKFBH-LJPUADKOSA-N 695.393 7.332 50 1 KKGF CCCc1ccc([C@@]2(CBr)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)cc1 963548513 GDDXWEFMTCUTCF-PMERELPUSA-N 610.474 6.949 50 1 KKGF COc1cc2c(cc1OC)[C@@](c1ccc(CNC(C)=O)s1)([C@H](C)Cl)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963772816 AJWWZFBNGZWNNW-NOVUIFNWSA-N 580.106 5.021 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCl)Cc3ccc(Cl)cc3)nc(Cl)nc21 963916500 SSXOOBFKPOEEHK-RUZDIDTESA-N 516.860 6.159 50 1 KKGF C[C@](O)(CSc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1 1857540754 GVTXIROHZLSRJU-INIZCTEOSA-N 539.482 8.483 50 1 KKGF O=C(NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 1857541015 QWLRZAFZOIZBIJ-UHFFFAOYSA-O 570.690 6.648 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 1857561274 UVSRXUYQBDAGKD-ZPZHTWQZSA-N 555.951 6.584 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCc1cn(CCCCCOc2ccc3cc(-c4ccccc4)c(=O)oc3c2)nn1 1857748384 JXBCANBRUMIOTK-HHHXNRCGSA-N 592.787 6.631 50 1 KKGF C[C@@H]1CC[C@H]2[C@H](C[C@@]3(CCCCCCC[C@@H]4[C@H](O)O[C@H]5O[C@@]6(C)CC[C@@H]7[C@H](C)CC[C@H]4[C@@]57OO6)C(=O)O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 1911572745 LYERTYDIYHIZKP-DRBSSFBLSA-N 915.127 8.435 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(C)O)CCC=C(C)C 2356349700 LWSGUNGOUFKFAD-NTUMTVFPSA-N 538.769 6.036 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@@H](CCC3(O)CCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356354718 PIVIAJMETAGOJR-QSCQIISISA-N 957.265 9.124 50 1 KKGF CNCO[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1C[C@H](O)CSS2 2356360793 OERYIYLVVSNKNF-XGVQWFJKSA-N 583.772 5.978 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(C[C@@H]6CC[C@H](NC)[C@@H]6C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@H]3[C@@]1(O)[C@H]2O 2356363958 RSVRTDFORPJVEN-MBCCXOIGSA-N 971.289 5.411 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@@H](CCCO)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356367151 XBLBCMDGVHBGLN-BKRHJRNWSA-N 903.173 7.811 50 1 KKGF CO[C@H]1C[C@@](C)([C@@H](C)[C@H]2O[C@@H]([C@H](C)C(=O)OO)C[C@@H](O)[C@@]2(C)O[C@H]2CC[C@@H](OC)[C@H](C)O2)O[C@@]2(CC[C@](C)([C@@H]3CC[C@](C)([C@@H]4CC[C@H]([C@@H]5O[C@](C)(O)[C@H](C)[C@H](OC)[C@@H]5C)O4)O3)O2)[C@H]1C 2356545338 IQVROGAJHRXENX-IZPYIGMLSA-N 915.168 6.084 50 1 KKGF C=C1C=CC=C([C@@H]2CC[C@]3([C@@H]4CC[C@H](O)Cc5cccc(c5)CC[C@H](O)CN[C@@H]5C(=O)N[C@H](N)c6cccc(c65)CC(=O)C(C)=C4CC[C@@]3(C)O)[C@@H]2O)CO[C@H]2C#CCC(=CCC1)CCSSC2 2356686148 UPAFSYOLUKYGQO-DPRUKJGESA-N 962.332 7.765 50 1 KKGF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)OC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]4CC[C@H]5C[C@@]4(CC[C@@H]12)C[C@H]5CO)C3 2356770963 MJZVWOZWBJDDFY-JQLKKSTISA-N 606.932 9.127 50 1 KKGF CCCCC[C@@H]1CC[C@H]([C@]2(C)CC[C@H](O)[C@]34[C@H]2[C@H]2C[C@](C)(C#CC[C@@]5(C[C@@H](Cc6ccccc6)CC[C@H]5CSSC[C@@H](Cc5ccccc5)C[C@@H](C)CC[C@H]3O)C(=O)O2)[C@@]4(O)CCC2=CC(=O)OC2)C1 2356776079 DCYWJYTWBKDUBN-DKGXPREMSA-N 993.470 12.537 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CN[C@H](N)C(=C2)[C@@H]([C@]2(n3ccnc3)CCC3(CCCC3)C2)SSC1 2356856469 SAAQGHSJPVNNRC-JXLDYWPDSA-N 702.987 7.795 50 1 KKGF COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1 13492724 LRKANEUOIMFIEI-AMVVHIIESA-N 519.907 5.408 50 1 KKGF O=C(CCCCCCC/C=C\CCCCCCCCBr)N[C@H](CO)Cc1ccc(O)cc1 13685163 HHFAASDNJNGURU-QDODNJKOSA-N 510.557 6.824 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2cccnc2)cnc2c(C(F)(F)F)cccc12 49762312 KVGHEFFCUVHEQR-IMHNWALASA-N 580.636 5.464 50 1 KKGF CCOC(=O)c1ccc(N(CCCCCCCCCCCP(Br)(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)OCc2ccccc2)cc1 95608679 LKHIJQAWSYFVCB-UHFFFAOYSA-N 794.811 11.357 50 1 KKGF N#Cc1c(-c2ccccc2Cl)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933470 SIRBLRUNUZZZHZ-DQEYMECFSA-N 510.384 6.512 50 1 KKGF COC(=O)N[C@H](C(=O)NN(CC[C@@]1(Cc2ccccc2)C(=O)N([C@H]2c3ccccc3C[C@H]2O[Si](C)(C)C(C)(C)C)C[C@@H]1O[Si](C)(C)C(C)(C)C)Cc1ccc(Br)cc1)C(C)(C)C 195398069 HNGJEOPMLZICAR-MFYPRNPOSA-N 950.221 10.593 50 1 KKGF COC(=O)[C@@H]1CC[C@H]2CCC[C@]3(CCC[C@@H]3CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)N2C1=O 195408955 ZNCLZESKAPDVSI-NMMVYSQMSA-N 533.785 5.066 50 1 KKGF CO[C@@H]1O[C@@H](/C=C(C)/C=C/C=C(\C)CCC=C(C)C)C[C@]12[C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O 238741905 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CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]12C=C[C@@]1(C)C(=C2)CC[C@@H]2[C@@H]3C[C@@H](C)[C@](OC(=O)c4ccco4)(C(=O)CCl)[C@@]3(C)C[C@H](O)[C@@]21Cl 961780129 DSVLBEBZPYFFQY-NQLPDYGSSA-N 872.843 5.887 50 1 KKGF Cc1cc([C@@]2(CCl)c3ccsc3CCN2Cc2cccn2C)c(C)n1NC(=O)c1sc2ccccc2c1Cl 962396963 IGLIPJXWERRSRP-GDLZYMKVSA-N 583.610 7.298 50 1 KKGF Cc1cc([C@@]2([C@@H](C)Cl)NCC3(CCOCC3)c3cc(C(F)(F)F)ccc32)c(C)n1-c1ccccc1 962958746 OUKLVNDAFGYLBR-HRFSGMKKSA-N 503.008 6.635 50 1 KKGF C[C@]1(c2cc(F)cc(CCl)c2O)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963066392 DOBBVVZAWXUUDY-ATUKEALCSA-N 758.135 8.490 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2)C2=C(CC(C)(C)C[C@@]23N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc23)N1 963172538 DBJHACNXXXZBEP-HPJWIMSGSA-N 542.001 6.412 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2ccc(C)s2)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@]21C 1857533776 NSWSWPQSYVIFLJ-VJHBFAFMSA-N 593.569 6.217 50 1 KKGF O=C(NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 1857549187 JCGCMPLDCJTYOH-UHFFFAOYSA-O 514.582 5.088 50 1 KKGF CC1=C(CO[Si](C)(C)c2ccccc2)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O[Si](C)(C)c5ccccc5)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)C1 1857585163 NIUYXFRPJOVPAP-PKGLDUEZSA-N 739.114 7.626 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCC2CC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857614426 PFHOXSMBKGPKKB-DXBRIBKISA-N 543.745 5.504 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccccc2-c2ccccc2)nn1 1857744351 UMODJNYTULVTCJ-CAFJAUFUSA-N 565.758 7.741 50 1 KKGF COc1cc(OC)c([C@@H]2O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 1911582688 OHKYDOUETPNUNA-FHCZXQGKSA-N 670.840 7.550 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](Cc5ccc(=N)[nH]c5C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@H]3N[C@H]4CCC[C@@H](CSSC[C@@H]3O6)C4)C1)C2 2356300014 JPVODEHOYIZATK-QWDSFGMYSA-N 884.133 8.792 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356312941 NVMJHAZFNIUGRB-UNWMQSNDSA-N 913.172 5.789 50 1 KKGF C=C1[C@H](O[Si](CC)(CC)CC)CC[C@]2(C)[C@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@H](OC(C)=O)[C@@H]12)C3(C)C 2356335659 CLIVETVICYKYSS-LBPCWDELSA-N 590.830 6.090 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C3CCCCC3)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@H](C)O 2356355541 GDWMPZLNNABWEH-IFJKYMISSA-N 993.479 8.169 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSSCC5=C(c5cc[nH]c5)C6)[C@H]4[C@H]2O)O3)c1O 2356359232 GOIOYSPHJZPEHE-DAMZEQDRSA-N 948.260 9.628 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@@H]1CC[C@H](O)Cc3cccc(c3)[C@H]3CSSCc4ccc5c(c4CC(=O)C(C)=C1CC[C@]2(C)O)[C@H](NC[C@H](O)C3)C(=O)N[C@@H]5N)[C@@H](CC=C(C)C)NCC 2356372489 FWAKTYPVRHCVSW-ZUXDIQNASA-N 969.368 7.243 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4[C@H](CNC(=N)N)[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@@]34C)[C@H](O)CC1=C1CCCC2(CCCC2)C1 2356476252 FTNWCJXOLUVFNE-PGQXAPTESA-N 864.276 7.584 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSS[C@@H]2CCc3c(cc(OC)c(O)c3O)[C@H]2CC(=O)C[C@H]1OC(C)=O 2356481507 RMYMXOUYPXUOAF-SSIFJDQWSA-N 547.739 6.099 50 1 KKGF COC[C@@H]1CC[C@@H]2C#C[C@@H]3NC(=N)N[C@H](C(C)C)CSSC[C@@H]3[C@H]3Cc4c5cc(c(c4O[C@@H]3O)OCN[C@]23CCCC[C@H]3C1)CC#Cc1c(ccc(O)c1OCO)CCC(=O)C[C@H](O)CC5 2356528289 SQQXCOREYNSZEB-SPRDWYCRSA-N 945.258 5.836 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](OCNC1CCCCC1)CC(=O)CC2 2356584768 RLIQSQSUXRIOGJ-IZLXSDGUSA-N 625.853 7.120 50 1 KKGF CNCc1ccc(CO)c([C@@H]2CC[C@@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@H](CCCO)[C@@]5(CC4=O)[C@@]6(C)CCSSC[C@@]34NC(=N)NC[C@@H]24)c1 2356732542 IQUISJOVUYASBA-CWAKZUDUSA-N 697.024 5.123 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CCCC4(CCCC4)C1)NC(=N)N[C@H]2C=CC[C@H]3O 2356775386 KTHGSNJOJUQWJF-MGPONDMASA-N 936.295 5.862 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](C5)C5(CCCCC5)SS3)[C@@H]4c3ccccc3)[C@@H]2[C@H]1C 2356838788 MDEIXHOOGUJEQO-OCAHAROFSA-N 808.163 10.490 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6c(CNCCCO)c(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O7)C4)N[C@@H](N)C=C5)C1)C2 2356871892 YMFQMRHYRPIRRH-KKYQLOGTSA-N 973.271 7.954 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccccc2Br)N1c1nnc(Cn2c3ccccc3c3ccccc32)o1 53243476 MRYUZZQNQYRSQV-FCHUYYIVSA-N 507.775 5.684 50 1 KKGF C[C@H](CNc1ccnc2cc(Cl)ccc12)NCCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 66098401 KSNGNQRNTQTVOB-YSJNTNPKSA-N 546.108 5.503 50 1 KKGF C=CCCCCCCCCC[P@](=O)(c1ccccc1)c1ccc2c(c1)OCCOCCOCCOCCO2 73369731 VNESALLUNPJGSF-LHEWISCISA-N 544.669 6.128 50 1 KKGF Cc1ccc(S(=O)(=O)n2cc(/C=C/C#N)c(-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3-c3cn(S(=O)(=O)c4ccc(C)cc4)cc3/C=C/C#N)c2)cc1 95551322 HEEOSQICULIPKJ-YDFGWWAZSA-N 761.907 7.135 50 1 KKGF C[S@](=O)c1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N[C@@H](OCCCl)C(Cl)(Cl)Cl 103220395 RPEVQASCBSXLTQ-BAJJSZBSSA-N 593.069 6.171 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccnc(N)c3)(CC/N=C(\N)NCSSCCCCCC[C@H](O)C1)CC2=O 150348717 HUEMZWCZVCMVSA-ORBKSGFDSA-N 771.063 5.865 50 1 KKGF biogenic,in-vitro C[C@H](O)C[C@H](CCc1ccccc1CCO)CC[C@@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](C1)[C@H](O)C2 150349111 HFZADEVDDGTCEC-WNQGTKOFSA-N 1011.340 9.107 50 1 KKGF biogenic,in-vitro Cc1cc(=O)oc2c3c(c(CBr)cc12)OC(C)(C)[C@H](OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)[C@@H]3OC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 150595403 JJQCYQOHEUISNH-KKJWCNJUSA-N 729.617 5.907 50 1 KKGF Cc1cn([C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171107 SEBXXWGNVSZTGZ-JZAUPOIBSA-N 749.183 7.762 50 1 KKGF CC[Si](CC)(CC)O[C@H]1CC[C@@]2(C)[C@@H](OC(C)=O)[C@H](OC(C)=O)C3=C(C)C(=O)C[C@@H]([C@@H](OC(C)=O)[C@@H]2[C@@]12CO2)C3(C)C 194851989 FQUUEVQWEWPIDX-JVJQIZFNSA-N 606.829 5.303 50 1 KKGF CC(C)[Si]1(C(C)C)OC[C@H]2O[C@H](N3C(=O)NC(=O)C[C@@H]3[C@@H](O)c3ccccc3)C[C@@H]2O[Si](C(C)C)(C(C)C)O1 195476951 LCVKRPARHSQQEA-MUAUJTQOSA-N 578.855 5.102 50 1 KKGF COc1ccc(OC)c(NC(=S)NNC(=O)c2cc(C34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c1 299826698 NBQVBGOTPZZHFK-UHFFFAOYSA-N 516.667 5.351 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6c(C)ccc7c6c(c5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O 586992634 FJCMWCYSGJJMHV-RCOJXTHMSA-N 654.634 8.950 50 1 KKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587323754 SXARFCYJPCGDFO-XAWMZQNOSA-N 538.251 6.225 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc([N+](=O)[O-])cc1Br 587538604 PXUUJLBONNQKCU-WIYYLYMNSA-N 535.144 5.315 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)c(Br)c1 587557155 LZJXHJRDSFBAOR-NQIIRXRSSA-N 508.137 5.546 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(c2ccccc2NC(=O)[C@@H](C)Cl)N1 587687141 FYFRDRGMNUGVHG-RKPUJPDHSA-N 501.827 5.980 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)N[C@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587687949 JBUOCRZLWCSKJP-TYYICDPESA-N 511.866 7.390 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(Cl)ccc(Br)c2F)N1 587722683 ZOVQYMAUPMNXIJ-WNWIJWBNSA-N 544.459 6.316 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@]2(C(C#N)=COc3c(Cl)cc(Cl)cc32)N1C(C)=O 963315140 BMJQODVXKPSMPI-QOIMHMMJSA-N 793.638 5.840 50 1 KKGF CC(C)C(C)(C)/C=C(\C#N)C(=O)N1CCC[C@@H]1Cn1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21 1772637730 QJNSJXHLEFIULN-IMKZUMICSA-N 548.691 6.596 50 1 KKGF O=C(CCCC[C@@H]1CCSS1)NCc1cn(CCCCOc2ccc3cc(-c4ccc(Cl)c(Cl)c4)c(=O)oc3c2)nn1 1857749052 WSAHHXJOLREDTB-XMMPIXPASA-N 647.650 7.548 50 1 KKGF O=C(NNC(=S)Nc1ccccc1Cl)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 1911576606 QVTIRIJFGCTJFH-UHFFFAOYSA-N 550.087 7.114 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CCC5(CCCC5)C4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356293368 MNTLZGHSJZCNEY-DEOBVBIDSA-N 843.033 5.566 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H](NCCCC1(O)CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356360627 KGQWOUFHXGIFHH-AFGSEZDASA-N 887.174 9.058 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSCC2(CCCC[C@H](O)C1)CCCC2 2356367465 DOMGIDUOQAYYCW-NGLOIDKWSA-N 969.412 11.484 50 1 KKGF C[C@@]12CCSSC[C@]34NC(=N)NC[C@@H]3[C@H](c3ccccc3)C=C[C@@H]4CCC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356374412 VPPWXCZHVVPNEF-HHMIILCHSA-N 621.913 5.687 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@H]2O)cc(OC)c1O 2356516407 WTTMGKRANVEFIH-PFXVPSSVSA-N 696.884 6.638 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1ccccc1 2356561370 AHYUEYJOUFLGQN-PNOASMGDSA-N 611.918 5.740 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@@](O)(C1=CC3=O)[C@]54CCc1cc(O)cc2c1 2356604198 RGIGOAOBPRHHLD-SGAIDWGKSA-N 964.341 7.508 50 1 KKGF CNCc1ccc(CO)c([C@@H]2CC[C@@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37NC(=N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@@H](CO)C5)c1 2356716240 HNNIKRJKJLQIAQ-OLWGZUHYSA-N 697.024 5.265 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24CCC[C@H]3[C@H]1OC4=O 2356809140 ANSLOGBZKFVWIR-RSFZYELOSA-N 810.999 5.590 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@@H](C)CSS[C@H]6C=CC7=C(NCC=C7CC3=C4C(=O)O5)N6)[C@H]21 2356869068 XHPHBKRZTOJXHO-XTHSNJIBSA-N 602.822 6.735 50 1 KKGF COc1ccc(OCI)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1 26376145 IXRLBPUBFNCBQQ-UHFFFAOYSA-N 521.326 5.951 50 1 KKGF CC(C)(C)OC(=O)NOc1cc2c(c3ccccc13)[C@@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 72138088 XTLVCBPHMQCFAN-QFIPXVFZSA-N 650.135 7.856 50 1 KKGF COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCCCCCCCCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1 72148969 ZIEZPZKDJNMKPU-YTTGMZPUSA-N 664.715 6.527 50 1 KKGF C[C@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(N)=O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(N)=O 95608187 KQQDTKLGLAIGOF-PLKRWIMUSA-N 808.668 11.004 50 1 KKGF CNC(=O)[C@H](Cc1c(-c2ccccc2)[nH]c2ccccc12)NC(=O)[C@@H](CC(=O)NNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1)CC(C)C 95615741 MLPPJTCCWGPRTB-MYVCOICNSA-N 758.739 6.100 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(C[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]([C@@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]32OO4 169294201 CRSJHIRCVZDTHB-KJUWOQRDSA-N 832.066 7.556 50 1 KKGF COc1ccc(/C=C/C(=O)N(/N=N/c2ccc(Cl)c(C(F)(F)F)c2)c2ccc(Cl)c(C(F)(F)F)c2)c(OC)c1 169312059 GGXFIODEMHFLGQ-VZKVSVTQSA-N 592.323 8.794 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@H](Cl)[C@H](Cl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c1ccc(N(CCCl)CCCl)cc1)[C@@H]23 473088674 PHMNRCLDJRBPKW-MEUOBDGXSA-N 538.560 5.019 50 1 KKGF COc1ccc(CSC(C)(C)[C@@H](NC(=O)OC(C)(C)C)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 586958361 BTWUWKAWNDVLJB-FQEVSTJZSA-N 567.646 8.507 50 1 KKGF FC(F)(F)c1ccc(Oc2ccc(-c3nc4c(Br)cc(S(F)(F)(F)(F)F)cc4[nH]3)cc2)cc1 587114640 VUICSFDHQZTDMD-UHFFFAOYSA-N 559.276 9.461 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587541459 BRCVZNTYEGMNBM-ABYGYWHVSA-N 511.917 5.019 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1Cc1ccc2c(c1)OCO2 587687053 FHGQECXZWFCIKY-SXBQZSJRSA-N 519.842 5.800 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2c(F)c(F)c(F)c(F)c2F)N1 587721621 PVISXGKDLOHZIH-ZWBDZOEQSA-N 503.078 5.456 50 1 KKGF CN1CCN(c2ccc(NC(=O)c3cc4cc(NC(=O)CCl)ccc4n3Cc3ccc(C(F)(F)F)cc3)cc2)CC1 653912237 YGRJOFCIUPSGRM-UHFFFAOYSA-N 584.042 5.890 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](CCCCCCCl)(c1cccc(C#N)c1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962625830 CZOQBWBYWBEORF-YZNIXAGQSA-N 539.072 6.440 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(CCCCl)c3ccc(F)c(F)c3)c(O)c2C(=O)O1 962936677 PIOOVJHERRGBSC-KKKNZISMSA-N 604.433 5.840 50 1 KKGF CNC(=O)c1cc([C@@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cn1C 963042141 QLEDDMYGFICJPF-CPBHLAHYSA-N 620.052 5.406 50 1 KKGF C[C@H](Cn1ccnc1[C@@H]1N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21)O[Si](C)(C)C(C)(C)C 963191091 YIUOETPVLTZVPQ-ZNZDAUKMSA-N 518.052 5.654 50 1 KKGF CCOC(=O)[C@]1(CCCCCCCl)c2c(ccc(OC)c2OC)CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963804863 BEUZMCZKUVNZGP-PMERELPUSA-N 555.071 5.400 50 1 KKGF CC(=O)N1CCc2cc([C@@]3(CCl)c4c(C)cccc4C[C@H](CC(=O)O)N3C(=O)OC(C)(C)C)c(Cl)cc21 963841356 MCKFEODQKCNTCQ-NGOKVRLYSA-N 547.479 5.676 50 1 KKGF O=C(NCc1ccccn1)c1cnc2c(SSc3cccc4cc(C(=O)NCc5ccccn5)cnc34)cccc2c1 1772579959 ZGBWITBAJFSYHV-UHFFFAOYSA-N 588.718 6.232 50 1 KKGF COc1c(Br)cc([C@@H]2C(C#N)=C(N)Oc3c2cc(Cl)c2ccccc32)cc1Br 1857535186 LMVLBCHMBMDOET-SFHVURJKSA-N 520.608 6.245 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@@H]1[C@H](CCCO)C=C[C@@H](C4=O)[C@@]512)NC(=N)NC[C@H]3Cc1ccccc1 2356404850 YUXJHICQCMVDPA-GMMRXGIESA-N 635.940 5.762 50 1 KKGF CCCCCCCCCCCCCCCC(=O)Oc1c(CC=C(C)CCC=C(C)C)c(O)c2c([C@@H](CC)OO)cc(=O)oc2c1C(=O)[C@@H](C)CC 2356412647 WVJSYWPTTUYENB-HJIQQCSTSA-N 710.993 12.290 50 1 KKGF COC[C@H](COC(C)=O)N(C)C(=O)CCC=CCCCC[C@H](Cl)CCCCCC(Cl)Cl 2356455816 JBEYLLUXESVNSE-LEWJYISDSA-N 500.935 6.281 50 1 KKGF CCCCCCCCC=CCCCCCCCC(=O)OCC(=CC#N)COC(=O)CCCCCCCC=CCCCCCCCC 2356457736 AVSNDOJFLGZFSF-UHFFFAOYSA-N 642.022 12.598 50 1 KKGF C=C1CC[C@@H]2[C@H](C=C(C)C(=O)[C@]3(C(=O)OC)C[C@H](C)[C@H](OOCc4ccccc4)[C@@H]3[C@@H]1OOCC)C2(C)C 2356674041 SDTJJXRTWBQJRR-WZXQJBNOSA-N 526.670 5.793 50 1 KKGF C=C(OO[C@@H]1[C@H](C)C[C@]2(C(=O)OC)C(=O)C(C)=C[C@@H]3[C@H](CCC(=C)[C@@H](OOCC)[C@@H]12)C3(C)C)c1ccccc1 2356743436 CKNMYOIOGOCGJM-DSNSNGGXSA-N 538.681 6.264 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SS[C@H]1NC2=C4C5=C(CC[C@@H]6CC[C@H](c7cccc1c74)[C@@]56C[C@@]1(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]1O)CN2 2356820283 FIYLSZJOWFLFCY-WPHRNGTJSA-N 947.141 5.418 50 1 KKGF CC[C@@H]1C2=CC3=NC2=CN1c1c2c(cc4c(=O)cc(C)oc14)C[C@H](OOC[C@](O)(Cc1ccc(O)c4ccc(O)cc14)[C@H](O)[C@H](O)[C@H](O)CO)[C@@]1(CC=C[C@@H](C1)[C@H]1CNC(=O)[C@@]14CCC[C@@H](CCC3)C4)O2 2356825444 HSEYSWJSBTWTCW-QDZNZEPUSA-N 974.117 5.599 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NC[C@H](Cc4ccccc4)[C@](Cn4ccnc4)(SSC1)C3=C2 2356842305 MMWDDLWXXCSZLA-DIOXJGRASA-N 684.928 6.523 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H](c1cccc(O)c1)C1=CC2=CN[C@@H]1N 2356874735 YYQXEOXJZFUMSZ-GPEFKUEOSA-N 604.794 6.311 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC(=CCN4)[C@]4(CC[C@]5(CCCC56CCCC6)C4)C[C@@]4(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356875275 ZOCRGYHBBLGJEC-OXDYXVPQSA-N 899.141 5.938 50 1 KKGF CN[C@@H]1[C@H]2C=C[C@@H](C[C@H]([C@H](C[C@@H](OC(=O)[C@@]34CCCC[C@@H]3CCC(=O)N4)C3(Cc4ccc(O)c5c4CCCO5)CCNCC3)OC(C)=O)CC[C@](C)(O)CSS2)[C@H]1O 85596698 MAPCJYKUWIMPOT-XPDKYBBRSA-N 844.150 5.138 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC/N=C(\N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 85627269 BIAPMEKKRSJFKJ-UEWWIASGSA-N 809.152 8.201 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@@H]3C=C[C@]5(CCC[C@@H]5C3)O4)CN3C[C@](Cc4ccnc(N)c4)(CC/N=C(\N)N[C@@]4(CCCC45CCCC5)SSC[C@H](CCc4ccccc4)CCC[C@@H](CC1)[C@H](O)C2)CC3=O 150348608 PTDHZNJNCIMQDI-ZWLTYQRGSA-N 1059.500 11.250 50 1 KKGF biogenic,in-vitro C/C1=C(\CCOC(=O)[C@@H](N)CCCCN)SS/C(CCOC(=O)[C@@H](N)CCCCN)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O 169335468 LNMVPMCZSCWVBB-SIAPSEBNSA-N 743.094 5.441 50 1 KKGF CCCCC[C@@H](/C=C/[C@@H]1[C@@H]([C@H](O)CCCCCC(=O)OC)C(=O)C[C@H]1O[Si](C)(C)C(C)(C)C)OCOCCOC 195498951 TXNZEFWXAGSEPE-FOVPWQMHSA-N 586.883 6.209 50 1 KKGF COc1cc(CCC(=O)/C=C(\O)CCc2ccc(O[Si](C)(C)C(C)(C)C)c(OC)c2)ccc1O[Si](C)(C)C(C)(C)C 211243422 WBRKYOQPMHBRCK-RWEWTDSWSA-N 600.945 9.048 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)O)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189714 FVIVAGAAZLMJGN-UATTUGJOSA-N 641.831 5.842 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2Cl)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322872 PKXBMUOHTQOLAL-LMSSTIIKSA-N 615.282 7.474 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452307 OELRGDMMRXIZSI-CRRLPVGBSA-N 524.167 6.579 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587542457 HEVYKXNPQIMZPH-QAYHBSDXSA-N 560.389 6.061 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1ccc(Br)cc1C(F)(F)F 587551187 YFLOOROKFGOONG-WIYYLYMNSA-N 558.144 6.426 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc3c(c2)C(C)(C)CCC3(C)C)N1 587672608 GPVKVVWUXBLPJJ-BZQUYTCOSA-N 523.328 7.110 50 1 KKGF COc1ccc(Br)cc1[C@@]1(CBr)N[C@H](C)Cc2ccc(F)c(Br)c21 587674360 WIIVEYTWNHYVGI-MLCYQJTMSA-N 522.050 5.532 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)c(Cl)cc12 587689538 UEBYEGXOBJLYIV-DDDOEAIBSA-N 562.266 6.178 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2c(F)ccc(Br)c2Cl)N1 587721682 QDGVWQDXMUWDCH-CQLKUDPESA-N 544.459 6.316 50 1 KKGF COc1ccccc1-c1ccc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)cc1 587932939 SEWLILVMOBFQAM-UHFFFAOYSA-N 505.306 8.325 50 1 KKGF CCN(CC)c1ccc(-n2nc(-c3ccc(OCCCC[P+](c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c3ccccc3c2=O)cc1 653851526 GDBJXUIYPMGZBE-UHFFFAOYSA-N 702.859 9.052 50 1 KKGF CN(C)[C@@H]1c2onc(OCc3ccccc3)c2[C@]2(NC3(CC3)Cc3ccc(Br)cc32)[C@@]2(O[Si](C)(C)C(C)(C)C)C(=O)C=CC[C@@H]12 961610195 AVWZORISPCPVJH-ZVYYSPPDSA-N 690.755 7.460 50 1 KKGF CC(=O)c1ccc2c(c1)[C@](c1ccccc1)([C@H](Cl)C(=O)Nc1ccc(Cl)cc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632084 RCYZJQWFQMYNID-ADRXYBOHSA-N 597.495 6.279 50 1 KKGF COc1ccc(C2([C@H]3C[C@H](n4cc(C)c(O)nc4=O)O[C@@H]3CO[Si](C)(C)C(C)(C)C)SCCCS2)cc1OC 1772574028 XOVCHKAKMMRPCH-TUACAJSNSA-N 594.872 5.923 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)Cc6cc7cc(F)ccc7nc6C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NNC(=O)c2cccnc2)CC[C@H]1C 1772615906 CNYLKDXBYHSJGJ-DMUBUSQISA-N 676.921 8.901 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356367563 BIAPMEKKRSJFKJ-KMLCJANTSA-N 809.152 8.410 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356374198 PPSNTWWLJXAHIU-LHUSUTCNSA-N 877.220 7.464 50 1 KKGF CC1=CC(=O)O[C@H]2C[C@@H](CC[C@H](C)C=CC=CCC1)O[C@](OC(=O)NCCCCl)([C@@H]1CSC(=O)N1)C2 2356385456 ZBKZGKOPNVIOTD-XQHPTCSASA-N 541.110 5.222 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)[C@H](O)c2cc(O)c(c(O)c2)[C@H](CCCCBr)CCCC[C@@H](C)[C@@H](OC(=N)O)c2cc(O)c1c(O)c2 2356549581 ABRCNJSDUYUPRX-YWWFYDRGSA-N 706.759 10.122 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@H](O)[C@@H]3O)c2c1O 2356562932 JVPVHPBIUBBVLS-PJQYZPQBSA-N 831.059 6.233 50 1 KKGF CC=CC=CC[C@@H](C[C@@H](CCCCCCc1cc(O)cc(OS(=O)(=O)O)c1)SS[C@@H](CCCCCCc1cc(O)cc(O)c1)C[C@@H](CC=CC=CC)OS(=O)(=O)O)OS(=O)(=O)O 2356568764 OZONNSYTHKPECL-XXIZJLHTSA-N 967.278 9.991 50 1 KKGF CC(=O)O[C@@H]1c2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@H](C)[C@H](OC(=N)O)c2cc(O)c(c(O)c2)[C@@H](CCCC(Cl)Cl)CCCC[C@@H]1C 2356582210 XLIYEZKUQXAJCM-YSMWXUHLSA-N 807.680 11.886 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C12CCCCC2 2356769675 KZBVKJOVRMEVHK-JBMDUEOPSA-N 967.386 8.569 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@@H](CSS[C@H]3CCC[C@@H](CC[C@@H](C5)c5cc(O)ccc5-4)C3)[C@H]2O)c(O)c(OC)c1O 2356769988 SZKWIAZIGKCVOY-GUAADKANSA-N 682.857 6.811 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@]4(CC3=O)[C@H](CC[C@@H]4c3ccccc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c1nc2ccccc2s1 29253116 OBBUKMLKRRJVMJ-QWHQAEARSA-N 534.725 5.759 50 1 KKGF CN(CCCCCCN1CNc2ccccc2C1)CCSSCCN(C)CCCCCCN1CNc2ccccc2C1 43409256 AQCSSBDZLSWNAO-UHFFFAOYSA-N 612.998 7.123 50 1 KKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1cc(Cl)cc(Cl)c1)OO2 64454324 NCOVGQLGSZNJTP-PBSHFDCUSA-N 520.456 8.616 50 1 KKGF Cc1ccc(/C=N/NC(=O)COc2ccc(N3CC4=C(CC(C)(C)CC4=O)N(c4ccc(Cl)cc4)C3)cc2)cc1 64548419 QFMTWJRACHMVPL-FABQOPTDSA-N 557.094 6.105 50 1 KKGF Cc1cc(N(CCCl)CCCl)ccc1/C=C1\CC/C(=C\c2ccc(N(CCCl)CCCl)cc2C)C1=O 66258642 QEIFHGXUHCVKMS-FQHZWJPGSA-N 568.416 7.701 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@@H](O)CC[C@@H](O[C@H](NCCCCO)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 85597305 BEISPNOEMNORKO-YIMJYPJGSA-N 851.097 6.719 50 1 KKGF biogenic,in-vitro Cc1ccc([P+](Cc2ccc(CCc3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95551529 OCEZLMWXUXGGJX-UHFFFAOYSA-N 817.050 12.311 50 1 KKGF CCOc1ccc(/C=C\c2cc(-c3nc4ccc(C(=O)NN)cc4[nH]3)c3cc(Br)ccc3n2)cc1 587003312 QXLDFDDNPHGZEK-BAQGIRSFSA-N 528.410 5.713 50 1 KKGF Cc1onc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)c1COc1ccc(Cl)cc1 587076377 ROBSHZOOJIQBTF-UHFFFAOYSA-N 544.727 8.179 50 1 KKGF COC(=O)C(C)(C)c1ccc(-c2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2CCCl)cc1 587357314 GJKMLXMVBBTNEW-UHFFFAOYSA-N 514.021 7.556 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)[C@@H]1c1ccc(F)cc1 587369213 FKZXWOHCIFGYPV-VPUSJEBWSA-N 525.985 5.453 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2cccc(F)c12 587633204 UYHFILXMQWZCQP-VAVVLIBISA-N 546.466 6.307 50 1 KKGF COc1ccc2c(c1OC)[C@@H](c1cc(S(F)(F)(F)(F)F)ccc1C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678069 OVYBALPMHHXRBF-HSZRJFAPSA-N 581.525 8.476 50 1 KKGF C[C@]1([C@H](Br)[C@@H](Br)c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903253 XAVFJXGYCLMSCX-BMFAXAFESA-N 505.609 5.193 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](c2c[nH]c3c(CC)cccc23)([C@H](Cl)c2ccccc2)N1C(C)=O 963316885 ODYCZFIHEVSTKW-AYVAMDGPSA-N 851.378 7.757 50 1 KKGF C[C@@H](Br)[C@@]1(c2ccc(Cl)cc2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccccc1 963442636 FMHGSLGDPFNRRJ-BPCUXKTRSA-N 537.841 6.000 50 1 KKGF O=C(NCCc1cccs1)c1cnc2c(SSc3cccc4cc(C(=O)NCCc5cccs5)cnc34)cccc2c1 1772602924 ZXYPACVVZOCLGB-UHFFFAOYSA-N 626.854 7.650 50 1 KKGF N#Cc1cnn2c(Nc3ccc(N(CCCl)CCCl)cc3)cc(CN3CCC(c4ccccc4)CC3)nc12 1772615285 LRSQLWQSIBWGTR-UHFFFAOYSA-N 548.522 6.008 50 1 KKGF COC(=O)c1coc([C@H](Cc2ccccc2)n2cc(C[C@@H]3C[C@@H](CCc4ccccc4)C[C@@H](O[Si](C)(C)C(C)(C)C)C3)nn2)n1 1857534635 OVCGHHIQPXUZIH-VUVHUBEFSA-N 628.890 7.867 50 1 KKGF CN[C@@H](Cc1ccccc1)C(=O)N(C)CC(=O)O[C@@H](CN(Cc1ccc(-c2ccccn2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C 1857620493 FBPOLCDPEKGBGS-ZBRMUCJXSA-N 937.152 5.052 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccccc4C)cc23)c2c[nH]c3ccc(C(=O)NNC(=S)Nc4ccccc4C)cc23)cc1 1857646282 KPMOOYLZHQDMLP-UHFFFAOYSA-N 750.954 8.017 50 1 KKGF C=C(C=O)[C@@H]1CC[C@]2(C(=O)OC)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CC#N)[C@H](C(C)(C)C(=O)COC(=O)c5ccccc5OC(C)=O)CC[C@]43C)[C@@H]12 1857657026 VNDDJBYSFFHVGJ-INVWGKOHSA-N 687.874 7.467 50 1 KKGF C[C@@H]1CC[C@H]2[C@@](C)(C(=O)Nc3cccc(NC(=O)[C@@]4(C)O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]4[C@]75OO6)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857766836 SSCNYRQXJPQQJF-CRKCJYDTSA-N 668.784 5.573 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSCC[C@H](C(=O)O)S(=O)(=O)O)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)C=CC=C(C)C2 2356342802 GQSPYHXXAXFCRB-PUNFNWPZSA-N 978.602 5.186 50 1 KKGF C[C@@]12CCSSC[C@@]34CC[C@@H](CC#Cc5ccccc5C[C@@H]3CNC(=N)N4)C3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356351808 GICOMDMIKUTMSE-AYPWDXHOSA-N 633.924 5.331 50 1 KKGF COc1cc2c3c4c1-c1ccc(O)cc1[C@@H](CC[C@H](C)CCSSC[C@@H]3[C@H](O)[C@@H](c1cc(OCCC(C)C)c(O)c(OC)c1O)O2)C4 2356360202 ZYMGTIJCAMODMS-ZSWSKJHJSA-N 682.901 8.332 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356370864 DIKZZPQEULMLLJ-IWGXVSHESA-N 844.191 5.578 50 1 KKGF CN[C@@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2[C@H]2CC[C@H]1CCCSS2)c1cccc(O)c1 2356371441 ZNRFJBLBKUIGNB-NUOYDLSCSA-N 659.870 8.454 50 1 KKGF C[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@@]5(CSSCC[C@@]2(C)[C@]31CC4=O)NC(=N)NC[C@H]5Cc1ccccc1 2356434193 IHAHPHIPCGBJIH-VITYUMTOSA-N 553.838 5.597 50 1 KKGF O=C(CCCCCBr)N1CCC(C[C@@H]2CC(c3ccc(Cl)cc3)=NO2)(C(=O)NCC2CCCCC2)CC1 38140376 SMNNGYQWMGYHMJ-VWLOTQADSA-N 595.022 6.484 50 3 KKGF Fc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1F 29399088 WZIXGRFXEJXMGH-UHFFFAOYSA-N 566.872 6.526 50 1 KKGF COc1ccc([C@H]2C(C#N)=C(/N=C/c3ccccc3Cl)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84714535 ZIJZSOSDNVWQAK-DQTSHQJUSA-N 578.075 5.575 50 1 KKGF Nc1nccc2c1CSSC[C@H](CO)[C@@H](O)[C@@H](Oc1cc3c(cc1O)CCC1=C[C@@H]4C#C[C@@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C[C@@H]13)C[C@@H]2Cc1c[cH-]cn1 85635185 NCFQXCCMHLAHBY-BJTRNXAGSA-N 789.053 5.402 50 1 KKGF biogenic,in-vitro COc1ccc2c(C)c(-c3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@H](c4ccccc4)C5)cc3)c(=O)oc2c1 95563037 VVZVCAGQWSYPTP-SMSORMJASA-N 530.580 5.986 50 1 KKGF CCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 95604135 GIGNUNNBHDZJIO-OFJYFGCMSA-N 517.707 5.114 50 1 KKGF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@]3(C)[C@@H]2[C@H](OO)C=C2[C@@H]4[C@@H](C)[C@H](C)CC[C@]4(C)CC[C@]23C)C1(C)C 136546323 BDOWVGURUZGRQP-GAZKWHOUSA-N 500.764 8.064 50 1 KKGF C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@H]4COC5(CCCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@@H]4COC5(CCCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 150557321 PRFCTVHQZMWKLO-QYUNNGKZSA-N 901.062 13.125 50 1 KKGF O=C(NC(=O)N(SSN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc(OC(F)(F)F)cc1)c1ccc(OC(F)(F)F)cc1)c1c(F)cccc1F 150584265 NOHKGPDVRKULMW-UHFFFAOYSA-N 782.594 8.665 50 1 KKGF C=CCO/N=C(/C[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616886 WGDOECSYODBCCA-IGQRELPMSA-N 631.807 6.436 50 1 KKGF C[C@@H]1CC[C@H]2[C@](Cc3cccc(F)c3)(C[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 253681797 CSXMYAHZUIGMRS-CJVUFPJLSA-N 656.744 5.906 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 261134948 LWTYDGJEOHWGQD-MBUQBDBISA-N 822.944 6.202 50 1 KKGF Cc1ccc(COc2ccc(/C=N/NC(=O)Nc3nc4ccc(CN5CCC(C)CC5)cc4s3)c(O)c2)cc1 299832387 VJZHAGHYOGJMKO-KBVAKVRCSA-N 543.693 6.277 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4/C=C\2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299841650 ZMYCLKSPUUAQFN-ITUJTKQASA-N 945.072 7.011 50 1 KKGF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]1)N2 587031733 PEMQASNJALCAKZ-FVNYMESBSA-N 575.448 8.110 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054688 ATBPDWCACCEVMW-ATVHPVEESA-N 514.438 5.592 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190890 UNPVMSHOGBSZCR-JKWMFXSVSA-N 660.900 6.427 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(CCCN2C(=O)c3ccccc3C2=O)[C@H]1c1ccc(F)cc1 587320701 GYIXBJQXZFQYJW-HOFKKMOUSA-N 538.369 5.100 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1)c1ccc(F)cc1 587333476 KNSPRGUYGAQOPV-SWZCSRCHSA-N 522.979 6.284 50 1 KKGF CCOc1ccc([C@@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)CC(=O)c3cc(C)cc(N)c3O2)cc1 587413319 GULHJVGNPHYMHJ-GUNSETOZSA-N 539.097 6.249 50 1 KKGF O=C1C[C@](CBr)(c2scc(Br)c2Br)Oc2c1ccc1c2CCCC1 587529662 ANVGQPNKYQYPAE-SFHVURJKSA-N 535.095 6.408 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CCl)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 587546572 WTQFUHDIGFZXKF-DLFZDVPBSA-N 525.988 6.081 50 1 KKGF O=C(CCl)Nc1sc2c(c1[C@]1(c3ccccc3)Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)CCCC2 587620048 WONZFAADCHGLLV-VIZCGCQYSA-N 546.044 6.415 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@](CBr)(c2c(C(F)(F)F)ccc(Br)c2F)N1 962926904 ODNBLULANRGKQD-CVDCTZTESA-N 619.203 6.342 50 1 KKGF Cc1sc2c(c1C)CCN[C@]2(CBr)c1cccc(I)c1Br 963013708 RXUOZBBZCVNCJW-MRXNPFEDSA-N 541.090 5.516 50 1 KKGF Cc1onc(-c2cccc(Cl)c2Cl)c1[C@@]1(CBr)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963067592 QNUFWMUIGAERDL-PWWNZBMUSA-N 679.395 7.074 50 1 KKGF C[C@H](Cl)[C@]1(C#C[Si](C)(C)C)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079775 PPRJLLVDJAZHDA-KNPXTWQLSA-N 744.253 8.346 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CBr)C1CCCCC1 963083465 YJYRHHQCMVOTOT-ISJBWFOZSA-N 535.479 5.336 50 1 KKGF N#C[C@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1ccc(C(F)(F)F)nc1O 963192136 ITURNLDNPORNJO-NFBKMPQASA-N 502.334 5.567 50 1 KKGF Cc1ccc(C(=O)[C@H](Cl)[C@@]2(c3ccc(C)c(C)c3)c3cccc(Br)c3CCN2C)cc1C 963282826 YGDNSGABKDAWTR-WUFINQPMSA-N 510.903 6.905 50 1 KKGF COc1ccc2c(c1OC)[C@@](CBr)(C13CC4CC(CC(C4)C1)C3)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963809752 XTUQZVZUTBKJGF-VAYUVDINSA-N 591.546 6.259 50 1 KKGF CC1=C[C@@H]2C(=O)c3cccc4c3C(=O)[C@@]2(CSS[C@H]2Nc3nccc5c3-c3c2cccc3[C@@H]2CCC[C@]52C[C@]2(O)[C@@H](O)[C@H](O4)O[C@H](CO)[C@H]2O)C(O)=C1 2356300639 OEDNCWDGHRFWBI-QLJZLGJASA-N 754.883 5.109 50 1 KKGF CN[C@@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1ccc(NCC(C)=O)c(CO)c1 2356358904 ZIPZUSGMDXIZEA-ULCAKVCISA-N 744.976 8.069 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]2SSC1 2356364092 PVQUNZQBGXLOBG-YCUVGTEKSA-N 642.031 10.517 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H](C(C)(C)O)O3)O1 2356443362 JGLSJPDQQYTORX-OOWIMERYSA-N 669.771 6.145 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@]3(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356580385 POBGPCVUKBTWEA-RRLXJEIFSA-N 781.091 6.282 50 1 KKGF CC[C@@H]1CC[C@]2(c3cc[nH]c3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@H]2C1 2356614282 OOBVZQOHZBMRFU-IWIFXLGUSA-N 531.740 6.253 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356638333 ZVUXZIIHUFVJDO-ZFHINHETSA-N 817.121 5.307 50 1 KKGF CC(=O)O[C@@]12C[C@H](O)[C@H]3CCCCCSS[C@]4(CCCC45CCCC5)NC(=N)NC[C@@H]4CC[C@@H](c5ccccc5)[C@@]45CC(=O)N(Cc4cc(c6c(c4O)O[C@@]47C=C[C@H]6C[C@@H]4CCC7)C[C@H]1CC[C@H]3C2)C5 2356645233 JKTZXSNJFDBLEX-ATXPCJNNSA-N 991.418 11.431 50 1 KKGF CCCCCCCCC[C@H](Cl)CCCCCc1cc(O)c(CCCCC[C@H](Cl)CCCCCC)c(O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c1 2356687546 SNZCABRUTZVTFC-BTYGEFOKSA-N 689.846 9.742 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)cc(O[C@@H]5CC[C@H](O)CSSCCC[C@H]5O)c4c(=O)c3O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356753829 JHNJJKNMMLXZBT-IUGPUXMESA-N 786.072 7.946 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](C6)C6(CCCCC6)SSCC6=CC[C@H](C)C[C@@H]6[C@H](O)[C@@H]53)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356815027 CNUUQSXYBLYNQO-VRHZXSITSA-N 784.141 10.326 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@]23CC4(CCCC4)C[C@H]2C=CC2=CNCN23)SSC1 2356856190 RYJXKDJVNINCMG-QMKPUCKUSA-N 727.009 8.441 50 1 KKGF O=C(c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1)C(Br)Br 49784655 YMFAPICYRIGBPP-UJKMTWAASA-N 551.234 5.382 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccn2C)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118922554 ISKQMPRXCVXJIK-GWKVJLGTSA-N 576.517 5.186 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNC(=O)CC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169297026 QDNYGRJDRIMPOK-ORSOSKJUSA-N 633.823 5.774 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] 299810483 ZZMUBGNZEPPZHL-WTDMPBFUSA-N 897.148 7.237 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191119 PBNSFIQGGYDWOO-TXJNDQRYSA-N 666.185 7.009 50 1 KKGF CC(C)CCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587227640 ZFYVDPBLWBQPDY-VWLOTQADSA-N 658.531 10.389 50 1 KKGF COc1cc(Cl)c([C@@]2(CBr)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1OC 587319563 CDGOVOZZNKLYPT-ISKFKSNPSA-N 521.766 5.851 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)[C@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587326328 KVMNNSKCAPHPQY-BHBYDHKZSA-N 527.935 5.556 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1NC(=O)c1sc2ccccc2c1Cl 587375171 RMAFJSQRJKDLCJ-NEEKEDPPSA-N 609.506 7.695 50 1 KKGF O=C1C[C@](CBr)(c2c(Br)ccc(Cl)c2F)Oc2c1ccc1c2CCCC1 587501607 CLNWXORPXXGVGR-FQEVSTJZSA-N 502.605 6.376 50 1 KKGF O=C(NN[C@H](c1ccccc1)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587579495 OAUBYXNUJNCLPJ-ZYEHPWHCSA-N 542.591 5.925 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)[C@H]1CC[C@]2(C)[C@]1(C)CBr 587672206 DZYWQNXAUZOMRQ-ZPSLJJIOSA-N 524.110 5.912 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)N1 587674627 YFWHZAPJOKEVMG-OWJWWREXSA-N 564.249 6.248 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)c1ccccc1C2=O 587687951 JCRIRDOGLYTJSH-CIICLBFASA-N 527.821 5.525 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@@]3(CCl)N[C@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1 587689953 XXIDWLOXDUOTSW-SGANQWHYSA-N 505.859 6.411 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cc(/C=C(\C#N)c3cccc(C(F)(F)F)c3)n(C)c2)(c2ccccc2F)N1 587717443 WZPDPWQUUCSYMY-NPXGILSCSA-N 612.440 7.975 50 1 KKGF Cc1c([C@@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)sc2ccc(Cl)cc12 587851205 BHCZADSKZKQRIM-SBKAZYGRSA-N 517.689 6.937 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)N[C@@H](C)Cc4cc(Br)c(F)cc43)sc2n1 587858197 PETSYBBMXGCDLG-YTEVENLXSA-N 510.860 5.790 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@]1(/C(=C(/C)NNC(=O)Cc3ccccc3)C(=O)c3ccccc31)N2C(=O)OC(C)(C)C 962711604 PULUZZSUONAANW-XHOOIRRGSA-N 625.697 5.054 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@]3(c3cccs3)[C@@H](C)Br)c(O)c2C(=O)O1 962972156 QRROOEWFJYNMAD-ROLCGXKPSA-N 604.906 5.387 50 1 KKGF COc1ccc([C@@]2(CBr)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-] 963019437 OVGIOWVAVYKAFB-AMGIVPHBSA-N 598.837 5.528 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CBr)(c2ccc([N+](=O)[O-])cc2)N1C(=O)c1ccc(Cl)cc1 963022177 OSHIMRJSUBAMOI-GJZUVCINSA-N 568.811 5.520 50 1 KKGF COc1ccc(C(=O)[C@@H](Cl)[C@@]2(c3ccc(OC)c(OC)c3)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1OC 963071545 LQILSBOPVBICOY-NYIPJGRRSA-N 709.192 5.934 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](CCl)(c2c(-c3ccc(Cl)cc3Cl)[nH]c3ccccc23)N1 963168078 FRIUQFXLXXHDES-UQBPGWFLSA-N 588.240 7.895 50 1 KKGF CC[C@@H](Br)[C@]1(c2ccc(NC(C)=O)cc2)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963852677 DDWAQFRFLKDBMO-FAHANXHHSA-N 559.501 6.007 50 1 KKGF C[C@H](O)C[C@H](CCc1ccccc1)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356301552 WUNFWIMQTVHCBK-NUEUKJLJSA-N 994.333 10.176 50 1 KKGF COc1cc2cc(c1O)CN1C(=O)C[C@@H](C[C@H](NC(=N)N)CSSCCCCCC[C@H](O)C[C@@H](OC(C)=O)CC2)[C@@H]1CCC(C)C 2356355677 VFMOMFGRYDWKGC-KMMGOQOWSA-N 680.978 5.757 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](CCOC)([C@@H]2CCC[C@@H](NC[C@@H](C)O)C2)NCC2=C[C@H]1CCC2 2356430188 OYJOUISXEQLMRM-JEVAJCKFSA-N 998.400 6.248 50 1 KKGF C[C@H]1[C@H](C)C[C@H](C(=O)OC(=O)c2ccccc2)[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@H](OC(=O)c6ccccc6)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 2356586593 HBEBCPGUWLUVFW-SOHYXNNLSA-N 664.927 10.109 50 1 KKGF C=C1C(=O)O[C@@H](C=C(C)CC(C=O)=CCCC(C)=C[C@H]2OC(=O)C(=C)[C@H]2CCC(C)=O)[C@H]1CCC(C)=O 2356661681 LNBUXSXUGOZNBS-GCFVYEKYSA-N 510.627 5.109 50 1 KKGF CCCC=C[C@@H]1OC(C)(C)O[C@H](C[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356682540 NAANPMTYGDOOLH-RKGOUYDBSA-N 847.203 9.799 50 1 KKGF CC1=CCCC(C=O)=C[C@@H](OC(=O)c2cc3c(c4c2c(-n2oo2)cc2ccccc24)OCO3)CC(C)=CCC1 2356699807 JXSWUEJUEYVHLC-QHCPKHFHSA-N 527.573 7.206 50 1 KKGF C[C@]12CC[C@H](OC(=O)c3cccnc3)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=NNC(=O)c3cccnc3)CC[C@@H]12 2356736956 DKNFYEFBCLXZNI-YTASFOGUSA-N 512.654 5.751 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@@H](O)C5 2356754005 XUHVNZPANIRAIJ-YSOGPUHZSA-N 824.159 6.999 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1CC[C@H]([C@@H]2CSSCc3ccccc3CC[C@H]3c4c(ccc5cocc45)CCC[C@@H]3NC(=N)N2)C1 2356768711 UBICITBYWJWTHD-NKRPYLMQSA-N 920.383 12.421 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)CC[C@]3(C)O[C@@H]3CC[C@@]2(C)[C@H](Br)CC1 2356774862 FAZRQMPAZJJPQF-GYPJDVINSA-N 584.389 7.245 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(C[C@H](CO)CCCO)CC7)[C@H](O)SSCNC7=CC(=CCN7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356850215 QAMXPYXJLLRDQE-ZUWIQFOUSA-N 942.254 7.624 50 1 KKGF O=C(Nc1ccc(N(CCCl)CCCl)cc1)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1 72173549 KMOIOQIVUYIPCV-UHFFFAOYSA-N 587.511 8.094 50 1 KKGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 150589899 ZRUNYOFSHFEXEH-VLZNPVHKSA-N 776.902 9.199 50 1 KKGF C/C1=C\[C@H](OC(=O)c2cccnc2)[C@@]2(COC(=O)c3ccccc3)CC=C(C(C)(C)OO)[C@@H]2[C@H](OC(=O)c2cccnc2)C[C@]2(C)O[C@@H]2CC1 161845378 FDAHWIIHUAQTGL-DQYOSEIYSA-N 682.770 6.573 50 1 KKGF O=C(O)c1ccc2c(c1)[C@@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1cccc([N+](=O)[O-])c1)N2 169299529 IZYGMLSUEPIQQQ-KAVIJBJXSA-N 525.970 6.240 50 1 KKGF C[C@H]1CC[C@H]2[C@@](Cc3ccc(F)cc3)(C[C@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@H]3[C@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 169372843 XKKWJFZWAWKYNA-JGWWTRHWSA-N 656.744 5.906 50 1 KKGF CCCCCCCOc1c(C(=O)N/N=C/[C@@H]2C[C@H](C)Sc3sccc32)sc(C(=O)N/N=C/[C@@H]2C[C@H](C)Sc3sccc32)c1OCCCCCCC 212901354 NIPQZZZUZUCLPI-BYXGFACCSA-N 789.193 11.337 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](n2ccc(O)nc2=O)O[C@H]1CNP(=O)(Oc1ccccc1)Oc1ccccc1 299806055 DXEQJDVNWKMZDS-CUYJMHBOSA-N 573.659 5.483 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1[C@@H](O[Si](C)(C)C(C)(C)C)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 299809337 PRMIBYNRLGYONF-IPGSIDPGSA-N 516.927 9.389 50 1 KKGF CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@H]3O[C@H]4O[C@@H]([C@@H]3OCc3ccccc3)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O4)cc1 299869860 VMSVZEXKTAPHHR-OVNBETBPSA-N 770.841 7.220 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587322185 GMMLOJSCJWUNDQ-WTGSTYHVSA-N 565.523 8.398 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1OC)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O 587450492 FOIWVUJAPOZRDC-VKGTZQKMSA-N 524.038 5.513 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@@]2(c3ccc(C(C)(C)C)cc3)N[C@H](C)Cc3cc(Br)c(F)cc32)C1 587854591 DDWJHVQKHGNSRE-OJXHOQKUSA-N 618.056 8.075 50 1 KKGF CCOC(=O)c1c(CBr)n(C)c2cc(C#Cc3cc(Cl)ccc3OC)c(OC(C)=O)cc12 587898947 UVAOBMZRNVTOAR-UHFFFAOYSA-N 518.791 5.237 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(OC)cc3)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962472438 GZRHJADQRIVORB-QYOMTSRPSA-N 733.615 7.249 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)(c1ccccc1I)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962678637 MJCKBQRXRWXCQP-VWLOTQADSA-N 660.268 6.664 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CCCCCCCl)(c2ccccc2OC(F)(F)F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963035460 HZWAKGSQXNFWBY-GOJCVTOHSA-N 714.127 9.557 50 1 KKGF N#C[C@@H](c1ccccc1)N1CCc2ccccc2[C@]1(CBr)c1ccc(C(F)(F)F)nc1O 963192139 ITURNLDNPORNJO-NZQKXSOJSA-N 502.334 5.567 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@]2(CCC[C@H](Cl)C2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963221132 WMHCWLVUMZOQEJ-CBINSFNDSA-N 608.003 5.846 50 1 KKGF CCOC(=O)[C@@]1(CCCCCCCl)c2cc(OC)c(OC)cc2CCN1C(=O)C(=O)c1c[nH]c2ccccc12 963807625 KPRSCMHATJBJLG-SSEXGKCCSA-N 555.071 5.400 50 1 KKGF C[C@@](O)(CS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 1857550570 VUZANPQKPQZCET-MRXNPFEDSA-N 558.425 5.434 50 1 KKGF C[C@H]1CCCC=C[C@@H]2C[C@H](OC(=O)c3ccc(N(CCCl)CCCl)cc3)C[C@H]2[C@H](OC(=O)c2ccc(N(CCCl)CCCl)cc2)C=CC(=O)O1 1857645977 UHOYQJYTLAZBRP-USGPILJJSA-N 768.606 8.260 50 1 KKGF COc1cc(N(C)CCN(C)C)c(NC(=O)[C@@H]2CCCN2C(=O)[C@H](F)Cl)cc1Nc1ncc(Cl)c(-c2c[nH]c3ccccc23)n1 1911584682 IEBPFOSXVXMTBW-CUBQBAPOSA-N 657.578 5.492 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@@]2(C)O)CCC=C(C)C 2356349702 LWSGUNGOUFKFAD-YLYMHRKWSA-N 538.769 6.036 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(OC)c3c(c(CO)c2O1)O[C@H]([C@](C)(O)[C@@H]1CCN(CCCOC)[C@@H](CC)C1)C3 2356365599 OPEBGPVYIOESDE-LRPLHVBRSA-N 800.946 5.168 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(c(CO)c3c(c2OC2CCCCC2)C[C@H]([C@](C)(O)C2CCN(CCCOC)CC2)O3)O1 2356367059 VQPOSIJMTDFNAE-IPQRENSOSA-N 810.985 6.874 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSS[C@H](CCCO)[C@@H]6CCC[C@H](CO)[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@H](O)C[C@@]35C 2356371602 MIVUNPKOOUMSLD-JCWLLCSYSA-N 936.287 6.524 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356539849 CAXXESPPODFQSZ-OIQNDKBASA-N 905.274 8.162 50 1 KKGF CN[C@@H]1CC[C@]2(C=CC[C@H](C)C2)[C@@H]2C[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OC)c3)[C@H](O)C[C@@H](OCO)CC4)CC[C@@H]12 2356635852 MQSGBIPBNNYXLW-ABZUSRQFSA-N 832.135 6.690 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1Cc2cccc(c2)C[C@@](C)(CCOC)NCC2=C[C@H]1CCC2 2356672674 SICMJLYMVUWQSB-IQUZFVRXSA-N 827.160 6.378 50 1 KKGF CNC[C@H](NC[C@H](C)O)[C@@H]1c2cc([C@H](O)COc3cc(CCc4cc(CO)c(CCCC[C@@H]5C[C@H](N)[C@H]6CSSC[C@H](NC(=N)NC)[C@@H](C)CC[C@H]5C6)o4)ccc3O)[nH]c2[C@H]2C=C[C@@]13CCC[C@H]3C2 2356683927 GQNSPINKPVRSQB-ZEWVWBETSA-N 990.435 7.795 50 1 KKGF CN=C1NCSSC[C@@H]2CCC[C@]2(Cc2ccc(O)c(OC)c2)C(=O)C=CCCc2cc(c(O)c(O[C@]3(CNC)CC[C@@H](CCOC4CCCCC4)C3)c2)N1 2356769547 HRCPUEHXNPZSSC-FKEHVZJOSA-N 795.125 8.410 50 1 KKGF CN[C@@H]1CSSC[C@H]2c3cc(O)ccc3[C@@]34[C@H](CC[C@@]35[C@H](O)[C@H]1C[C@@H]1[C@@H]3C=C[C@H](O)[C@]6(O)O[C@H](C(=O)Oc7c(CO)[nH]c8ccc9cc%10ccccc%10cc9c78)[C@H](O[C@H]15)[C@]36O)C[C@@H]1CC[C@H]2[C@@H]14 2356770015 UGPOFNVSBFMNGC-RUNHJYRPSA-N 945.169 6.168 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)CCC[C@@H]2CSSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@H](C[C@H](O)OC)C3)c2O)C1 2356775007 HGXQCQDANOJDPX-DGMFGFGCSA-N 813.140 7.832 50 1 KKGF CNC[C@@H]1C[C@H]2C=C[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCc4c(cc(CN5C=C6N=CC=C6C5)[nH]c4=N)-c4cc(cc(N)n4)CC[C@@H]4O[C@@]24C(=O)O[C@@H]13 2356817311 DJQGTDSQSBVGRF-WOTWRLNVSA-N 888.085 6.170 50 1 KKGF CCCC[C@@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 29241346 RBGBYUGLTLOTDN-AHKZPQOWSA-N 641.548 5.289 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccc(Cl)c(Cl)c2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802476 HMOVZYKCWLCOLL-FQTKJPKYSA-N 543.394 6.962 50 1 KKGF COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1ccc(Br)cc1)C(=O)OC)NCCC(=O)c1ccc(Br)cc1 72115310 LVTSQDAXYPQFIF-ZEQRLZLVSA-N 718.530 5.481 50 1 KKGF CO[C@H]1[C@@H]2C[C@H]3C(C)(C)O[C@@](C/C=C(\C)C=O)(C2=O)[C@]32Oc3c(CC=C(C)C)c4c(c(O)c3C(=O)[C@H]12)C=CC(C)(C)O4 137104699 PSPHEZYRWQNMDW-JDRKPRMKSA-N 576.686 5.332 50 1 KKGF C=C(/C=C/C=C(/CO)[C@H]1C[C@H]2CSSCC/C(C(=O)Cc3cccc(C(N)N)c3)=C3\CC[C@@](C)(O)[C@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C 150342579 MJELDTMLXDXABX-ANFVSDHDSA-N 711.047 6.490 50 1 KKGF biogenic,in-vitro COc1ccc([C@H]2[C@H](Cl)C(=O)N2c2ccc(-n3c(Cc4ccccc4Nc4c(Cl)cccc4Cl)nc4ccc(Br)cc4c3=O)cc2)c(O)c1 150589891 ZRUNYOFSHFEXEH-LRHLLKFHSA-N 776.902 9.199 50 1 KKGF C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)c5[nH]c6cc(Cl)c7c8c6c5[C@@H](OC(C)(C)[C@@H]5C[C@H](C(=C)C7)[C@]85OO)[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O 169315064 AUTDCLGPFBSRDM-WALDKAMLSA-N 650.212 6.159 50 1 KKGF CCCCCC[C@H](Cl)[C@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928797 PWBCODFOAWWVMF-SXYSDOLCSA-N 709.406 8.079 50 1 KKGF CCOC(=O)c1pc(P(Cl)Cl)c2n1[C@@H](N=Nc1cccc(Cl)c1)C(=O)Nc1ccc(C)cc1-2 299807197 IGBYQXCLGWWTBS-QGZVFWFLSA-N 541.699 7.523 50 1 KKGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccc(Br)cc3)N(CCCl)CCCl)cc(O)c21 473081759 CZTKGAAXBHCTHW-QFIPXVFZSA-N 549.248 5.505 50 1 KKGF COc1cc(/C=N/NC(=O)c2nn(-c3ccc(F)c(Cl)c3)c(-c3ccc(Cl)cc3)c2C)ccc1O 474603323 BVRHFKOWZPGLQA-VFLNYLIXSA-N 513.356 5.772 50 1 KKGF COCCN1C(=O)CC[C@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@H]1c1ccccc1Cl 587062480 VZQBBYWZMBIECS-MGPUTAFESA-N 509.928 6.967 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)cc2)cc1 587322152 LMJYNVLUXITKOV-MFMCTBQISA-N 624.300 7.425 50 1 KKGF CN(C(=O)CCl)[C@]1(c2ccccc2Cl)CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587325043 BRZHBFHGQKQHBT-PIZZNKLWSA-N 542.434 6.449 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C(C)(C)C 587850380 PQARJPQKMAKUEQ-KSTXALNGSA-N 788.867 11.177 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1c(I)cccc1CBr 587894988 JZOJKAHAFWBUDV-UHFFFAOYSA-N 537.022 5.203 50 1 KKGF Fc1ccc(Br)c([C@@]2(CBr)c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962649247 ZSIPGTPOWRJBPZ-PXDATVDWSA-N 530.279 5.974 50 1 KKGF COc1ccc2c(c1OC)[C@](CCl)([C@@H]1CCCN1C(=O)OC(C)(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962677626 QSZYSEBUFPBICN-DWACAAAGSA-N 583.047 6.255 50 1 KKGF COc1ccc2cc([C@]3(CBr)NCC4(CCOCC4)c4cccc(C(F)(F)F)c43)ccc2c1 962955309 LWMWYELLPJTKDR-VWLOTQADSA-N 520.389 6.157 50 1 KKGF Fc1ccc(C(F)(F)F)c(F)c1[C@]1(CBr)NCC2(CCOCC2)c2cc(C(F)(F)F)ccc21 962958517 QCEBTZBBXDLTHZ-HXUWFJFHSA-N 544.280 6.292 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CCCCl)(c2ccccc2C(F)(F)F)N1 963166472 XKURMOAVMDNNGY-PIZIKKFZSA-N 670.175 8.248 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](CBr)(c2c(C(F)(F)F)ccc(Br)c2F)N1 963176004 HJGTUGYGOBRKNB-SUMWQHHRSA-N 613.549 6.517 50 1 KKGF O=C(O)[C@@H]1Cc2cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c2[C@@](CCl)(c2ccc(O)cc2O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963230289 XIAYOJPLSKDWKE-ZOYWYXQUSA-N 662.007 5.363 50 1 KKGF COC(=O)c1ccc([C@@]2(CBr)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)s1 963818846 UHFFERLPEPZJNI-RUZDIDTESA-N 511.441 5.379 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CCCCCCCl)c1ccc(Cl)cc1Cl 963855087 QZOWOSRLNWVUGS-KPURRNSFSA-N 568.969 8.371 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@]3(c3ccc4c(c3)cc(O)n4C)[C@H](C)Br)nc(Cl)nc21 963928839 PDVVFNJIJRSYEY-OLRZCDJHSA-N 595.929 6.053 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)N2CCCC2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857600085 HSRJBFBYQSOYJP-MJZADXPTSA-N 542.761 5.173 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356292277 MVXNDHSRIFXHJF-FRUPOLOSSA-N 875.215 7.764 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356353928 DSKZILNPXIEHDU-CYJNYKEYSA-N 775.084 5.658 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356359735 RMYUEBFSQAJCFH-ZAISWBQYSA-N 805.120 7.643 50 1 KKGF C=C(C)[C@H](CC[C@@H]1C(=O)O[C@@H]2C[C@]3(C)C4=CC(=O)[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]12)OO 2356411499 QRFKWBARTXTCMY-XBNGNUHKSA-N 500.676 5.498 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@H](C)[C@@H]3CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(CC)=C1C 2356455679 DULFITMGTLVBII-SBNRBSENSA-N 841.150 12.314 50 1 KKGF CC1(C)OC(=O)C=CC2=C1CCC1=C(CC[C@]3(C)[C@H]([C@@H]4C[C@H]5C[C@H]4OC(=O)[C@]5(C)O)CC[C@]13C)[C@@H]2OO 2356537038 WYQHRRVAISWYHU-ZIXZRIGQSA-N 512.643 5.042 50 1 KKGF CC[C@H](O[Si](C)(C)C(C)(C)C)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@H]1C 2356699296 MHVWYQXMFPWHMB-XEKKBOMISA-N 519.755 6.442 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)C 2356732972 MKOPDDSKRCCERF-LATNRODASA-N 633.914 6.561 50 1 KKGF CC[C@H](CC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(Br)C[C@@H](Cl)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C 2356743861 IEJKMUZABMNWPG-BOZBYJJUSA-N 528.059 9.048 50 1 KKGF CN[C@@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1cccc(CO)c1 2356748388 BGGNTKRHHFGOTB-GEFQOZRDSA-N 673.897 8.068 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]23[C@H]4C(=C(C)C=O)[C@@H](C=C[C@]4(CCO)C=C[C@]12O)C[C@@]3(C)O)CCC=C(C)C 2356774494 ZJCXCUZNFKCXMG-FCJZSPQISA-N 534.737 5.302 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c(c1OCNC1CCCC1)OC[C@H]([C@@H]1CNC(=N)N[C@@H](C(C)C)CSSC1)C3)CC[C@H](O)CC(=O)CC2 2356780539 YTHGXSOWWNYEHD-DWSSOIHDSA-N 765.055 5.763 50 1 KKGF CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@@H]3O[C@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 2356791302 GNYKSGURCLGHOD-LQGXGZIKSA-N 571.637 7.018 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(C[C@H]([C@H]3CNC(=O)C3)CC[C@@H]1CNC1CCCCC1)O2 2356812175 BSKMDYANXNNYHA-AODVZXORSA-N 979.137 5.014 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356812275 BSPLOVWBPFJBAV-SXLHQFSNSA-N 853.028 7.284 50 1 KKGF CC[C@@H]1CC[C@]2(C3=CCN=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@H]2C1 2356867898 WXGURZZHGAKCDU-NWRHNEBHSA-N 531.740 5.984 50 1 KKGF CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(CCC(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 26831525 KKLMRJSMWOEEFA-OAQYLSRUSA-N 627.413 5.695 50 1 KKGF COC(=O)N(NC(=O)c1c(OC2CCN(C(C)(C)C)CC2)c(-c2ccccc2)nc2ccccc12)c1ccccc1 36126761 WVUQXKZYKKWCCM-UHFFFAOYSA-N 552.675 6.461 50 1 KKGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCCCCCCCCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 43490899 SKYUBHANOPUBCE-RPCRKUJJSA-N 574.678 5.157 50 1 KKGF C=C(CC[C@@H](O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@@H]2O[C@H]([C@@]3(C)CC[C@H](Br)C(C)(C)O3)CC[C@@]2(C)O1 140468437 ZAFALSYXVNIPJK-UODHSEOYSA-N 587.636 5.989 50 1 KKGF CN(C(=O)[C@@H](Br)CBr)c1ccc2c(O)c(/N=N/c3cc(NC(=O)[C@@H](Br)CBr)ccc3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1 150345336 VQHZGUHJQQJQMU-ONHLAWJISA-N 880.182 5.672 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@](C)(O)[C@@H]2CCCNC2)C1 169851862 CCSNJCXSNTXCPB-VMBRPMLTSA-N 517.915 7.786 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@@H]2CC[C@](C)([C@@H]3CC[C@H]([C@]4(C)CC[C@@H]5OC(C)(C)[C@H](Br)CC[C@@]5(C)O4)O3)O2)O1 238762381 IHYMUZLNURDSFR-QPWIKGDSSA-N 587.636 6.229 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(=O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253634874 VMDPKVPTUTUSNH-XQHZCKCRSA-N 590.754 5.837 50 1 KKGF CC(=O)OCC(=O)[C@]1(OC(=O)c2cnc3ccccc3n2)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253682423 CKPJCFKFLBFNMI-SCGSBTNBSA-N 625.549 5.790 50 1 KKGF CN(C)Cc1ccc2nc(NC(=O)N/N=C/c3ccc(OCc4csc(Cc5ccc6c(c5)OCO6)n4)cc3O)sc2c1 299831724 QVNBIOVLKMLPGF-IURWMYGYSA-N 616.725 5.574 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)OC(=O)N3CCOCC3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 299846040 BWDIHRFUJAHQMB-KUWYHPFGSA-N 569.827 7.000 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3c(Br)cnc(Cl)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587055738 MGIDGURBMMSITQ-QPEQYQDCSA-N 521.633 7.152 50 1 KKGF CCn1c(-c2ccccc2)c([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c2ccccc21 587325110 CDMFWSGVLFLBKA-AKGWNBJDSA-N 526.007 7.666 50 1 KKGF COC(=O)c1ccc([C@@]2(C(Br)Br)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587373328 IKHCHNDBLPHXGT-XMSQKQJNSA-N 570.230 5.750 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(NC(=O)OCc3ccccc3)cc2)N1 587673113 KLAZYLFAYMAUCC-LMKMVOKYSA-N 562.277 6.510 50 1 KKGF FC(F)(F)Oc1ccc([C@@]2(CBr)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)cc1 962963529 XMHKFGNXVQKWRR-HXUWFJFHSA-N 524.299 5.894 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@H]1[C@H]1C(C=O)=CC[C@H]2C(C)(C)CCC[C@@]21C 962996829 QSDATBPFEJFLMX-OTLKBGDTSA-N 578.149 7.034 50 1 KKGF Cc1ccc(N2C=C[C@@]3(C(C(=O)NN)=N2)c2cc(F)c(F)cc2C[C@H](C(=O)O)N3C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963035939 HTQHIYKGNGTBEV-PJTQZDKOSA-N 649.654 5.109 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)c4cc(O[P@](=O)(O)OCc5ccccc5)ccc4C[C@H](C(=O)O)N3C(=O)OCC3c4ccccc4-c4ccccc43)c2C)c1 963079392 KKDIWASBIBWOTM-RKHFOVIHSA-N 849.342 10.255 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2cc(C)ccc2OC(F)F)N1C(C)=O 963299945 BOEWDQGFTISUSS-PTVSMQAKSA-N 832.673 6.038 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)CCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1772573494 OLXOMRJBAMQPDC-NNDNHLMBSA-N 816.140 11.893 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@H](Br)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 1857546308 QPQPGYRSRSALDI-SVUGHSBASA-N 533.591 7.671 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCCC[C@H](O)CO)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@H]1O 2356321413 LYNJBWAXBDTPTG-VALIFNNHSA-N 880.142 6.900 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@@H]2C=CC[C@@H]3O 2356349759 NPPOSRYXHOGZBE-RIHOGKRFSA-N 990.387 7.033 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)[C@@H]2CCC(C)C 2356403327 GFKYDFOGJWKTRC-UXFRSZEXSA-N 839.222 9.148 50 1 KKGF C=C(COC(=O)[C@](C)(O)C[C@@H]1CC[C@H](O)[C@]2(C=C(C)C[C@H]([C@H](C)C=C[C@@H]3CC[C@]4(CC[C@@H]5O[C@H]([C@H](O)C[C@H](C)[C@@H]6O[C@]7(CCCCO7)CC[C@@H]6C)C(=C)[C@H](O)[C@H]5O4)O3)O2)O1)CC(=C)[C@H](CCO)OO 2356688777 LZSACGSEJDYUGC-LWWVJZKSSA-N 975.223 6.415 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)C2=CC(=C(N)N[CH]2)[C@H](Cc2ccccc2)SSC1 2356812367 GYRUTCDAPSYMBY-BSHLTOHISA-N 603.830 6.864 50 1 KKGF CCCCCCCCCCCC[C@H](Br)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F 44416867 FNTNRVIAANNPDQ-DEOSSOPVSA-N 595.533 6.361 50 1 KKGF Cc1c(N/C(Nc2ccccc2)=C(\C#N)C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c(=O)n(-c2ccccc2)n1C 49784094 NWMUWKIKKRUJQK-XPXRSFDGSA-N 594.631 5.158 50 1 KKGF C=C(c1ccc2ccc3ccccc3c2c1)C1CCC2(CC1)CO[C@H](Nc1ccccc1-c1ccccc1)OO2 64448149 GUCMZQPTBRRMSI-GAIKZXNOSA-N 527.664 8.976 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)c1nc(CCl)nc(O)c1[C@H]2c1ccc(Cl)cc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c1ccc(Cn2cc(/C=N/NC(=O)Nc3nc4ccc(CN5CCC(C)CC5)cc4s3)c3ccccc32)cc1 299855823 BQLTVKQTFPRQRY-DPNNOFEESA-N 550.732 6.995 50 1 KKGF O=C(N/N=C/c1cc(O)ccc1O)c1ccc2c3c(ccc2c1)N1Cc2c(ccc4cc(C(=O)N/N=C/c5cc(O)ccc5O)ccc24)N(C3)C1 299862582 JUXRUBHPFIIZSJ-QJCMXNLUSA-N 678.705 5.641 50 1 KKGF CC1=C(c2ccc3nc(/C(C#N)=C\c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)NNC(=O)C1 587054387 FOWDJCYCHXXREW-ODLFYWEKSA-N 517.420 6.097 50 1 KKGF CC(C)(C)c1nc2c(Br)nc(I)c(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2o1 587186656 NICGFUYHVOHURW-UHFFFAOYSA-N 702.079 8.851 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C#N)cc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190165 IYXRTTGFUZIQRA-YTDHDMEXSA-N 665.673 7.229 50 1 KKGF CN(C)CC[C@H](NC(=O)OC(C)(C)C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587194605 WEQNKRYBLWLTAI-LBPRGKRZSA-N 523.366 6.500 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccccc2N2C(=O)c3ccccc3C2=O)N1 587671949 BWFSFFCFMVPWHT-SXBQZSJRSA-N 558.245 5.562 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(CCl)cc(Br)cc12 587677772 IRMQHAOWQASFSA-FVINQWEUSA-N 515.604 5.343 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)C(C=O)=COc1c(Br)cc(Br)cc12 587677800 BGBMQXUQCRMLER-UGZDLDLSSA-N 546.028 5.366 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)N[C@@H](C)Cc4ccc(F)c(Br)c43)c[nH]c12 587687940 JBUOCRZLWCSKJP-BLHYWNLJSA-N 511.866 7.390 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1cccc([N+](=O)[O-])c1 587688683 NBFYVVBVNBZXIQ-ZAMGYDSWSA-N 506.803 5.921 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 587709527 AWALDTQHJQCWHQ-XYZCENFISA-N 515.570 6.433 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@]5(N[C@@H](C)Cc6ccc(F)c(Br)c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 587739469 HCNQSOQBOUTIIL-WCLJDUPSSA-N 719.780 9.141 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(O)n3C[C@H](c3cccc(Br)c3)N(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 587939637 JZCFHDRTZXGCOS-YBBCHLOUSA-N 591.543 5.846 50 1 KKGF Cn1nc(-c2ccc(OCCCC[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c2ccccc2c1=O 653843474 COYJILXOCWEPSD-UHFFFAOYSA-N 569.665 6.754 50 1 KKGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@@]12C=C1[C@@](C)(CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]13C)[C@]1(C)CC[C@@]3(C(=O)O)CCC(C)(C)C[C@H]3[C@@H]21 962046666 SNYLWRBLPMQEHD-ICVLIDATSA-N 843.078 7.309 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](CBr)(c2cc(F)c(F)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962577267 VYEMSHLKMLLVNU-JOMNFKBKSA-N 623.425 6.398 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CCCCCCCl)c3ccc(Br)cc3)c(O)c2C(=O)O1 962936703 PVHVSOROJOTRCJ-WWDMFJCGSA-N 689.430 7.494 50 1 KKGF N#Cc1ccc([C@@]2(CBr)c3cc(O[P@](=O)(O)OCc4ccccc4)ccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)s1 963071681 MDEXDSLQLYKKMZ-MMEOBGCCSA-N 785.609 8.215 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc1 963862751 GIWWKNUVEMWARZ-HDVYEJASSA-N 638.555 6.539 50 1 KKGF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)N/N=C(/C)CC(c2ccccc2)c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 1772652303 HLLDJANKOZVLOY-UWNYQIKHSA-N 597.672 5.603 50 1 KKGF O=CC1=Cc2cc3cc(C=C(c4ccccc4)c4cccc[n+]4C4CCC([n+]5ccccc5Cc5ccccc5)CC4)c(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3 1857537503 BYAWHSNFHCMQBV-UHFFFAOYSA-O 768.965 10.336 50 1 KKGF CC(C)[C@H](NC(=O)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H](CC1CCCCC1)N[C@H](c1ccc2ccccc2c1)C(F)(F)F)B(O)O 1857540025 OBWTUSNVTNXDDS-AUURQCAXSA-N 651.579 5.909 50 1 KKGF CCCCCCCCCCCCCCCCSSCCO[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)OCC 1857598495 NFMLLJXNIDLZOJ-DZUVLVPSSA-N 631.890 8.880 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)Sc2ccccc2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857742252 MJUUXZTUBAWWBX-TXBUCQCASA-N 581.819 6.870 50 1 KKGF Cc1c(Cl)c(=O)oc2cc(OCCn3cc(CCO[C@H]4O[C@@H]5O[C@@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)nn3)ccc12 1857745645 BAVJIDLCQIFXSA-LYVCNVKSSA-N 616.111 5.192 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5ccc5cccc(c65)[C@@H](SSCCC[C@@H]3O)[C@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356291713 BWSXWTIAMOWIFE-ZVXMTLJLSA-N 908.198 10.528 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C(=O)C[C@@H](CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)[C@@H]2CCC(C)C 2356349502 GUSRCACVHALBFZ-XKFGMTSSSA-N 789.162 8.602 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356354874 BOCIZHFEPIOJPU-PHYDUANHSA-N 777.100 5.966 50 1 KKGF CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[C@H]5O[C@H](CO[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H]5O[Si](C)(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C)C(C)C 2356416198 LCMFMYLKULZBHF-XEHABBNUSA-N 865.591 13.286 50 1 KKGF CCCCCCCCC[C@](C)(OC[Si](C)(C)C)[C@H](CC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 2356420227 SOTYPNYMOXVXKT-YZPZITCLSA-N 868.700 11.797 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@H](O)CC[C@]4(C)[C@@H]5CCC[C@@H]5NN[C@@]5(C[C@@](C)(C#CC[C@@]6(CCCC[C@@H]6CSSC[C@H](Cc6ccccc6)C1)C(=O)O5)[C@@]2(O)CCC1=CC(=O)OC1)[C@@H]34 2356659790 SCKUCGAPUDDBOI-ZZMHBQPQSA-N 861.224 7.675 50 1 KKGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@@]5(CSSCC[C@@]2(C)[C@]31CC4=O)NC(=N)NC[C@H]5Cc1ccccc1 2356673348 HVRDEZJPIPGAFR-WYJWAVBVSA-N 523.812 6.379 50 1 KKGF CCc1ccc2cc1N[C@H]1[C@H](CCC[C@H]1O)SSC[C@@H]1C[C@]3(CC[C@H]4C[C@@]5(C)[C@]6(O)[C@H](OC)CC(=O)[C@@H]6[C@H]4[C@@]35C)C[C@@H]1C2 2356806607 AHBXEPWPWZIBMR-IXBVYUFKSA-N 625.941 6.684 50 1 KKGF CCCCCc1cccc(C[C@H]2C[C@@H]3[C@H]4C(=CC[C@H]5CSSC[C@H]6CC[C@]7(CCCC78CCCC8)[C@@H]6C[C@@H](O)[C@@H](C2)N53)OC(=C2OC(=O)C(CO)=C2OC)[C@@H]4C)c1 2356829130 IVEVHBQQQNBKTD-KUJXKIBLSA-N 818.199 9.914 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@]1(C)CCSSCC2=C(N)N[C@H](Cn4cc5cc[nH]c5c4)C=C2[C@H]2C=C(C=C(N)N2)CC[C@@H]2O[C@@]24C(=O)O[C@H]1[C@@H]3[C@H]1CC[C@H]4[C@@H](O)C1 2356831564 JQMKQSPWHVKCKG-MLLSDXAFSA-N 867.063 5.197 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@]13CCC[C@@H]1C=CC1=CNCN13)c1cc2cnc1N 2356841101 NESUICDJBABAHX-LRNLGAIXSA-N 670.901 7.045 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSC3CCC(CC3)CC[C@@H](O)C1)CC2=O 2356849785 PXXQPLHWHIWAMX-GOTWVOIBSA-N 957.361 9.099 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSSCNC9=CC(=C3CN9)[C@@]1(C2)[C@H]4[C@@](O)([C@@H]6O)[C@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]7C8=O 2356865235 WJYRPPPWACXLQK-LNWMETSWSA-N 991.238 5.999 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccoc1)C(=O)CCl 42765367 ZMCKAHOCNZBGEK-PIZQGSRPSA-N 539.883 6.116 50 1 KKGF O=C1[C@H](Cl)[C@@H](c2ccc(OCc3cc(=O)oc4ccc5ccccc5c34)cc2)N1c1ccc(Br)cc1 49708385 XKJRJURWKRJAMT-VSGBNLITSA-N 560.831 6.983 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC[C@H]3CCC[C@@H](C3)Oc3cc(ccc3O)C2)C1 85597221 UHOJZYSLSNJZPY-GDLUBABWSA-N 681.873 7.163 50 1 KKGF biogenic,in-vitro CC1=C[C@@H]2C(=O)c3cccc4c3C(=O)[C@]2(CSS[C@@H]2Nc3nccc5c3-c3c2cccc3[C@H]2CCC[C@@]52C[C@@]2(O)[C@@H](O)[C@H](O4)O[C@H](CO)[C@H]2O)C(O)=C1 150344751 OEDNCWDGHRFWBI-SZTDGSLQSA-N 754.883 5.109 50 1 KKGF biogenic,in-vitro CCCCC[C@@H]1/C=C/C(=O)[C@@]2(Cc3ccc(O)c(OC)c3)CCC[C@H]2CSSC/N=C(/NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2O)C12CCCC2 150347353 BEERVUVFHSNLLS-LFQMUXBUSA-N 867.232 9.101 50 1 KKGF biogenic,in-vitro CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cc(I)c(=O)[nH]c2=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195497583 JEVRXFJEOXKKDH-KGSLCBSSSA-N 712.891 6.841 50 1 KKGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)O)c1=O 195769820 HSRHKBARXBESOI-IGGXFAESSA-N 659.058 6.103 50 1 KKGF OCc1c(O)c(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1 205886042 OLTYHGFKNHZYRN-UHFFFAOYSA-O 951.060 10.762 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@@H](C)N(C)C(=O)CC[C@H](C)SSC)[C@]1(C)O[C@@H]1[C@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299818624 YCOIJPSIDUQDNN-PBARHSRISA-N 812.448 5.694 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccccc1Cl)(c1cc([N+](=O)[O-])ccc1NC(=O)CBr)[C@@H](C2)C3=O 587411088 BMKIEVAXPNHPDV-BVZFJXPGSA-N 557.784 5.281 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(C(C)C)cc1 587543139 JGEHJSAGBQCTMP-FIBWVYCGSA-N 502.010 7.019 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587670691 MOVYLOBUFPQJOT-BOKWIEQBSA-N 637.340 6.047 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(F)(F)F)ccc2Cl)N1 587714100 URJVNCRKHSERJA-VVVCHXIZSA-N 515.570 6.433 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](CCl)(c2ccc3nc(O)[nH]c3c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962573386 RJTNQLXHRPXMNL-ZUKKLESISA-N 581.028 5.406 50 1 KKGF CCC(C)(C)[C@@]1(CCl)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962578150 XUBZKZURBMIRHK-FYBSXPHGSA-N 519.041 6.212 50 1 KKGF Nc1cc(S(F)(F)(F)(F)F)ccc1[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962698633 NIZZXGWSYAOYRI-RBBKRZOGSA-N 556.450 6.975 50 1 KKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2ccc(Br)cc2)([C@H](Br)CC(=O)O)N1 962949796 QVBPTVCHNJXBRP-YOMUGFJLSA-N 506.238 5.337 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(C)c1oc2ccccc2c1NC(=O)[C@H](C)Cl 962987166 LYDLOMVRELITND-PSTIOWGYSA-N 609.506 6.590 50 1 KKGF C=CCS/C(NC)=C(/C#N)[C@]1(c2nn(-c3ccccc3)c3c2CCc2ccccc2-3)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccccc1N 963133353 BHPGTIZEGUOXMU-WZOUKTEGSA-N 708.888 7.053 50 1 KKGF C[C@]1(c2cccc(N=C=O)c2)c2ccoc2C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963193443 KCFVUKBKPBZQGP-DHIFEGFHSA-N 520.541 5.771 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(c1ccc(C)s1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963728188 GNZFYZYCLPECHH-HHHXNRCGSA-N 509.027 5.305 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3cccc(C(=O)/C=C/c4ccc(O)cc4)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1772624715 WZZWPEJHQNCXFH-RDCVRMOHSA-N 550.648 5.892 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCOC(=O)/C(C#N)=C/c5ccc(C(F)(F)F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857554494 XLDLXAXMQPQPLP-JKUDIZFBSA-N 717.825 9.325 50 1 KKGF COc1cc2nc([S@](=O)CC(=O)Nc3cccc([N+](=O)[O-])c3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857573558 ZBQXWQQEXMYWBL-DHGMZIBLSA-N 627.466 5.311 50 1 KKGF CC1=C(CCCCOC(=O)CCC(=O)O[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)C(=O)C(C(C)C)=CC1=O 1857645087 KVJJRWUMFDSYTI-IKFQMRMSSA-N 602.721 5.282 50 1 KKGF CC(C)(C)[Si](OC[C@@]1(C)[C@H]2CC[C@@]3(CO3)[C@@H](/C=C/C3=CCOC3=O)[C@]2(C)CC[C@H]1O)(c1ccccc1)c1ccccc1 1857645990 YHOSPLDHRDSQQH-DXPHIZQXSA-N 586.845 5.565 50 1 KKGF CC[C@]1(SC#N)C[C@@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1 1857767859 MHDJOSFEQNSTHQ-HXCFSDMCSA-N 852.067 5.213 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(Cl)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cnc2ccccc21 1857767971 XYKQAIPWLDSLPV-UAKXVESRSA-N 555.118 7.898 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccc(I)cc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cnc2ccccc21 1857768607 AGDYPXOOXLBSKK-UAKXVESRSA-N 646.569 7.849 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)C[C@@H]3C=C[C@H]4Cc5c(NCC(C)=O)c(CO)cc1c5[C@H]3[C@@H]4CO)CC(=O)CC2 2356360479 GXKAYOGHRNCORJ-UJKUVAROSA-N 953.233 8.178 50 1 KKGF CC(=O)c1c(C)c(O)c2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@]56C[C@@]7(C[C@@H]8COC[C@](CCCO)(CSSCO4)[C@@H]85)C[C@]4(CCC[C@]45CCC4(CCCC4)C5)C[C@@H]7NN6)[C@@H](O)[C@H]3O)c2c1O 2356364208 QFEBKZMMCWPEKY-OGLJKGKYSA-N 997.283 6.878 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4C[C@@](C)([C@@]21O)[C@@]3(C)[C@@]12C[C@@H]3Cc5cccc(c5)N[C@H]5[C@H](CCC[C@H]5O)SSC[C@@H]3[C@H]1CC[C@H]4C2 2356447413 RHYBHVMADOEPMX-PIZSHYPZSA-N 623.925 6.851 50 1 KKGF COC[C@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(C=CC[C@@H]2O[C@]3(C[C@H](O)[C@@H]2C)O[C@H]([C@H](C)C[C@H](C)[C@H](C)[C@H](C)[C@@H](C)C=C(C)C(C)=CC=CC(C)=CC#N)[C@@H](OP(=O)(O)O)C3(C)C)co1)N(C)C 2356695347 DDLAOQXXRIYRDI-JHSHSSRNSA-N 989.242 7.860 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4C[C@H]5CC[C@@H]6CCC[C@@]6(C4)C5)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@@H]21 2356713563 MIYUFHDXGRVYCA-FEMWKEBVSA-N 924.328 6.381 50 1 KKGF CCCC[C@H]1[C@@H](c2cc[nH]c2)CSSC[C@H](c2cc(O)c(Oc3cccc(O)c3)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356765034 JTXNNPCWHJTCPI-WUIMFCPGSA-N 613.798 7.577 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)CCC=C(C)CCCC(C)C 2356767875 IAQZLKZEXSJXOE-GXOUFAGJSA-N 623.919 6.388 50 1 KKGF CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)C[C@H](OOC[C@](O)(Cc1ccc(O)c4ccc(O)cc14)[C@H](O)[C@H](O)[C@@H](O)CO)[C@@]1(CC=C[C@@H](C1)[C@H]1CNC(=O)[C@@]14CCC[C@@H](CCC3)C4)O2 2356818054 DQBZCIYDZJSPNJ-HMHAFTJLSA-N 974.117 5.765 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC5=C(CN4)[C@@H]4C[C@H]6CC7(CCCC7)C[C@@]56[C@H]5[C@H](C4)C[C@@]4(CO)O[C@@H](O3)[C@H](O)[C@@]5(O)[C@@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@@H]12 2356827112 HNJIGVNBHAFTHQ-XUTJSXJMSA-N 909.136 5.404 50 1 KKGF COc1cccc2c1c(C(=O)Nc1ccccc1)c(SSc1c(C(=O)Nc3ccccc3)c3c(OC)cccc3n1C)n2C 14944318 MCAHNIWHTWDORH-UHFFFAOYSA-N 622.772 7.991 50 1 KKGF O=C(SC[C@H](CN1C=CC=CC=C1)SS[C@@H](CSC(=O)N1CCOCC1)CN1C=CC=CC=C1)N1CCOCC1 28872754 YRAPNCRVVUHDEJ-WMPKNSHKSA-N 622.904 5.274 50 1 KKGF O=[N+]([O-])c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccc([N+](=O)[O-])cc2)cc1 29400520 JDYDJEZLNYBZCR-UHFFFAOYSA-N 620.886 6.064 50 1 KKGF COc1cc(N2C(N)=C(C#N)[C@@H](c3c(O)ccc4ccccc34)C3=C2CC(C)(C)CC3=O)cc(OC)c1OC 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CC(=O)OCC(=O)[C@]1(OC(=O)c2ccsc2)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](Cl)C[C@@]21C 253695886 ZUXDAZANGKORIH-YDBHIWFRSA-N 579.542 5.909 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(Cc3sc(-c4ccc(Cl)cc4)nc3-c3ccccc3)nc2c1 587012969 WRATTXLAKDQYMD-UHFFFAOYSA-N 606.867 10.018 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(Br)cnc(Br)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191691 VIOOHNLAWGXMOI-BBURBPSPSA-N 720.547 7.515 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)cc2)cc1 587322158 LMJYNVLUXITKOV-PQHLKRTFSA-N 624.300 7.425 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(OC(F)(F)F)c2F)[C@@H]1c1ccc(F)cc1 587333394 VONFWWHHRAAISU-DENIHFKCSA-N 529.255 6.218 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CCl)c1cn(-c2cccc(C(F)(F)F)c2)nn1 587547004 KPZDOGNJVFXEQC-OFNKIYASSA-N 501.848 5.088 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(F)cc1Br 587571179 ZKVUKVVGHOENHO-NQIIRXRSSA-N 508.137 5.546 50 1 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C[C@H](O)NC(=N)NC[C@H]1[C@@H]2CC[C@@H]3[C@H]4[C@@H]5C[C@H](CSSC[C@H](n6ccnc6)CC(C)(C)C6=C7CCCC[C@@H]7C7=C([C@@H]3CCC7)[C@H]6[C@@H]4O)[C@@](O)(C3=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@@H]31)[C@@]25C 2356352052 LLPUMDGQIHCOJF-NQKMXOILSA-N 930.335 7.185 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C3=C(C=O)CCC[C@@H]3C[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356353929 DSKZILNPXIEHDU-FLKGTGMKSA-N 775.084 5.658 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@@H]6COC[C@](CCCO)(CSSCO4)[C@H]56)[C@@H](O)[C@@H]3O)c2c(O)c1C(=O)CCc1ccccc1 2356373709 GRVGNXKMQZRDBN-LGOXDISVSA-N 827.027 5.895 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1C[C@@H]2CSSCCC(C(=O)Cc3cccc4c3CC(=O)N[C@@H]4N)=C3CC[C@](C)(O)[C@@]2([C@@H]3CCCO)[C@@H]1O)CCC=C(C)C 2356450452 VTILEHRSMCABTA-LCHXXDODSA-N 751.068 6.204 50 1 KKGF N[C@@H]1NC[C@@]23C=C[C@H]4c5c(ccc1c52)[C@H](O)C#C[C@H]1[C@@H](Oc2c(cc(O)c(CCC(=O)C[C@H](O)[C@@H]5C=C6C=C[C@@H]7CCCC[C@@H]7[C@H]6C[C@@H]5O)c2CSSC3)OC#CC12CCCC2)n1cc2[nH]cc4c2c1 2356476244 FLFCQVQDVAJEAY-MQJHDWRXSA-N 977.262 8.780 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CC3(CCCCC3)[C@@H]3CSSC[C@@H]4CCC[C@@H]4C[C@H](O)[C@@H]4CCC[C@H]([C@@H]2[C@H]1C)N43 2356630885 IFTLASPLOLUKEF-IJMYMWLPSA-N 601.875 6.960 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)CCC[C@@H](Cc3cccc(O)c3)C1)CC[C@@H](O)CC(=O)CC2 2356700858 IURSOCVSJHFFQH-CQBGBPQVSA-N 937.238 6.792 50 1 KKGF CN[C@@H](O[C@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(O)c1 2356779172 NEEHQXFBTHMKGK-WJVKJDHCSA-N 633.832 7.893 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](OCCO)CCCC[C@](CCO)(CCc4ccccc4)C#C[C@@H]3C=C12 2356843726 NOROEOPXIXWYPQ-HUKDRNQCSA-N 968.336 7.327 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CC[C@@H]3CSSC[C@@H]4CC[C@]5(CCCC56CCCC6)[C@@H]4C[C@H](O)[C@@H]4C[C@H](Cc5ccccc5)C[C@H]([C@@H]2[C@H]1C)N43 2356860247 UDDKJHIRDUXIBO-OQPZERIDSA-N 748.064 8.181 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NCC[C@](Cn4ccnc4)(SSC1)C3=C2 2356864589 VWXDLQDQGBJMML-REDPOVAJSA-N 594.803 5.055 50 1 KKGF NC1=C2CSSC[C@H](CO)[C@H](O)[C@H](Oc3cc4c(cc3O)CCC3=C[C@@H]5C#C[C@@]6(CCO)CCC[C@@H](CC6)[C@H](O)[C@@H]5[C@H](O)C[C@H]34)C[C@H](Cc3ccc[nH]3)C2=CCN1 2356866899 VOZOYDGJSXFISY-XHAKIPQKSA-N 818.115 5.061 50 1 KKGF CC1(C)CC[C@]2(C(=O)n3cccn3)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@H]2C1 38145588 YYXHRJLIOGMXCT-GIPLDNSPSA-N 541.736 6.743 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@@H](CC[C@@H]3CC4(CC[C@]23C)OOC2(CCC(C)CC2)OO4)[C@@H]2CC[C@H]([C@H](C)CCC(N)=O)[C@@]12C 43587485 WUJPYDUEMWIGOR-BSRITLQKSA-N 575.787 6.601 50 1 KKGF CCCCCCC[C@H](OC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC=O)c1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O 49832986 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566.217 5.960 50 1 KKGF COc1cc2c3c(c1)O[C@@H](c1ccccc1P(c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587448601 KGOILAPMEKUXLG-KMAYNHJMSA-N 734.958 10.149 50 1 KKGF O=C1c2ccccc2[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2cc(CBr)ccc21 587538078 MZOBWPFMCQMTIK-CUBQBAPOSA-N 513.343 5.737 50 1 KKGF Cc1cc(-n2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)ccc1Br 587676011 DONDWXLJRYUJIT-LFPIHBKWSA-N 554.729 7.083 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccc(Br)c2)([C@@H](Cl)C(=O)c2cccc(Br)c2)N1 587684726 ZYJZGYGWVBLJJM-AMIRBURQSA-N 630.577 7.381 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc(C(C)C)cc1 587687689 HFOKMENDYVECKK-YHAMSUFESA-N 503.887 7.136 50 1 KKGF CC1=C([C@]2(CCl)c3cccc(F)c3CCN2[C@@H]2CCSC2)[C@@]2(C)C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]2C1 962702188 HMASSUOUHPYQQY-GABNAXOYSA-N 600.215 6.921 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cc3cc(Cl)ccc3o2)N1 963172828 OBNAEDXQWWAOML-OCZFFWILSA-N 693.041 8.005 50 1 KKGF Cc1onc(-c2ccc(F)cc2)c1[C@@]1(CBr)c2c(cc([N+](=O)[O-])c(O)c2[N+](=O)[O-])C[C@@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963241500 UYCJDWYSYQDJOD-GOOPYHEFSA-N 773.524 7.210 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCCCCCl)(c2ccc(F)c(C)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381293 UGKPOZLGYSNYFN-ZGAWMTGXSA-N 642.167 8.231 50 1 KKGF COc1nc(O)c([C@]2([C@@H](C)C[C@H](C)[C@@H](Cl)CCl)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(O)c1OC 963863433 WIQRUESADDZDBK-IEEFTKQUSA-N 641.589 6.207 50 1 KKGF COc1cc(NC(=O)CCBr)c2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 1772574179 MZDSYQCZTHSKGB-ACHIHNKUSA-N 772.737 7.886 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@@H](OC(=O)C[C@H]2O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]2C)[C@]64OO5)C[C@H]1C[C@H]3OC(C)=O 1772590879 YGKZJSSEQLOYRM-QDYQBWRLSA-N 815.054 7.870 50 1 KKGF COC(=O)[C@H](Cc1ccc(N(CCCl)CCCl)cc1)NC(=O)CCC(=O)OCCn1c2c(c3ccccc31)CCN1C(=O)c3ccccc3N(C)[C@@H]21 1772592780 RRLQAYDXEMUYNJ-DWEWYUIOSA-N 748.708 5.296 50 1 KKGF O=C(CCl)N(/N=N/c1ccc(C(F)(F)F)cc1C(F)(F)F)c1ccc(C(F)(F)F)cc1C(F)(F)F 1772623493 BXULNIVZTIOAQW-ULIFNZDWSA-N 545.711 8.033 50 1 KKGF Cc1ccccc1NC(=S)NNC(=O)c1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1 1911586154 WSCDEDDWJHTOLB-UHFFFAOYSA-N 529.669 6.769 50 1 KKGF CCc1ccc2cccc3c2c1Cc1c(ccc(O)c1OC)C[C@H](Cc1cc[nH]c1)[C@H](O)[C@@H]1C(=O)[C@](Cc2ccc(O)c(OC4CCCC4)c2)(c2cc(O)cc(CNC)c2)[C@H](O)C[C@H]1CSSC3 2356291690 BBOSEXNOMQBJHY-CDOVVTPESA-N 957.268 9.891 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CC[C@H]6c7c(ccc(c72)[C@H](N)NC5)[C@H](O)C#C[C@@H]([C@@H](O4)n2cc4[nH]cc6c4c2)C2(C#CO3)CCCC2)[C@H](O)C1 2356356484 KPEGYQDLCQLNGO-OTZNQSIGSA-N 887.137 7.278 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCC[C@H](O)C2)C[C@H]([C@](C)(O)[C@@H]2CCN(CCCOC)[C@@H](CC)C2)O3)O1 2356363437 JVDINYXAHPHUIU-DHXOBHDNSA-N 885.064 5.841 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](O)[C@H](C)CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H]1O 2356409603 NCSNQRGCQJNJTK-IRKJLVCPSA-N 722.618 10.798 50 1 KKGF COc1cc2c(cc1OC(=O)OC(C)(C)C)CCN[C@@]21CS[C@H]2c3c(OC(=O)CCCl)c(C)c4c(c3[C@@H](COC1=O)N1[C@H]2[C@@H]2c3c(cc(C)c(OC)c3O)C[C@H]([C@@H]1C#N)N2C)OCO4 2356590349 LDSCRYJYWATDQQ-ZTYKZGOGSA-N 919.450 6.204 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356620221 KIBJUROKXFXBRB-VFJKRTNGSA-N 883.224 6.843 50 1 KKGF C[C@@H]1CC[C@H]2CC3=C4CCC[C@@]5(CSSCC[C@@]2(C)[C@]31CC4=O)NC(=N)NC[C@@H]5Cc1ccccc1 2356673345 HVRDEZJPIPGAFR-HADVLLHNSA-N 523.812 6.379 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@H]1c1cc[nH]c1 2356823900 GPXLPHNTFSFTLV-PXXXUZDGSA-N 828.962 5.810 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356832065 JTFFRDHHODAKIN-RPSJONSKSA-N 803.060 5.407 50 1 KKGF COc1cccc(COc2cc(C(=O)NN(C)C)cc(N3C[C@H](c4ccc(OC)c(OC5CCCC5)c4)CC3=O)c2)c1 3916089 VNKRGOHAYGVCDA-RUZDIDTESA-N 573.690 5.331 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCNCCCCNc3ccnc4cc(Cl)ccc34)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 44306169 DQFVXBYHBIOAKS-YAQLLRKCSA-N 544.136 6.311 50 1 KKGF CCCCCCCC/C=C\CCCCCCCC(=O)N/N=C(\CO)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1c(OC)cccc1C3=O 95540136 RDLCPKMELIJHIM-WRJWFLQVSA-N 822.009 5.942 50 1 KKGF Cn1nc(C(=O)N2C[C@@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)cc1NC(=O)Nc1cc(C(=O)N2C[C@@H](CCl)c3c2cc([N+](=O)[O-])c2ccccc32)nn1C 95551365 QNMREJCPAUCHMX-WOJBJXKFSA-N 797.616 6.886 50 1 KKGF C=C(C)[C@H]1C(=O)c2c3c(cc4c5c(n1c24)[C@@]1(C)[C@H](CC[C@H]2[C@](C)(/C=C/C=C(\C#N)c4nc6ccccc6[nH]4)[C@@H](O)CC[C@@]21C)C5)C1=CC(C)(C)OC(C)(C)[C@@H]1[C@@H]3O 95616205 PUEWNJHMRLQANI-IUQCGIMCSA-N 762.995 9.636 50 1 KKGF CC(=O)OC[C@H]1c2ccc3c4c2O[C@@H]1c1c2c(c(O)c(CNCCCO)c1CC#Cc1nc(N)ccc1C[C@H]1CC[C@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@@H]1CSSC[C@@H]3CCC[C@@H](C3)N[C@H]1C=C2 150343161 LFWGYIQEJPMDFM-AUAYOXIQSA-N 987.254 7.754 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(O)cc3c(c12)[C@H](CCl)CN3C(=O)/C=C/c1ccc(/C=C/C(=O)N2C[C@@H](CCl)c3c2cc(O)c2[nH]c(C(F)(F)F)c(C(=O)OC)c32)c2cc3ccccc3cc12 150545542 HKBSKVACFOIFOE-FAZKHRBVSA-N 979.714 10.742 50 1 KKGF C/C1=C(/CCOC(=O)[C@@H](N)CCCCN)SS/C(CCOC(=O)[C@@H](N)CCCCN)=C(\C)N(C=O)CCCCCCCCCCCCN1C=O 169335470 LNMVPMCZSCWVBB-YWWLNIDUSA-N 743.094 5.441 50 1 KKGF COc1cc(/C=C\c2ccc(OC)c(O[Si](C)(C)C(C)(C)C)c2O[Si](C)(C)C(C)(C)C)cc(O[Si](C)(C)C(C)(C)C)c1OC 195277775 UWEJGCKIVCJEJG-VXPUYCOJSA-N 661.117 11.035 50 1 KKGF O=C1c2ccccc2[C@@H](c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1C1CCCC1 587053547 DATDWUNUNCRURT-JWQCQUIFSA-N 602.456 9.799 50 1 KKGF CCc1ccc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2c1 587191787 XNUFJNSBQFAZHO-RNUAOJHQSA-N 589.821 7.157 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1ccc(Cl)c(C(F)(F)F)c1 587551241 YYCJAZCVBOCKHE-RPLLCQBOSA-N 562.371 7.568 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@]1(CCl)N[C@H](C)Cc2ccc(F)c(Br)c21 587683293 GHOVUSSFHRXEMJ-ZYQMOKFNSA-N 716.092 5.741 50 1 KKGF CN(C)c1ccc([C@]2(C(Br)Br)NCCc3cc(-c4ccccc4)ccc32)cc1 962662021 BRAIKJJLRAJIIR-DEOSSOPVSA-N 500.278 5.925 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](C)([C@@H](C)Cl)N1 963160398 JFAUVMCLSVJNTN-FZIXDTKSSA-N 526.080 5.809 50 1 KKGF Cc1cc([C@@]2(CCl)c3cccnc3CCN2C(=O)c2cc(C(=O)c3cccc(C(F)(F)F)c3)c[nH]2)c(C)n1-c1ccccc1F 963581709 OGKZTAQURCJDBP-MGBGTMOVSA-N 635.061 7.387 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccccc4Br)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccccc4Br)cc23)cc1 1857545839 BMQPJEJYTZAMHH-UHFFFAOYSA-N 890.636 6.909 50 1 KKGF C[C@](O)(COc1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1 1857566385 ITFVUMMIDFJIOY-INIZCTEOSA-N 523.414 7.770 50 1 KKGF CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCCN=C=S)cc3)nc2n1C1CCCC1 1857588198 CCJCFIVCPGFLCE-UHFFFAOYSA-N 533.702 5.984 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@@H]([C@@](C)(O)C1CCCCC1)C3 2356351606 BAMXPVSHVPQRTI-HYWHREFCSA-N 713.824 5.755 50 1 KKGF CCCCCC[C@@H]1[C@H](CO)C[C@H]2CC3=C4CCC[C@@H](NC(=N)N)CSSCC[C@@]2(C)[C@]31CC4=O 2356429151 LYICIZMRFSTGRK-NAPMGHOBSA-N 507.810 5.674 50 1 KKGF CC=C(CCO)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356589201 SQSSRBSSTYATII-ZXKHFXPOSA-N 703.883 5.193 50 1 KKGF CCO[C@H](CC)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC 2356726398 ZSXOESDFZFOLOC-KMWSEPHOSA-N 671.001 7.609 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2CCC(=O)[C@H](c3ccc4[nH]ccc4c3)C2)c2c(OCCCO)c3c(c(CO)c2O1)O[C@H]([C@]1(O)CC=C[C@@H]2CN(CCCOC)CC[C@@H]21)C3 2356729126 IIBKQYYSPWRWKF-MKVLIUKRSA-N 810.941 5.089 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)CCC=C(C)CCCC(C)C 2356772981 NNKZUSAFPLLGKI-NCCXDUJKSA-N 599.897 6.366 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356776806 WUKDMOUXHCBPFY-SCXNXZJZSA-N 777.100 6.312 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSCCCCCC[C@H](O)C1)CC2=O 2356825879 HUSJSDHMAJXKSB-ORBKSGFDSA-N 773.079 5.574 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3CCN3C(=O)CC3=C(C=C(N)NC3)[C@H]2[C@]12Cc1cc3ccc(=O)oc3cc1O2 2356868701 XEUVHGQQAXCQSX-PWTVDBLPSA-N 715.938 6.470 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccccc2Cl)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 40663183 XWKVZVJGLZEYER-HFVLIPCGSA-N 508.949 6.308 50 1 KKGF C=C1CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(O)cc(O)cc1C2=O 83924193 XBOGIWAZQGMLND-RPXJGHMWSA-N 515.861 5.989 50 1 KKGF in-vitro CC(=O)Oc1c(C)nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c2c1COC(C)(C)OC2 96908085 VBEZRJFJXQCHKR-UHFFFAOYSA-N 526.593 5.592 50 1 KKGF Cc1ccc2c(c1)C(=O)N(CCO/C(=N\c1ccc(Br)cc1)SS/C(=N/c1ccc(Br)cc1)OCCN1C(=O)c3ccc(C)cc3C1=O)C2=O 150608717 PRKRCNYFCSOGKT-MBIPSJRMSA-N 836.584 8.511 50 1 KKGF C=C(C=O)CC(=C)COC(=O)[C@](C)(O)C[C@@H]1CC[C@@H](O)[C@]2(C=C(C)C[C@@H]([C@H](C)/C=C/[C@H]3CC[C@@]4(CC[C@H]5O[C@H]([C@@H](O)C[C@H](C)[C@H]6O[C@@]7(CCCCO7)CC[C@H]6C)C(=C)[C@@H](O)[C@@H]5O4)O3)O2)O1 255220447 IXHIMLDLLGVXHB-NRVUBORGSA-N 913.155 6.374 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(COC(=O)c3ccncc3)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 299806441 QPNLRZTXRIDAFS-DWXHRYEESA-N 711.893 7.136 50 1 KKGF CCCCC[C@H](Br)C1=CC(=C(Br)Br)N(Cc2ccccc2)C1=O 473153898 CTKIBPZMSHJREY-HNNXBMFYSA-N 506.076 6.258 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)n3Cc3ccco3)nc2c1 586965652 NOZFNDOTRDMOBO-UHFFFAOYSA-N 626.858 8.828 50 1 KKGF Cc1cc([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c(C)n1-c1ccc2c(c1)OCO2 587325659 GKRRIUHBYLUPBT-YTMVLYRLSA-N 519.956 6.161 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2cccc(C(F)(F)F)c2F)[C@H]1c1ccc(F)cc1 587327782 HLYMKXUWUNJJHY-SIKLNZKXSA-N 513.256 6.339 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587496973 HAGBPOIAXJQZJD-HOLBHBGLSA-N 520.412 6.238 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1P(c1ccccc1)c1ccccc1 587607719 NLJTVPFDMHXILU-QLWXXVCSSA-N 502.506 5.853 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](COC(=O)Cc2ccc(CBr)cc2)(c2ccccc2)N1 587673200 LGWZOYBZXSPYTI-WGDIFIGCSA-N 561.289 6.047 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(OCc3ccccc3)c2)N1 587674335 WFEPJEDQEIOHRA-FYSMJZIKSA-N 519.252 6.340 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C(=O)c1c(NC(=O)[C@@H](C)Cl)cccc12 587687730 HLSIYMDMHRAIFN-UPINHGDLSA-N 527.821 5.525 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(F)ccc2Br)N1 587725814 GJLJPTRUBZXZPN-XLFHBGCDSA-N 510.014 5.663 50 1 KKGF CC1(C)[C@@H](OC(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C 587948932 WCTVXBOCVGANEG-XHARGLHYSA-N 847.826 11.893 50 1 KKGF CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587960011 NLWXNWWBBBATPE-UUQHCRCUSA-N 528.675 11.075 50 1 KKGF CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587964680 GCWGCFLEISEQNC-LSIJGYGBSA-N 518.636 9.157 50 1 KKGF O=C(c1ccc(Br)cc1)[C@H](Br)[C@]1(c2ccc(Br)cc2)NCCc2cccc(-c3ccccc3)c21 962669856 PHOGIUHRQXBMJE-URLMMPGGSA-N 640.213 7.914 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCCCCl)(c1cccc([N+](=O)[O-])c1)N(C(=O)c1ccccc1N)CC2 963142406 PMTBVDPHMUALJH-SSEXGKCCSA-N 552.071 6.326 50 1 KKGF O=C(O)[C@@H]1Cc2c(cnc3ccccc23)[C@](CBr)(c2c(Br)ccc(Cl)c2F)N1 963226113 KIGIKEYZGIJUPD-OXJNMPFZSA-N 528.603 5.027 50 1 KKGF COc1cc(NC(=O)CCCCl)c2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 1772597619 WPEVVDKTGSAJNI-LQJZCPKCSA-N 742.313 8.120 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCOC(=O)/C=C(\C#N)c5ccc(C(F)(F)F)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857540902 BXRZUZVNFUNSHM-JKUDIZFBSA-N 717.825 9.325 50 1 KKGF CCc1ccc2ccccc2c1Cc1c(C[C@H](Cc2cc[nH]c2)[C@H](O)CC(=O)[C@H](Cc2ccc(OCO)c3c2CSSC[C@@](C)(O)CNCO3)c2cc(O)cc(CNC)c2)ccc(O)c1OC 2356292513 RJXYCWPVZBQKJO-JAMGHGIESA-N 950.233 8.109 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3cc(C4(CCO)CCCCC4)c(=O)oc3cc1O2 2356293779 KEXABOOLVFICPY-WWLUQWOOSA-N 772.002 6.779 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)[C@H](O)SSCNc2cc(ccn2)C1 2356316040 YFRPANFFQCYOOR-CSSKRLGRSA-N 592.783 6.444 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@@H]4O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@H]3C[C@H]2O1 2356396534 NQICGQXVXIAURW-ZBWFRKKNSA-N 853.059 5.561 50 1 KKGF C=C1C[C@]2(CC[C@H](CC[C@]3(O)CCC[C@H](O)C3)C2)[C@@H]2O[C@]2(C)CC[C@@H]2[C@@H]1C[C@]2(C)[C@@H]1C[C@H]([C@@H]2CSSCc3ccccc3CC[C@H](c3cccc4cocc34)CNC(=N)N2)C[C@H]1Cc1ccc(O)cc1 2356551041 YIQCQQIPQHJEIU-SZNDDBINSA-N 986.442 12.890 50 1 KKGF CC1(C)O[C@H](C=O)[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H](C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)OS(C)(=O)=O)O1 2356770465 SONGBZAQUHTSIC-LHTRERHQSA-N 807.094 7.642 50 1 KKGF COC(=O)c1ccc2c(c1)C[C@H]([C@]1(O)CC[C@H]3[C@](C)(CC=C(C)C)[C@@H](Br)CC[C@]3(C)C1)O2 2356799287 UGLJQQPCFVYFSM-WDAIVFJWSA-N 505.493 6.234 50 1 KKGF CNC[C@@H]1CC[C@@]23O[C@@H]2CCC2=C[C@@H](NC(N)=C2)C2=C[C@H](Cn4cc5cc[nH]c5c4)NC(N)=C2CSSCC[C@]2(C)Oc4cc5oc(C)cc(=O)c5c(O)c4[C@@H](C1)[C@H]2OC3=O 2356836412 LAMQAOIHQNKEBM-SZUKCYBXSA-N 868.095 5.426 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H](C=O)[C@H](NC)[C@@H]4CN(C(=O)CC5=C(C=C(N)NC5)[C@@H]2[C@]12Cc1cc5cc(C6([C@H](CO)CCCO)CCCC6)c(=O)oc5cc1O2)[C@@H]43 2356866581 WFXODNSJDFEBJV-UNWMQSNDSA-N 915.188 5.361 50 1 KKGF CC(C)NC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO[Si](C)(C)C(C)(C)C)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1)O2 200345717 QKYWKUKAQPNVQF-SGQNLQFHSA-N 681.372 6.440 50 3 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc([N+](=O)[O-])ccc3n2C)c(C(=O)Nc2ccccc2)c2cc([N+](=O)[O-])ccc21 26167281 MGEHDKGYSLPVOE-UHFFFAOYSA-N 652.714 7.790 50 1 KKGF COC(=O)c1[nH]c2c(O)cc3c(c2c1C(=O)OC)[C@@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4ccccc4o3)ccc2[nH]1 27868372 HHXZPFISRQPVMM-KRWDZBQOSA-N 641.036 5.909 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)NCCCCN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49780636 ZOHIEKGLNMWRSW-LQYHIAJLSA-N 653.858 5.675 50 1 KKGF C=C(c1ccc(Oc2cccc3c(Oc4ccc(C(=C)[C@H]5COC6(CCCCC6)OO5)cc4)cccc23)cc1)[C@H]1COC2(CCCCC2)OO1 49841081 IHMPLZKVXWPVQC-XRSDMRJBSA-N 676.806 10.466 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)/C=C/c2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@@](Cc2ccccc2)(CCN3)SSC1 85596452 UYWAPJPQHJEKLH-OEJQVBKCSA-N 602.822 7.383 50 1 KKGF biogenic,in-vitro CCCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@@]21C 118933963 JECQBHPHBSTJDJ-DEUAAYBFSA-N 591.528 6.220 50 1 KKGF C[C@H](O)CCC[C@@H]1CC[C@@]23CC[C@@]1(/C=C/C(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@H]1CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc41)CSSC2)C3 150349158 XBMAJTLKMCCAKK-PWHJTKETSA-N 873.174 9.132 50 1 KKGF biogenic,in-vitro C[C@]1(C(=O)OC(=O)[C@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@H]32)CCC[C@@]2(C)c3cc(O)ccc3CC[C@@H]12 169296926 CXSWMXMKWWOTPK-DABFNDPJSA-N 530.705 6.888 50 1 KKGF C[C@@H](CCC(=O)N[C@@H](CCCCNc1ccc([N+](=O)[O-])c2nonc12)COO)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](O)C[C@H]1C[C@H]3O 169362035 QLUQJGVHFRKZQO-PMYVKPNESA-N 685.863 6.095 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@@]32OO4 169615510 CRSJHIRCVZDTHB-AFBUYNFOSA-N 832.066 7.556 50 1 KKGF CC(=O)OC[C@@]12CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@H]5CC[C@]43C)C1=C(C(C)C)C(=O)C2 253918594 WLFYCMTVIXROHE-JHBWKXRJSA-N 575.230 7.681 50 1 KKGF CC1=C[C@@H]2[C@@H](O)[C@H](C)CC[C@H]2[C@@H]2C(=O)OC(=O)C(C)=C3C[C@H](O)[C@@H](C)C3=C2[C@@H]1/C=C/C=C/C=C(\C)C[C@H](C)C[C@H](O)[C@@H](C)C(=O)O 255262891 RPAJEXJBXAMICD-SRDRVZQYSA-N 636.826 5.856 50 1 KKGF COC(=O)N[C@@H]1[C@H](C)O[C@@H](O[C@H]2C/C=C(\C)[C@@H]3C=C[C@@H]4[C@@H](O)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)/C(O)=C3\C(=O)O[C@]4(CC(C=O)=C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]4/C=C\2C)C3=O)C[C@@]1(C)[N+](=O)[O-] 299826432 ZZMUBGNZEPPZHL-AWEWDGGDSA-N 897.148 7.237 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(C#N)c(C#N)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189414 BUYLHPCEDIECEV-HLFPDITBSA-N 611.787 6.338 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(=O)Nc4ccc(CCN5CCN(C)CC5)cc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189980 IEKKUQITOWNFAU-ZIBJVPEYSA-N 807.093 7.637 50 1 KKGF CCCCCCCC/C=C/CCCCCCCCCCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587958356 FLFSTTSUROVIEB-MDZDMXLPSA-N 615.635 12.733 50 1 KKGF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]1(CCl)c1cc2cc(O)[nH]c2cc1Cl 961752987 WWXAPWBZAVDASE-SANMLTNESA-N 502.442 6.161 50 1 KKGF Cc1nc(C)c([C@]2(CBr)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)o1 962400790 HAXCZVVMTOPQBQ-RNAHPLFWSA-N 588.458 5.585 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@@](CBr)(C2CCOCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962479399 YJLSKSFNMADKQL-POURPWNDSA-N 577.475 5.359 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@@]32c3cccc(F)c3CCN2[C@@H]2CCSC2)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 962696383 DVQOTMWLRRIRMU-XITDATAUSA-N 709.921 5.668 50 1 KKGF CCOC(=O)[C@@]12Cc3cc(F)cc(c3C1)[C@@]1(C(=NNC(=O)COc3ccccc3Cl)C(=O)c3ccccc31)N2C(=O)OC(C)(C)C 962706532 JKJFVJHUXZETOW-NOCHOARKSA-N 648.087 5.121 50 1 KKGF Cc1cc(C)c([C@@]2(C)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1CCl 963098498 QNYXOBIHAMBZMG-YFXFWNCGSA-N 600.202 8.918 50 1 KKGF Cc1csc(-n2c(C)cc([C@]3(CCl)N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)c2C)n1 963184222 QVELKSHDMBMTAC-KKSFZXQISA-N 518.388 5.613 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963548069 DJJLJZOENJJQLN-PIZIKKFZSA-N 733.341 8.951 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1[C@H]1C(C#N)=C(N)N(Nc2ccc(F)cc2)C2=C1C(=O)CC(C)(C)C2 1911578578 OUJZFIUHWFYSQV-SSEXGKCCSA-N 592.650 7.015 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSCCCCCC[C@@H](O)C1)CC2=O 2356291944 HUEMZWCZVCMVSA-XEDJKCRQSA-N 771.063 5.905 50 1 KKGF CCCCC[C@H](O)[C@@H]1C[C@@H]2CN(CCCOC)CC[C@@H]2[C@](O)([C@@H]2Cc3c(c(CO)c4c5c3OC[C@H](CO)CCc3cc6[nH]ccc6cc3[C@H]3CC(=C5C(C=O)=C(C(=O)OCC)O4)C[C@H](CO)C3=O)O2)C1 2356350135 VNIDVRYUYQZTAQ-LTPMFRSNSA-N 969.182 5.871 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(C)O)[C@H](O)CCCCC)CCC=C(C)C 2356359369 JKCXASONVGQKQO-UPOUSSFDSA-N 580.850 6.941 50 1 KKGF CCCOc1c2c(c(CO)c3c1C(=C1CCC(=O)[C@H](c4ccc5[nH]ccc5c4)C1)C(C=O)=C(C(=O)OCC)O3)O[C@@H](C(C)(C)O)C2 2356367978 HQUJXVBFAXHZBC-RBISFHTESA-N 629.706 5.222 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356370846 UWGZOHRAFVCVDF-BPGYJALNSA-N 831.148 5.349 50 1 KKGF C[C@H]1CO[C@@]2(O[C@@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)C[C@H](O)[C@]6(C)[C@H]5CC[C@]4(C)[C@@H]3[C@H]2C)[C@H](C(Cl)Cl)C1 2356486950 JXWFIBCMYNNVHU-CKFHDXOJSA-N 513.546 5.715 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@H]2O)cc(OCO)c1O 2356510138 OLWURSRHTREDBX-GLLPKELKSA-N 926.248 7.328 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H]2C=C[C@@H](C[C@H](CC=CCCC3CCCCC3)[C@H](Cc3ccccc3)CSSCc3ccccc3C2)[C@H]1CCN 2356644322 BCONRCCLNCPPJW-UJKQAISGSA-N 690.072 9.761 50 1 KKGF CCCCCCCC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)[C@H](Cl)CCCCC)CC[C@]4(C)[C@H]3CC[C@@]21C 2356746107 UYCWFCMOPJKMKJ-BCKILZHASA-N 533.281 10.416 50 1 KKGF CC(=O)OO[C@@H]1C[C@H]2[C@](C)([C@@H](OC(C)=O)C[C@H]3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]32C)[C@@H](C=O)[C@H]1C(C)=O 2356799659 URSGLXUHWJPRFU-UFGNEEONSA-N 518.691 5.481 50 1 KKGF NC(=O)[C@@H]1Oc2cc(O[C@@H]3O[C@@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](C6=CCN=C6)[C@H]([C@@H]6CC#CCC[C@H]7C=CC(=CC6)c6ccccc67)CNC[C@]35O)[C@@H]4O)ccc2C(=O)C1=C1C=CC(O)=C[CH-]1 2356842263 MMJABDBQEGLTKK-QPZLZDDXSA-N 985.126 5.289 50 1 KKGF COc1ccccc1/C=C/C1=NN(c2cccc(S(=O)(=O)O)c2)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 6009712 CXIMSPYJZINYEJ-XZMUBJQYSA-N 581.075 5.182 50 1 KKGF O=C(NNc1ccccc1)c1ccc(NC(=S)Nc2ccc(NC(=S)Nc3ccc(C(=O)NNc4ccccc4)c(O)c3)cc2)cc1O 27724875 VJCFTBIHLYZZIG-UHFFFAOYSA-N 678.800 6.229 50 1 KKGF C=C(/C=C/C=C(\[C@@H]1CC[C@@]2([C@@H](CCCO)/C(=C(/C)C=O)CC[C@@]2(C)O)[C@@H]1O)[C@H](O)CCc1ccccc1)CCC=C(C)C 85544723 PKMBWMDJQUGTGG-SWYQKQQRSA-N 590.845 6.972 50 1 KKGF biogenic,in-vitro N#CC1=C(NC(=O)c2ccccc2)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl 102824697 FCWCHBXRGDAYBL-AREMUKBSSA-N 593.492 5.417 50 1 KKGF Cc1cc(C2=CC[C@@H](OC(F)(F)[C@@H](F)Br)CC2)sc1-c1nc(-c2c(F)cccc2Cl)nn1C 103201946 LXCQBIARLMLKIK-LRTDBIEQSA-N 564.830 7.547 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(O)(COCC#CCOCc3ccc(F)cc3)C[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169367566 JEKSPTJREHKVJN-GEMIKPKUSA-N 798.986 7.375 50 1 KKGF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@@H]3C)[C@]64OO5)CS(=O)(=O)c3ccc(COC(=O)N(C)C)cc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169615400 CRSJHIRCVZDTHB-XRGPJZAQSA-N 832.066 7.556 50 1 KKGF CC(C)C[C@H](NC(=O)C1CCC2(CC1)OOC1(OO2)C2CC3CC(C2)CC1C3)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1 205237827 ITNHADIEKAKJTK-HMNIEWEMSA-N 720.929 6.571 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@@](O)(COC(=O)CCC(=O)O)C[C@@H]3O[C@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253633385 LKGRAXYPFZAARJ-CLRPLWRPSA-N 722.869 5.407 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(C(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191920 ZHEUWIVEKPKUTJ-UATTUGJOSA-N 629.764 7.614 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(F)cc2C(F)(F)F)[C@H]1c1ccc(F)cc1 587327751 HGWYNDJHXCMMTH-RBBKRZOGSA-N 513.256 6.339 50 1 KKGF O=C(CCl)Nc1ccc2c(c1)[C@@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1C2=O 587541460 BRCVZNTYEGMNBM-IRPSRAIASA-N 511.917 5.019 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1 587557788 TWXNXPPYPTXUNP-UEQAPTSCSA-N 691.192 7.239 50 1 KKGF CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 587662087 GMWZIUUYZKIEFM-UHFFFAOYSA-N 563.743 5.927 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587670512 LBOFIQHDVKMZQC-CXAHNHKCSA-N 545.290 6.629 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc([C@]2(C)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1 962400711 GRYLWHNUDYFMOT-WXCSCPPMSA-N 596.083 6.171 50 1 KKGF CC(C)(C)C1=C[C@]2(N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)Cc3ccccc32)[C@](Cl)(C(C)(C)C)[C@@H](Cl)C1=O 963665050 FXMLGIBVGBGXBA-CSIIILDWSA-N 601.571 5.100 50 1 KKGF COc1cccc(/C=C(\C#N)C(=O)NCCNC(=O)O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H](C(C)=O)[C@@]5(C)CC[C@@H]43)C2)c1 1772583632 ZEMVBYIVBXCHKY-RITREPNPSA-N 587.761 5.981 50 1 KKGF CN(C)C(=O)c1cc2c[nH]c(=Nc3cccc(NC(=O)CCCCCCCN=C=S)c3)nc2n1C1CCCC1 1857596404 YFJULKCXZDASLJ-UHFFFAOYSA-N 547.729 5.796 50 1 KKGF Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc(F)cc2)S/C1=N\NC(=O)c1cc2ccccc2oc1=O 1857599185 DOVNOCXCCHSCHG-BULCYMTISA-N 513.550 5.371 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2C(=O)OCc2cn(-c3ccc(C(=O)O)cc3)nn2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 1857742254 XFRVWECCGKARIU-UIYJAKPOSA-N 690.838 5.573 50 1 KKGF C[C@]1(O)CCC[C@@H]2c3c(c4c5oc6c(c(=O)c5c3OC3CCCC3)[C@H](c3ccc(NO)cc3)C=C[C@]6(O)C[C@@](CO)(NC(=N)N)CSSC4)O[C@H]21 2356292671 JBPQQGFVLNEGTM-KJUOCRRSSA-N 736.913 5.084 50 1 KKGF C[C@@]12CCSSC[C@H](NC(=N)N)CC[C@H]3CSSC[C@@H](CCO)[C@@H]4CC[C@H]1CC1=C3C(=O)C[C@]142 2356370843 UTPKMLSOHZHCPO-MPLSLYSLSA-N 541.874 5.105 50 1 KKGF CNCc1ccc([C@@H](NC)O[C@H]2CCCCSSCc3c(ccc4ccc(O)cc34)-c3c(ccc(O)c3OC)CCC(=O)C2)cc1CO 2356376091 OEXPJOVDFPSXRN-PLGUFQJHSA-N 690.928 7.399 50 1 KKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](O)O[C@@H](O)[C@@H]12 2356402318 DTLZPCKDXBLCCL-GWJMRLQYSA-N 622.931 8.546 50 1 KKGF CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C=O 2356435534 FPLASDSFNINBIY-UHFFFAOYSA-N 548.855 11.893 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)([C@@H]2CCC[C@@H](O)C2)Cc2cccc(c2)C1 2356514500 HLEZDKCXSQGEJG-PWURAIGCSA-N 915.266 5.880 50 1 KKGF CC(=O)c1c(C)cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5C[C@]6(CCC7(CCCC7)C6)C[C@@H]6COC[C@](CCO)(CSSCO4)[C@@H]65)[C@@H](O)[C@H]3O)c2c1O 2356562930 JVPVHPBIUBBVLS-DIMBKBHDSA-N 831.059 6.233 50 1 KKGF C=C1C=C2C=C[C@]3(CC[C@@]4([C@H]3O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]4(C)O)C(=C2)COCC#CCC(C)=CCC1 2356597615 OGNSKUPOUFFPAD-IXNRCNHTSA-N 546.748 5.692 50 1 KKGF CC1=C2Cc3cc(ccc3O)C(=O)OC(C)(C)[C@H](Br)C[C@]3(C)O[C@@H]3CC[C@@]2(C)[C@H](Br)CC1 2356654814 LCHQEOJZPPZCSD-ASMHQJABSA-N 570.362 6.855 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356707364 SOCQRMIOUWQBFO-FEAWPAGVSA-N 674.967 5.543 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@@]4(C)CC[C@@H](SSC4)[C@@H](C3)C[C@H]12 2356721510 HAYPXTXDDKEWNC-MMCOVCPUSA-N 726.149 10.905 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SS[C@H](CCCO)[C@@H]3CCCC[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356776076 DCYLWSXAPCXWNL-JDNPPZQASA-N 922.260 6.624 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356806645 AHGQQBHWWWDJIH-BHEQRYGNSA-N 784.013 6.457 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@@H](C2(n3ccnc3)CCCCC2)SSC1 2356818353 DTANCNDDJGWORP-CLJJQJHESA-N 636.884 6.309 50 1 KKGF COc1cc(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc(Br)c1O 3275150 GJNRLBIUXPKTMH-IPPBACCNSA-N 530.378 5.241 50 1 KKGF COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC 5844024 NZYSPCVQTVQPEK-HXUWFJFHSA-O 580.061 5.852 50 1 KKGF C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CF 40639312 FEJQUBQBRRMWJR-KXFQXVLOSA-N 523.428 5.846 50 1 KKGF O=c1c2ccccc2oc2c(OCCCCCCBr)c(OCCCCCCBr)ccc12 49777505 XVOXUUCYUHQUIH-UHFFFAOYSA-N 554.319 7.614 50 1 KKGF COc1cccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](/C=N/NC(=O)c3ccccc3)CCc3ccccc3)oc12 49917669 GEBAXZVVTWYJAA-IAYDJVRRSA-N 568.674 5.119 50 1 KKGF O=C(N[C@@H](CCCCCCSSc1ccccn1)C(=O)NC1c2ccccc2-c2ccccc21)OCc1ccccc1 84619828 GWXHXSXBGRTVBY-PMERELPUSA-N 597.806 7.954 50 1 KKGF BrCCOc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br 84670207 OMVHRNYBJCVFGG-UHFFFAOYSA-N 608.744 7.303 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@]5(CCO)CSSCO4)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 85511320 CEDKDQGGHXWARL-XFIHNVTISA-N 786.962 5.115 50 1 KKGF biogenic,in-vitro CCCCCC(=S)N(NC(=O)CC(=O)NN(C(=S)CCCCC)c1ccccc1)c1ccccc1 96929536 PVOFHAQJWJCJNQ-UHFFFAOYSA-N 512.745 6.268 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4c(F)cccc4F)cc3)c3c(N)ncnc32)C1 217011130 PTCCMSBBVLUHPD-UMSHPIDHSA-N 541.562 5.169 50 1 KKGF FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587090080 JVGHCJXALSNBEV-UHFFFAOYSA-N 541.102 7.908 50 1 KKGF O=C1c2ccc(O)cc2O[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)[C@H]1c1ccc(F)cc1 587320601 FVNYKVBMPJIEGX-KGKLHAENSA-N 596.290 7.685 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@@H](Br)C(=O)c2ccc(Br)cc2)N1 587672270 YYBKYBBNWIDISY-YQQIJLMBSA-N 675.028 7.537 50 1 KKGF C[C@@H](C(=O)Cl)n1nc(C(F)(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C1CC1 587891492 HONVJLRJSKEUJB-NSHDSACASA-N 506.739 5.123 50 1 KKGF C[C@H]1[C@@H]2CC[C@@]3(C)OO[C@@]24[C@@H](C[C@H]1OC(=O)/C=C/c1ccc(F)cc1)[C@@H](C)[C@H](OC(=O)/C=C/c1ccc(F)cc1)O[C@@H]4O3 653714284 SHSMLLKCAQPUER-IXTYISBNSA-N 596.623 5.964 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)c(C)n1-c1ccc(C(C)C)cc1 962642029 TTWOWLOLTVMKJL-AZGAKELHSA-N 520.979 6.197 50 1 KKGF COc1cc2c(cc1OC)[C@@](CBr)(c1cccc([N+](=O)[O-])c1Br)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962680247 TVQREQKOYRPWDD-RUZDIDTESA-N 658.265 6.730 50 1 KKGF 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CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SS[C@H]7C=Cc8c(ccnc8N7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356299641 GJYUDCWJEHNJOC-FPFHARAMSA-N 906.180 9.035 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@H]2[C@H]4[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SS[C@H]3C=Cc4c(ccnc4N3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356300538 MXXQLTYCWXKNPY-IMZNNHRTSA-N 932.218 9.425 50 1 KKGF CCCCC[C@H](C(=O)CCc1c(O)cc2c3c1CSSC[C@@]14CC[C@H]5c6c(ccc(c61)[C@H](N)NC4)[C@H](O)C#C[C@@H]([C@@H](O3)n1cc3[nH]cc5c3c1)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@@H](C)C[C@H]1O 2356350281 ZBRJNHVJFJKDJL-ISQYVCISSA-N 957.272 9.084 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@@](C)(O)[C@@]4(CC1)[C@@H]2O)CCC=C(C)C 2356363948 RNKLDKHUYHVLLN-CHOHORCZSA-N 536.753 5.526 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@@H](O)CC=C(C)CCC=C(C)C 2356469603 UHFDAENQNSFKSB-PWLZNYQDSA-N 685.087 11.864 50 1 KKGF C[C@@H]1CCCC[C@@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1OC(=N)O 2356516067 KQQDTKLGLAIGOF-FOIWGHFBSA-N 808.668 11.832 50 1 KKGF C=C(C=CC=C1[C@H](O)CCC[C@@H]2C[C@@]3([C@@H](O)[C@@H]12)[C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)CCC=C(C)C 2356548799 FXONYYPUHYUIQH-ZHQQXKEASA-N 526.758 5.749 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@H](CC(C)C)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356644786 TTZBYHZGYZZKRC-RZGLXRBLSA-N 902.226 7.018 50 1 KKGF CN[C@@H]1CSSC[C@](C)(O)C[C@@H]2CC#C[C@@H]3C[C@@H]4c5c(ccc(O)c5OC[C@@H]4C4(CO)CCCC4)[C@@H]3C3(CCNCC3)[C@H](OC(=O)[C@]34CCCC[C@@H]3CCC(=O)N4)C[C@H](OC(C)=O)[C@@H]2CC[C@@H]1O 2356678557 KXHXNMOZJIZWEC-LTSRDTQCSA-N 980.344 6.488 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C12CCCC2 2356713206 BNQIUCINMADZNQ-RAGOYJGXSA-N 953.359 8.179 50 1 KKGF C[C@H](O)NC(=N)NC[C@@H]1C[C@]2(CO)[C@H]3C[C@@H](C4(CCCCC4)SSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@@H]3C)[C@]2(O)C2=CC(=O)[C@@H]3C[C@H](O)[C@H](O)C[C@]3(C)[C@H]21 2356777222 PPPNWTQJBMXWML-AQQINBAASA-N 966.409 7.838 50 1 KKGF CC[C@@H]1C2=CC=NC2=CN1c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CCC[C@H]([C@H]3CNC(=O)C34CCCCC4)C1)O2 2356857930 SNZXPJGHMNLYRU-GMJIDQGGSA-N 936.068 5.043 50 1 KKGF CC(C)(C(=O)OC(=O)C(C)(C)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1)[C@H](NC(=O)c1ccc(C#N)cc1)c1ccccc1 36176442 CNSJDSROLZSDCN-ROJLCIKYSA-N 626.713 6.195 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)ON[C@H](C(=O)OC)c1ccccc1 38151776 YNPRNMQEBKCOCS-XYNWWOPXSA-N 593.717 5.320 50 1 KKGF Cc1ccc2oc(=O)c(C(=O)NCCCCCCCCNC(=O)CCCC[C@H]3CCSS3)c(O)c2c1 43074420 WGRWLWAZFISPOT-FQEVSTJZSA-N 534.744 5.708 50 1 KKGF CN(C(=O)c1cc(N=C=S)cc(N=C=S)c1)[C@@H](/C=C/C(=O)N[C@@H]1CCCCNC1=O)Cc1ccc(Cl)c(Cl)c1 43562142 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CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6nc(O)nc(O)c6cc5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C 587368566 LUDVOTDDOWUFBV-CMNJXDLVSA-N 572.489 5.631 50 1 KKGF COc1cc(Cl)c([C@@]2(CBr)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1OC 587673095 KGURGXNFDYQHBC-APBUJDDRSA-N 507.625 5.432 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CI)N1 587737868 HXMSHRZEHCGHNO-BSEYFRJRSA-N 613.696 6.441 50 1 KKGF CCCCCCCCc1cc(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(CCCCCCCC)cc1CBr 587874954 KZRQBBZOHPAVOM-UHFFFAOYSA-N 649.585 10.599 50 1 KKGF COc1ccc(-c2cnnn2-c2cc(OC)c(OC)c(OC)c2)cc1NC(=O)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621476054 ACBVOAQDAHYRRA-PFZSXUIOSA-N 662.740 6.287 50 1 KKGF O=C(CCCCCCC(=O)Nc1ccccc1)NO[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 621477607 PFEMABKBLNIWIH-BTQNVASESA-N 526.674 5.783 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(C)cc3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962721221 WOSUBFSQFIGTSZ-IQTXHZLHSA-N 792.721 8.310 50 1 KKGF Cc1cc([C@]2(CCl)NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)c(C)n1NC(=O)c1ccccc1 962949479 FQAVBOAWLJOUMG-MHZLTWQESA-N 532.006 5.641 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@@]2(c3ccc(OC)cc3)c3c(ccc(OC)c3OC)CCN2C(=O)c2ccccc2N)cc1 963135802 CPRYHCMUCYTMGM-UZNNEEJFSA-N 645.550 5.892 50 1 KKGF COc1cc([C@]2(CBr)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)ccc1[N+](=O)[O-] 963211424 BQHMJKPBZFGJJA-OOOSNSGVSA-N 749.483 6.024 50 1 KKGF COc1ccc2c(c1)[C@@](CBr)(c1cc(F)ccc1S(C)(=O)=O)N(Cc1ccc(F)cc1)CC2 963291004 ZWHGRBKRBZDDOH-VWLOTQADSA-N 536.438 5.074 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1C(C)=O 963315924 HUZQJRZKODWPJS-OEZLWVFVSA-N 838.661 5.374 50 1 KKGF COc1ccc(C(=O)[C@@H](Br)[C@]2(c3ccc(OC)cc3)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc1 963862750 GIWWKNUVEMWARZ-ATHFMRPZSA-N 638.555 6.539 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)c3ccc(C)cc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)cc1 963862752 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C=C(O[C@H]1[C@H]2[C@H](OOCC)[C@]3(CC[C@H]4[C@@H](C=C(C)C(=O)[C@@]2(OOCC)C[C@H]1C)C4(C)C)CO3)c1ccccc1 2356358210 YFRWOSJDDKRGNG-URBWGVNLSA-N 540.697 6.093 50 1 KKGF CNCc1c(O)c2c(c3c1CC#Cc1[nH]c(=N)ccc1C[C@H]1CC[C@@]4(Cc5cc(O)cc(OCO)c5-c5ccc6c(c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c2ccc(O)c(OC)c2)C(=O)C=CCC2(CCCC2)c2cc(c(O)c(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC4CCCCC4)C3)c2)N1 2356497465 OOMSMBZLGLKHGA-RSNGTAASSA-N 865.216 8.998 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)CCC=C(C)CNCC 2356717222 KOONJTGWWJENFE-DJMUAEPBSA-N 600.885 5.194 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356775499 NQDXHZIPWLTPDF-DWROZRCISA-N 855.214 7.506 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@H](OC(C)=O)CC2)CC1=O 2356779656 VUBROGPTPRHSHX-OPTPMPPXSA-N 714.995 6.031 50 1 KKGF C[C@H](CC=Cc1ccccc1)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@@H]1c1cc[nH]c1 2356816913 DFJCMMDFYVUFLZ-QCKYSKDDSA-N 800.952 6.241 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](C1)[C@H](CCc1ccccc1)C1=C(C#CCc5cc(O)c6c(c5[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSSC[C@H]3O6)C4)N[C@@H](N)C=C1)C2 2356855025 QYJQZNUFKYCJIB-HWFAEBLOSA-N 990.301 10.341 50 1 KKGF Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@]1(C)CCSSCc2c(cc(C[N+]4=CC5=CC=NC5=C4)nc2N)-c2cc(cc(N)n2)CC[C@H]2O[C@]2(C)C(=O)O[C@@H]1C3 85593855 FCANQRCLSCLVLY-ABDBYZBMSA-O 779.921 5.558 50 1 KKGF biogenic,in-vitro C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCOCc3ccccc3COCC[C@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169304148 RRZDHISDPUJJGB-QDYPORCMSA-N 726.948 8.001 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1CNC(c1ccccc1)(c1ccccc1)c1ccccc1 203768140 QTTFTVPTSUAFOG-HZFRXHCASA-N 583.805 5.796 50 1 KKGF CO[C@@H]([C@H](O)CC(=O)[C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]1O[C@@]2(CC[C@@H]1C)CC[C@@H](C)[C@H](CC[C@H](C)[C@@]1(C)CC(=O)c3cc(C)cc(N)c3O1)O2)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587413997 UYZNPLFSYYXZAV-BUYJNVBASA-N 914.143 6.511 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CBr)(c1c(Cl)cc(C(F)(F)F)cc1Cl)CC2=O 587464626 UUAXUOWPZOOASW-IBGZPJMESA-N 512.149 6.926 50 1 KKGF O=C(O)C[C@@H](Br)[C@@]1(c2ccc(Br)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497607 DBDDBBPQNUJZPR-KNQAVFIVSA-N 508.206 5.427 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)N[C@@H](C)Cc2cc(Br)c(F)cc21 587685494 QXFFCUSFIJAHNP-WAIHLJACSA-N 716.092 5.741 50 1 KKGF Cc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(C)cc3)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 962566970 BQIQYUITPAXRFY-FVNZYIGWSA-N 701.617 7.849 50 1 KKGF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc(I)c(Br)c2)N1 962965227 ZRTUWVFAGKDELZ-ZUOKHONESA-N 574.098 6.098 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(OC(F)F)cc1)[C@H](Cl)C(=O)c1ccc(OC(F)F)cc1 963028077 BZRATSRVSSCQJA-UHSQPCAPSA-N 574.958 6.326 50 1 KKGF C[C@H](Cl)[C@@]1(C#C[Si](C)(C)C)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963079773 PPRJLLVDJAZHDA-HXCGGYCHSA-N 744.253 8.346 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@@]3(CCl)c4scnc4C[C@@H](C(=O)O)N3C(=O)OC(C)(C)C)c2C)cc1 963142713 LFDYBAFHVFUOGS-IDISGSTGSA-N 560.072 5.066 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(CCCC[C@@H]2CNCCBr)N1 963158809 NVCLOAATZVZHPL-YQZOCMGJSA-N 653.665 6.337 50 1 KKGF CC1(C)C(=O)N(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C(=S)N1c1ccc(S(F)(F)(F)(F)F)cc1 1857577747 MQIGNWPLNVAUFE-UHFFFAOYSA-N 535.438 7.188 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@@H]2[C@@]12Cc1cc3cc(C[C@H](CO)CCCO)c(=O)oc3cc1O2 2356293579 IUFWCOHHMYFIKU-NMZJLPIISA-N 761.963 5.118 50 1 KKGF NCC[C@@H]1CC[C@H](CC=C[C@H](O)[C@H](O)C2CCC(O)CC2)[C@@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 2356321632 GQZGNRFZYWIVHF-LHTPROBUSA-N 700.020 6.537 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@H](C)Cc2cccc(c2)C1 2356362778 DVRJWEBPVJJDRP-RHCQIDSTSA-N 741.026 5.417 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C3=C(C=O)CCC[C@@]3(C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356377769 LFAITZBWSDYGTD-XOHFXXARSA-N 857.186 5.883 50 1 KKGF CCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 2356530337 AIQQMANOGBFNOQ-UJKKYYSESA-N 896.754 12.924 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@@](CCNC)(CCOC)Cc2cccc(c2)C1 2356759597 CZJIEDQMUAGKDR-VKUKXFJCSA-N 800.138 5.561 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@@H]2[C@H](O)CC[C@H](NC[C@@H](O)C2CCCCC2)C1 2356846356 ONCVDSAPDQJCQN-ISWXYWAFSA-N 891.254 5.892 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@@H](C)O)SSCNC7=CC(=CCN7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356852169 QNUWIUZEZPJADY-HIQNMYLLSA-N 774.106 8.454 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1C[C@H]3C[C@@H]4C[C@@]5(CO)O[C@H]6Oc7cccc8c7C(=O)[C@@]7(CSS[C@H]9CC%10=C[C@@H]2[C@@]1(C1=C3CNC(=C%101)N9)[C@H]4[C@@](O)([C@@H]6O)[C@@H]5O)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]7C8=O 2356853929 RKWXQVHUSHTXFY-CCHOZYHPSA-N 973.179 5.138 50 1 KKGF C=CCOC(=O)[C@]12CCC(C)(C)C[C@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 38145625 PTWUEXSNDZIQQV-IQJWXSGESA-N 531.737 6.935 50 1 KKGF CCCOc1c(C(=O)N/N=C(/c2ccccc2)c2ccncc2)sc(C(=O)N/N=C(\c2ccccc2)c2ccncc2)c1OCCC 49709092 PCPWURPTLIEZSO-IHQGOOSRSA-N 646.773 6.481 50 1 KKGF C[C@H]1CC=C[C@]2(C1)C[C@]1(CCC3(CCCC3)C1)C[C@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@]4(C)CC[C@H](SSC4)[C@@H](C3)C[C@H]12 85543473 LEDBRCQWCQYGTC-OQGJOQFWSA-N 696.123 11.687 50 1 KKGF biogenic,in-vitro CC(=O)O/N=C(/C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 95582281 YOXSDOWOTZPTPC-VLKXLFRISA-N 633.779 5.797 50 1 KKGF CCCN(NC(=O)[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)N[C@H](CN(C)S(=O)(=O)c1cccnc1)C(C)(C)C)C1CCCCC1)C2(C)C)C(=O)N[C@H](C)c1ccccc1 96903385 KGAPRWZPVPYFBG-OCXFKIBLSA-N 795.064 5.062 50 1 KKGF Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4ccc(F)c(F)c4)C4=C3C(=O)CCC4)cc2c1 96907846 RKMQZYMORXDKBH-SSEXGKCCSA-N 559.576 6.790 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56CCC[C@@]5(CC[C@@](/C=C/C(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)(C[C@H]1O)C4)C[C@](O)(CO)CC6 150349095 SXWQTHBMZLUXQJ-MROATKFVSA-N 995.297 8.393 50 1 KKGF biogenic,in-vitro COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCCSSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C/C=C(\C)C2 169361436 SBWFAIGFKMBQFX-YMCHOTITSA-N 798.421 5.306 50 1 KKGF CCCCC[C@@H]1CCC[C@@H]2N[C@@H](CCCCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC[C@H]21 195759925 PBOVJYYHOUXFBG-SOKNIMEWSA-N 533.917 8.241 50 1 KKGF COc1cc2nc([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)[nH]c2cc1C 587189290 AZYOYCUUFWLMBJ-HHPSVRIHSA-N 605.820 6.912 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(C(F)(F)F)ccc2Cl)[C@@H]1c1ccc(F)cc1 587326797 CVPMBIMINVTLFR-IRLDBZIGSA-N 529.711 6.853 50 1 KKGF Cc1cc(C)c2c(NC(=O)CCl)c([C@@]3(C)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)sc2n1 587375830 VAFMRPLYNYJOTN-CUNXSJBXSA-N 525.001 6.209 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 587672166 DHASJXARSCHYPU-VWVPQACVSA-N 520.281 5.360 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(Br)cc2C(F)(F)F)N1 587711241 IXFALWIMQBXSJX-XYZCENFISA-N 560.021 6.542 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)c(Br)c2)N1 587718719 OAMTUSMYSSQXHA-HUTHGQBESA-N 510.014 5.663 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2c(NC(=O)CCl)sc3c2CCCC3)N1 587859608 XQLXRDNZEKWDHG-PVPMGCCUSA-N 547.921 6.532 50 1 KKGF CCS[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1OC(=O)CC[C@]1(C)NCCc2cc(C)c(F)cc21 962089654 HNOVVBVXBSJZSI-HPKUSDFKSA-N 659.937 7.170 50 1 KKGF COc1ccc2c(c1)[C@](c1ccc(Br)cc1)([C@H](Br)C(=O)c1ccc(Br)cc1)N(C(C)C)CC2 962090021 IDLWSDYWFSYCRC-KAYWLYCHSA-N 636.222 7.377 50 1 KKGF COc1ccc(F)cc1[C@]1(CCl)c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962572413 KUVQLDWQJIFJHI-WXGMZPBLSA-N 573.020 5.972 50 1 KKGF O=C(c1ccccc1)N1CCCc2cc([C@]3(CCl)c4ccccc4C[C@]4(C5CCC5)C(=O)NC(=O)N43)ccc21 962656430 AWTUJASQXVRAQR-AJQTZOPKSA-N 540.063 5.409 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@]3(CCl)c1cc(C)n(-c2cccc(Br)c2)c1C 963064033 GCSUFPMMPYOXOF-AREMUKBSSA-N 510.863 6.042 50 1 KKGF C=C1/C=C/C(=O)N[C@@H](C)C(=O)N[C@H](C(C)C)C(=O)O[C@@H]([C@H](C)CCCCCC)[C@H](CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)N1 1772616964 QSEMYQVVFCUPPF-LGDVIVBFSA-N 732.051 5.933 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)c2c[nH]c3ccc(C(=O)NNS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)cc1 1857542696 RYINZWQRPONGJX-UHFFFAOYSA-N 822.838 5.201 50 1 KKGF COc1ccccc1N1CCN(CCCNC(=O)NN(Cc2ccc(-c3ccccc3)cc2)c2ccc(F)cc2)CC1 1857555189 GVELBPROBDYNNT-UHFFFAOYSA-N 567.709 5.934 50 1 KKGF C[C@@](O)(CSc1cccc(S(F)(F)(F)(F)F)c1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 1857575773 ZFXWFERMWALKMQ-QGZVFWFLSA-N 506.440 6.716 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)c3c1C[C@H](CO)CC3)CC(=O)CC2 2356351782 GBRHWUKNSFOPBP-QBXYTNHTSA-N 957.265 8.592 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356462175 ILOJWFOJTRYPKF-KJZZZIGDSA-N 837.199 8.123 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356530577 GBBAFSKMUHKXSA-HOHBAURBSA-N 929.307 9.041 50 1 KKGF CC1(C)[C@@H](O[Si](C)(C)C)CC[C@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@]3(C)CCCC(C)(C)[C@H]3CC[C@]21C 2356549170 UCSGOFGFMZNLMQ-JZBDFJODSA-N 500.928 10.108 50 1 KKGF CN[C@H]1[C@@H](O)[C@H]2C=C[C@H]1SSC[C@](C)(O)CC[C@@H]([C@H](C[C@H](OC(=O)[C@]13CCCC[C@@H]1CCC(=O)N3)C1([C@@H]3CC[C@@H]4CCOc5c(O)ccc3c54)CCNCC1)OC(C)=O)C2 2356734776 TWONKCAOHQJWOW-YUKATZGESA-N 870.188 6.014 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C4([C@H](CO)CCCO)CCCC4)c(=O)oc3cc1O2 2356809394 AQMSGNQNWKMEBK-FEXWOMFCSA-N 939.210 5.670 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)CCC[C@@H](CC4)[C@H]3OCCO)C=C12 2356810608 AZFFXGQZTOGGMI-RVWHKGEZSA-N 874.223 6.742 50 1 KKGF COC(=O)c1c(C(F)F)nc(C(F)(F)F)c(SSc2c(C(F)(F)F)nc(C(F)F)c(C(=O)OC)c2CC(C)C)c1CC(C)C 67948279 FMJLMOHHTAABLB-UHFFFAOYSA-N 684.618 9.159 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(F)cc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 96283551 TVQDWDJKOAWOEW-FDALDRLYSA-N 603.670 6.970 50 1 KKGF C=C(C)[C@@H]1OOC2(CCCCC2)O[C@@H]1CCO[C@H]1C[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 101651370 RUJGRLAJEWRSBL-FBXISZGNSA-N 506.680 6.012 50 1 KKGF COc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNc1ccccc1OC 103951597 RZRTUFXOVJUBHD-UHFFFAOYSA-N 576.917 6.587 50 1 KKGF C[C@H]1CC[C@@H]2[C@@]34OO[C@](C)(CC[C@H]13)O[C@@H]4O[C@@]2(C)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@H]([C@H]1C)[C@]42OO3 148843916 RPVOJEKMAVTVFM-FGEXRVLXSA-N 550.689 5.216 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C\C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 169339087 OVLOKMBRSPGNJS-OSIUSZLMSA-N 733.730 5.942 50 1 KKGF C=C(C)C[C@H](OC(=O)C(C)(C)CC)[C@H]1[C@@H](CC[C@@H]2C[C@@H](O[Si](C)(C)C(C)(C)C)CC(=O)O2)[C@@H](C)CC[C@H]1O 169962058 AMEKTZOFUFOJDQ-IZWNDBAZSA-N 552.869 7.200 50 1 KKGF COc1cc(-c2cc(=O)c3ccc(OC(C)=O)c(OC(C)=O)c3o2)cc(OC)c1O[Si](C)(C)C(C)(C)C 195118401 RAECAGMFYRAGSR-UHFFFAOYSA-N 528.630 5.712 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](C[C@H](COC(=O)CCC(=O)O)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 253687995 MRMWPXILPFNNHC-FCKQSTEHSA-N 706.870 6.292 50 1 KKGF O=C(CCCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc(Cl)cn1 587080996 IZBBSZWUYDZUHP-UHFFFAOYSA-N 504.706 7.237 50 1 KKGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(Br)cc1C(F)(F)F)[C@@H](C2)C3=O 587419332 FVYMULXHHIGCCG-KBXCAEBGSA-N 506.112 5.514 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@@]1(CCl)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962628322 LUGQYLAQTXHQJU-VZPHFUHGSA-N 555.269 7.173 50 1 KKGF CC(C)c1ccc([C@@]2([C@H](C)Br)c3[nH]c4ccccc4c3C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C)cc1 963061718 FRTLWBTWOGBNIW-CAIUWVOSSA-N 585.539 6.316 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cccc([N+](=O)[O-])c2)N1 963171061 KDTHSYWNCKJJLB-HJIQQCSTSA-N 663.572 6.514 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](O)c1cc(O)c([C@H](CCCC)CCCC[C@@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356328077 OALOPYYRKWCJGW-JZFYSFDMSA-N 663.336 10.311 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356350167 WBWNEZYNFAENKJ-MJUCDTNLSA-N 829.094 8.743 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@H](CSSCc1cc(O)c(OCCNC5CCCCC5)cc1[C@@H](O4)[C@@H]3COC(C)=O)C2 2356352834 CGEASRFEAXVAAG-XBBVKXPPSA-N 663.858 7.390 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2[C@H]2C=C[C@@]4(CCC[C@@H]4C2)O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@@]2(CCCC23CCCC3)SSCCCCCC[C@H](O)C1 2356377827 MRSOXQWHADGTQT-RZFPHVRASA-N 939.342 10.795 50 1 KKGF C=C1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@@H]2[C@H](O)O[C@H](O)[C@@H]12 2356402320 DTLZPCKDXBLCCL-QPAXXPCHSA-N 622.931 8.546 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@H]1O[C@@]3(CSS[C@]4(CC[C@]5(CC[C@H](CNC)C5)C4)[C@@H](CC[C@H](C)CCC[C@@H]3O)NCCO2)[C@@]2(O)C[C@@H]3C=C[C@H](O)[C@H](CO)[C@@H]3[C@@]1(O)[C@@H]2O 2356483914 CIRPZZGIVZGOGV-JLQMCLTGSA-N 945.251 5.023 50 1 KKGF C[C@@H]1CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCCBr)c2c(O)cc(cc2O)[C@H]1OC(=N)O 2356657873 WRARFMLYIOUCLD-VZKUUSFJSA-N 828.680 11.014 50 1 KKGF O=C1C(=C2C=CC(O)=C[CH-]2)COc2cc(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H]4OCSSC[C@H](C5=CCN=C5)[C@H]([C@@H]5CC#CCC[C@H]6C=CC(=CC5)c5ccccc56)CNC[C@]34O)ccc21 2356859488 SVDNOZRNUXLLFU-UPFYIIKNSA-N 890.069 6.556 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3C[C@H]4C(=O)C=C[C@@H]5[C@@H]([C@@H]4NC)[C@@H]3N5C(=O)CC3=C(C=C(N)NC3)[C@@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)Cc4ccccc4)c(=O)oc3cc1O2 2356861934 UVFYIHRCVSYRRI-VXEHOBPUSA-N 975.243 6.012 50 1 KKGF CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 49614793 DGHQJTNWIVDKTA-XXNPERMQSA-N 674.842 7.179 50 1 KKGF CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](C(=O)c3ccccc3)(C(=O)C3=C2OC(C)(C)[C@@H](OO)C3)C1(C)C 49872493 LCJOSIBQVUSWIH-KONXUGJESA-N 534.693 7.064 50 1 KKGF in-vitro C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)[P@](=O)(O)C[C@@H](CCCc1ccccc1)C(=O)N(N)[C@@H](Cc1c[nH]c2ccccc12)C(N)=O 95610360 UFJUEKAJZPTZED-VHWKSVJZSA-N 780.863 5.176 50 1 KKGF Cc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CC(C)(C)C4)cc2c1 96907853 NASHELNRHQLCBT-HKBQPEDESA-N 619.647 8.167 50 1 KKGF N#CC1=C(N)OC2=C(C(=O)CC(CCCCBr)(CCCCBr)C2)[C@]12C(=O)Nc1ccccc12 98082468 SNQMFHGRXQKDFO-RUZDIDTESA-N 577.317 5.334 50 1 KKGF COCC(=O)OCC(=O)[C@@]1(OC(=O)c2ccco2)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118933953 BQRMSQJXAYZAON-UFJSZNTRSA-N 593.500 5.067 50 1 KKGF O=C(c1ccccc1)c1ccc(Br)cc1OCc1nnc(N2C(=O)[C@H](Cl)[C@H]2c2cccc(Br)c2)o1 150578208 VOCPBUJTMPFOAF-FGZHOGPDSA-N 617.681 6.100 50 1 KKGF Cc1cc(Nc2ccc(Br)cc2)c2cc(NC(=O)Nc3ccc(N(CCCl)CCCl)cc3)ccc2n1 169352622 LIRCOLLDYNGTHP-UHFFFAOYSA-N 587.349 7.977 50 1 KKGF CCCCn1nc(C(C)(C)C)s/c1=N/C(=O)c1cc(C(F)(F)F)ccc1N(/N=C/c1cccc(C)n1)C(=O)OC(C)(C)C 169708261 AQTPCUKHKIDFHL-KHDJKSMSSA-N 618.726 7.281 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@](C)(O)[C@@H]4CCCNC4)[C@@H]3CC[C@@H]2C1 169851865 CCSNJCXSNTXCPB-VUWSKIHUSA-N 517.915 7.786 50 1 KKGF CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 195240881 AVXBTDQOULFGGT-UHFFFAOYSA-N 577.838 6.594 50 1 KKGF CO[C@H]1O[C@H](CBr)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 195476031 ZJEJBLWGAZBXNH-OROKPMTGSA-N 984.043 13.885 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CC(F)(F)C[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21 211018688 QWENXYFISYOVAE-VBIXMBBUSA-N 559.552 5.103 50 1 KKGF CCCCCCC[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC[C@@H](Cl)COS(=O)(=O)O 231928832 WAZWQAUPFQVNCE-GMKBEQEGSA-N 703.015 8.292 50 1 KKGF CCCCCCCC(=O)OCCC[C@@H]1/C(=C(/C)C=O)CC[C@](C)(O)[C@@]12C[C@H](/C=C(C)/C=C/C1=C(C)CC[C@H](C)C1(C)C)O[C@H]2O 238752505 BYGFDSFPDBVAMG-LDLBKJIOSA-N 626.919 8.716 50 1 KKGF Cc1ccc([C@H]2CC=C(CBr)[C@@H](c3ccc(C(C)(C)C)cc3)N2S(=O)(=O)c2ccc(C)cc2)cc1 261184737 XAQPUAJCGPRLQN-FQLXRVMXSA-N 552.578 7.799 50 1 KKGF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 587241427 BLUOXLLPTVPLLN-UHFFFAOYSA-N 530.313 7.702 50 1 KKGF C[C@H](Cl)C(=O)Nc1cccc2c1[C@@]1(Oc3cc(O)ccc3C(=O)[C@@H]1c1ccc(F)cc1)c1ccccc1C2=O 587323463 KJDTXXCVTWGBKL-AXBDSETKSA-N 541.962 5.944 50 1 KKGF Cn1cc([C@]2(c3ccccc3F)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1/C=C(\C#N)c1cccc(C(F)(F)F)c1 587326897 DGQKFGSQCPGNGT-KWNNDBMVSA-N 626.581 8.395 50 1 KKGF CCCC(=O)O[C@]1([C@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 587336613 UJMAJGOOPDRHLO-FQCZGGRNSA-N 707.210 7.775 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 587369792 OUDKFINSLGOEOL-IXCJQBJRSA-N 555.027 5.079 50 1 KKGF CC(=O)Oc1c([C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]32C)[nH]c2c(C(=O)O)cccc12 587638548 NJELFHIRPCYTTH-LFPAOERASA-N 572.485 5.866 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)cc2)N1 587672250 FHTZFSKPKZTALG-GYCJOSAFSA-N 519.252 6.340 50 1 KKGF COc1cc([C@]2(CBr)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1OC(F)F 587720383 SUBWWKRTCIPWQO-OVWNDWIMSA-N 509.160 5.371 50 1 KKGF COc1ccc(/C=N/NC(=O)c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(Cl)cc3)c2C)cc1OC 653740770 YPQWGKXLKKCYDD-AMVVHIIESA-N 543.838 6.589 50 1 KKGF COc1ccccc1N1CCN(C(=O)Cc2ccc(O[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)CC1 653776582 WOTIMFCRXMIZQZ-JRLRKLNUSA-N 592.733 5.173 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@](c2ccccc2Cl)([C@@H](Cl)C(=O)c2ccccc2Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 962574521 UZXMOGXJEHKBIH-KKEQDWCWSA-N 698.002 8.383 50 1 KKGF C[C@H](O[Si](C)(C)C(C)(C)C)c1ncc([C@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)s1 962961060 SHMKVLKTYVFHBX-HRAATJIYSA-N 512.714 6.986 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@](CBr)(c2cc(Cl)ccc2O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963087080 LGIZUNNFNLPZKE-HJIQQCSTSA-N 638.989 7.988 50 1 KKGF C[C@@H]1C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@@]1(CCl)c2cccc(Br)c2CCN1C 963281657 UKHRMWJURJQNAO-TULKJNHUSA-N 717.528 7.446 50 1 KKGF C=C[Si](C)(C)OCC1=C(C)C[C@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O[Si](C)(C)C=C)C=CC(=O)[C@]6(C)[C@H]4CC[C@@]32C)OC1=O 1857543394 MZXVANGCZVGBEY-XQQGVDNSSA-N 638.994 7.262 50 1 KKGF COc1cc(/C=C(\C#N)n2cc([N+](=O)[O-])nc2C)c2c(c1OCc1ccc(Cl)cc1Cl)CN1CCc3cc4c(cc3[C@@H]1C2)OCO4 1857603086 KVWIVPXLTJVPOK-WHJAJMKWSA-N 660.514 6.900 50 1 KKGF C=C1C[C@H]2c3c(cc(CCCCC)cc3OS(=O)(=O)c3ccc(C)cc3)OC(C)(C)[C@@H]2C[C@H]1OO 1857655434 SSTGRNSQXXIYRX-WXFUMESZSA-N 500.657 6.574 50 1 KKGF CCCCC[C@@H](C)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](CC1)C2 2356292172 MUOGCCZSVYDGMR-AEEICFDCSA-N 874.226 11.012 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC6(CCCC6)[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCCC1)CC[C@H]3O 2356368642 RDLHNLNMBHJKRQ-ALAANGBPSA-N 991.454 12.291 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)NCC2=C[C@H]1CCC2 2356637445 SGXNXTAOWPLVQH-CLMGCUSESA-N 857.186 5.739 50 1 KKGF C=C1C[C@H](O)[C@@H]2CCCC[C@@H]3C[C@@H]4C(=CC(=O)[C@@H]5C[C@H](O)[C@H](O)C[C@]45C)[C@]4(O)[C@@H](CSSC[C@@H](n5ccnc5)CC1(C)C)C[C@H]2[C@@]34C 2356765419 QJCVSTIUXSTRTL-CEOPJHQGSA-N 685.009 6.390 50 1 KKGF CNC[C@@H]1C[C@H]2C=C[C@H]1[C@@H]1c3c(cc4oc(C)cc(=O)c4c3O)O[C@]3(C)CCSSCC4=C(N)N[C@H](Cn5cc6cc[nH]c6c5)C=C4[C@H]4C=C(C=C(N)N4)CC[C@H]4O[C@@]24C(=O)O[C@@H]13 2356835538 KSPCNXCOBMZBCX-JUJOHUICSA-N 892.117 5.448 50 1 KKGF CCCCC[C@H](C(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4CN(C=C14)[C@@H](O3)[C@@H](C#C[C@@H]5O)C1(C#CO2)CCCC1)[C@H](O)[C@@H]1C=C[C@H](C)C[C@@H]1O 2356839348 LTMVZCWRFNDCOT-WLYZSCBQSA-N 915.235 7.924 50 1 KKGF C=C(c1ccc(Oc2cccc(C(=C)[C@H]3COC4(OO3)C3CC5CC(C3)CC4C5)c2)cc1)[C@H]1COC2(OO1)C1CC3CC(C1)CC2C3 42851869 NQUDDQHPNPZEJF-RFNHCVEFSA-N 638.801 8.504 50 1 KKGF CCOP(=O)(OCC)[C@H](NCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)C 95582784 GOVMIRDVRUYVCU-YTTGMZPUSA-N 554.672 7.379 50 1 KKGF C=C(C)[C@@H]1OOC2(CCCCC2)O[C@@H]1CCO[C@@H]1C[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3 101651368 RUJGRLAJEWRSBL-IUWNHSTISA-N 506.680 6.012 50 1 KKGF CC(=O)OCC(=O)[C@@]1(OC(=O)c2cccs2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C 118932841 VHUICZOJPGXDGF-NICQZLNSSA-N 579.542 5.909 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@@H]3CC[C@@H](C[C@@H](c6cc(O)ccc6-4)[C@H]5CO)[C@@H]4CC=C[C@@H](C4)SS3)[C@H]2O)c1O 150342875 WKHGSAFUJWVRFZ-BEIHGMDNSA-N 793.013 7.925 50 1 KKGF biogenic,in-vitro CCCNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(CC)CC1)OO2 150532505 XFDCBCFZIFCDGE-YWGRYXDWSA-N 689.931 7.574 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC3(C[C@H]4O[C@@H]5O[C@]6(C)CC[C@H]7[C@H](C)CC[C@@H]([C@H]4C)[C@]75OO6)COC4(CCC4)O3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 169365590 WRHCFDHLPXGBKW-RPUBLRQKSA-N 674.872 6.933 50 1 KKGF C=CCO/N=C(\C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]42OO3)[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@H]([C@H]1C)[C@]42OO3 169616861 WGDOECSYODBCCA-PIBBWCCISA-N 631.807 6.436 50 1 KKGF COc1cc2c(Oc3ccc(/C=N/NC(=O)Nc4ccccc4F)cc3F)ccnc2cc1OCCCN1CCCCC1 205425846 CJNPGLVPSBMGJK-QLQYKETESA-N 589.643 6.724 50 1 KKGF Cl[P@]12=NP(N3CCC4(CC3)OCCO4)(N3CCC4(CC3)OCCO4)=N[P@]3(Cl)=N[P@@]4(=N1)N(CCCN4Cc1ccccc1O3)Cc1ccccc1O2 473235162 PABFCMWXUDTEQB-CYNDXWADSA-N 817.529 9.133 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc([N+](=O)[O-])cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191429 ZSRJZVFGBCTQSM-UATTUGJOSA-N 606.764 6.503 50 1 KKGF COc1cc([C@]2(CBr)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-] 587322750 OGUPIQICCZBFTA-GMAHTHKFSA-N 502.292 5.097 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2cc(Br)ccc2F)[C@@H]1c1ccc(F)cc1 587336477 UDKVPXJIJJJWRN-IRLDBZIGSA-N 524.155 6.082 50 1 KKGF CCC(=O)O[C@]1([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 587552534 AIRAHYLRTLWNDN-WSYULRSLSA-N 679.181 6.640 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(c2ccccc2NC(=O)CCCl)N1 587685631 RAOLFJODDKJMQM-LMKMVOKYSA-N 501.827 5.982 50 1 KKGF CCCCCCCCc1cc(CC#Cc2cc(Cl)ccc2OC)c(CCCCCCCC)cc1CBr 587897996 CUUDBCKWFGMVNP-UHFFFAOYSA-N 574.087 10.644 50 1 KKGF C=CCC[C@@]1(CBr)c2c(ccc(OC)c2OC)CCN1C(=O)c1ccc(C(F)(F)F)cc1 962681885 XFJUZITXXYEDLA-HSZRJFAPSA-N 512.366 5.978 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@]12CCN(C(=O)OC(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)C2 963244889 XOXAODRCYXMDPE-HXVQJGFHSA-N 502.816 6.960 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1C(C)=O 963305546 YWGFLOXSDQFSEG-YIRKFOGISA-N 880.855 7.429 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]2(CBr)c1cccc(I)c1F 963841136 IBGTUBSSAHFLID-GYCJOSAFSA-N 618.281 6.014 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1\C(=O)c2ccccc2[C@]12c1ccc(C)cc1C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C 963905335 WQGFARWEFXZSPA-SWHLLOQQSA-N 581.669 5.280 50 1 KKGF CCOC(=O)c1ccccc1[C@]1(CBr)c2ccccc2C[C@@H](C(=O)NC)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937778 HONHHAFAIBRSDB-ODTAATPOSA-N 730.747 5.639 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](SC#N)C(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C 1857548717 KDMJMGWOUSRWOG-ILPDSEOJSA-N 511.772 7.490 50 1 KKGF CCSC(=O)[C@@H]1CCC[C@H]1[C@@H]1CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 1857742282 IMFKFOAHXOIDHO-VLOGZXIDSA-N 533.775 5.831 50 1 KKGF COc1cc(NCCCNC(=O)C2CCC3(CC2)OOC2(OO3)C3CC4CC(C3)CC2C4)c2ncccc2c1-c1ccc(F)cc1 1857760607 LCXAXZSGOJCJEO-UHFFFAOYSA-N 631.745 6.917 50 1 KKGF CC(C)(O)[C@@H]1Cc2c(c3c4oc5c(c(=O)c4c2OC2CCCC2)[C@H](c2ccc(NO)cc2)CC[C@]5(O)C[C@H](NC(=N)N)CSSC3)O1 2356295283 YPWKKJCRGDZUJG-ZGRYLILZSA-N 682.865 5.240 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356370504 AYDSPICUMVHRMJ-OETDXHEFSA-N 742.111 6.300 50 1 KKGF C[C@@H]1CC[C@H](O)[C@@]23[C@@H]([C@H]4C[C@@](C)(C#CC[C@@]5(C[C@H](Cc6ccccc6)CC[C@@H]5CSSC[C@@H](Cc5ccccc5)C1)C(=O)O4)[C@@]2(O)CCC1=CC(=O)OC1)[C@@](C)(C1CCCC1)CC[C@H]3O 2356759488 TZMUNTBPQXJUKF-NUCTYADNSA-N 923.335 10.730 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]12CCc1cc(O)cc(c1)N1CC[C@]2(C1=O)[C@H](CCC[C@H]2CO)[C@@H](CCCO)SS[C@@H]5O 2356768581 SSKAJJVJHDMLDA-GCJHMPHZSA-N 928.264 5.676 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356774878 FFOFEJQGYYMGND-AZGPPHTGSA-N 816.234 7.200 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CCCC[C@](CCO)(CC4(c5ccccc5)CCCCC4)C#C[C@@H]3C=C12 2356817394 DKNOMFPIFRDIDX-DDBMWRDRSA-N 992.402 8.970 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)N[C@]3(CCCC34CCCC4)SSCCCCCC[C@H](O)C1)CC2=O 2356855353 RCMGBONMARBAHD-QVMCBUBMSA-N 881.263 8.058 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@@H](Sc3ccccc3[N+](=O)[O-])C[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 2063440 INDBPULSIXDSCZ-RXZDJQSYSA-N 523.998 6.744 50 1 KKGF CNN(C)C(=O)c1cc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)nc1Oc1ccc(F)c(F)c1 28903106 KLRIKMQKTSWQHL-UHFFFAOYSA-N 548.804 7.653 50 1 KKGF CC1(C)CC[C@]2(C(=O)OCC3CC3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145575 OELALEVVTMRZNB-OPXHZMSJSA-N 545.764 7.159 50 1 KKGF COc1cc(/C=C(\C#N)c2ccccn2)cc(-c2cc(/C=C(\C#N)c3ccccn3)cc(OC)c2O)c1O 40786387 FZCCTLQIIBCHHC-XHQRYOPUSA-N 502.530 5.700 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](=O)[O-])c3cc(C(C)=O)ccc43)[nH]c2c(OC)c1OC 49695121 XTARRYIOOJBKAR-INIZCTEOSA-N 537.956 5.441 50 1 KKGF Cn1cc(C/C(=N\O)C(=O)NCCSSCCNC(=O)/C(Cc2cn(C)c3ccc(Br)cc23)=N/O)c2cc(Br)ccc21 95574052 TWKGXBQCDDGRQF-IENBMRAWSA-N 738.528 5.254 50 1 KKGF N#Cc1c(-c2ccc(Cl)cc2O)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933461 XSLUWYIHOGVUOP-DQEYMECFSA-N 526.383 6.218 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@H]1C[C@]([C@H]4C=C[C@H]5CCC[C@@]5(C[C@H](O)CO)C4)(/C=C/C(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)[c-]3ccnc3CC#C2)C[C@H]1O 150349101 MAGQNLXSEBITBD-XZLWQQHSSA-N 957.248 7.878 50 1 KKGF biogenic,in-vitro CC(=O)c1ccc2c(c1)[C@H]1[C@H](C[C@H](Sc3ccccc3[N+](=O)[O-])[C@@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2 169299304 INDBPULSIXDSCZ-IEYPPISJSA-N 523.998 6.744 50 1 KKGF COC(=O)[C@H]1C(C)=NC(C)=C(C(=O)OC(=O)C2=C(C)N=C(C)/C(=C(/O)OC)[C@@H]2c2cccc([N+](=O)[O-])c2)[C@H]1c1cccc([N+](=O)[O-])c1 169721433 RVZXDTKQBCOHBU-LXFVTKKKSA-N 646.609 5.142 50 1 KKGF O=C(CCN1CCC(N2CCCCC2)CC1)Nc1cccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)c1 221758553 DPIUEIVOTJSIRL-UHFFFAOYSA-N 589.612 5.894 50 1 KKGF CO[C@@H]1O[C@H](CBr)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1 256015726 ZJEJBLWGAZBXNH-SBDMBMNDSA-N 984.043 13.885 50 1 KKGF CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586938964 YHNMJFQJXIZNDT-CQSZACIVSA-N 632.880 6.091 50 1 KKGF CNc1cccc(-c2cccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 587236387 VSHQCEVTZCXPMW-UHFFFAOYSA-N 504.322 8.359 50 1 KKGF C[C@]1([C@H](Br)Cc2ccc(Cl)cc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587333840 NLVXHUVYTQYUOF-CQOQZXRMSA-N 507.758 6.448 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)([C@@]1(O)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]31C)CC2=O 587466262 MXLXUTOGUSZCDU-XJWBEDNWSA-N 587.128 5.635 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1c(Cl)cc(C(F)(F)F)cc1Cl 587542689 AVSRVXFQCKQYGC-WIYYLYMNSA-N 548.138 6.970 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)c(F)c1F 587543999 DFRAYMKWPMXTDN-KKSFZXQISA-N 515.228 5.941 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@@H](O)C[C@@]32C)[nH]c2cccc(F)c12 587634523 IRBWQGNWCNTMHZ-LLAJOKFHSA-N 616.101 6.217 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)c(OC)c3)N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)cc1OC 962769579 SGNFLRYABDTIAU-NBYOPXRUSA-N 622.434 5.257 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCl)c1ccc(NC(=O)CC)cc1 962984901 GFKLHSSSWUAMQT-PMERELPUSA-N 569.485 5.846 50 1 KKGF CN1C(=O)C[C@H]2CN[C@]3(c4cccc1c42)[C@H]1C[C@H]2[C@@H]3[C@@]3(Cl)[C@H](Cl)[C@@]4(Cl)[C@@H]1[C@@H]2[C@]3(Cl)C4(Cl)Cl 963025070 JIYNFZOUAWYOKX-IBJCQTGESA-N 553.144 5.188 50 1 KKGF CC(C)(C)OC(=O)N1[C@H](C(=O)O)Cc2ncsc2[C@]1(CBr)c1ccc(Oc2ccccc2)cc1 963138716 IBWAWNPVXADSTC-CPJSRVTESA-N 545.455 5.820 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cc(F)cc(Br)c2)N1 963161854 WMILOLHLXYRNBD-HJIQQCSTSA-N 715.461 7.507 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cnc(Br)cn2)N1 963178929 XUAAXONSWDPCSP-QPQHGXMVSA-N 699.447 6.158 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@](CCBr)(c2ccc3c(c2)CCC3)N1C(C)=O 963315558 CPPRVPRHDRNUEG-IKTYWIPASA-N 806.732 6.007 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)[C@]4(CC[C@]5(CCC[C@@H]5CCO)C4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356300693 ORAGVSHRFNUSCK-OKNPPVIBSA-N 887.086 5.174 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](C2(c3ccccc3)CCCC2)SSC1 2356321241 ADDZEYWFGPEXIB-WOPWWUTRSA-N 630.876 8.265 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356365128 FXXXFEUNMISNMR-XXYXEUTGSA-N 899.267 6.909 50 1 KKGF C=C(C=O)C[C@@H]1C[C@H](O)[C@@H]2O[C@@H]3C[C@]4(C)O[C@@H]5C=CC[C@@H]6O[C@@H]7[C@H](C)C[C@@H]8O[C@]9(C)C[C@H](C)C[C@@H]%10OC(=O)C[C@@H]%10O[C@@H]9C[C@@H]8O[C@@H]7CC=CC[C@@H]6O[C@@H]5CCC[C@@H]4O[C@@H]3C[C@H]2O1 2356449437 MGVIMUPHKPHTKF-LAHHPTPQSA-N 867.086 5.951 50 1 KKGF C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@@H]1C[C@]12OC(C)(C)[C@@H](Cl)C[C@@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 2356593172 ZGBUZWCVDVGBIE-MPHBPTAYSA-N 569.953 7.100 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H]([C@H]3CC[C@@H](C[C@@H](C5)c5cc(O)ccc5-4)[C@@H](C)CCSS3)[C@H]2O)cc(OC)c1O 2356619329 BJYFBYIHRWOECL-WPHSDKJDSA-N 666.858 6.961 50 1 KKGF CN[C@H](O[C@@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1cccc(CO)c1 2356748390 BGGNTKRHHFGOTB-SLDFZSDASA-N 673.897 8.068 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4ccccc4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356769473 GIKXGJREXJIHPY-QPBQSTJWSA-N 915.320 10.143 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](CCOC)([C@H]2CCCC[C@H]2CNC)NCC2=C[C@H]1CCC2 2356771053 OLVVGKLGQCFKDE-WPCSVNDRSA-N 968.374 6.745 50 1 KKGF CC[C@@]12C#C[C@@H]3C=C4CCc5cc(O)c(O[C@@H]6C[C@H](Cc7ccc[nH]7)C7=CCNC(N)=C7CSSC[C@H](CO)[C@@H]6O)cc5[C@@H]4C[C@H](O)[C@@H]3[C@H](O)[C@@H](CC1)C[C@@H](NC[C@H](C)O)C2 2356833474 KGMDTIVNCKZRJK-GQMQFHLPSA-N 875.211 5.038 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H](N)C(=C2)[C@H]([C@]23CC4(CCCC4)C[C@@H]2C=Cc2cncn23)SSC1 2356874108 YSRYZXIQHORELR-PVLQBXGRSA-N 700.971 7.342 50 1 KKGF O=C(O)c1ccc2c(c1)[C@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 17414046 IZYGMLSUEPIQQQ-PNBSKESLSA-N 525.970 6.240 50 1 KKGF O=C(NNc1ccccc1)c1ccc(NC(=S)Nc2ccc(NC(=S)Nc3ccc(C(=O)NNc4ccccc4)cc3)cc2)cc1 27726978 MJAJTWQHNXTRQN-UHFFFAOYSA-N 646.802 6.818 50 1 KKGF CC(C)=CCC/C(C)=C/CC/C(=C/CO[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(C)CCCCCl)CC=C(C)C 28656260 AWDAFDZLUZUOKI-BRLSCUPQSA-N 585.122 9.536 50 1 KKGF O=C(CCl)Nc1cc(-c2ccccc2)c(-c2nnc3n2N=C(c2cc(F)c(Cl)cc2Cl)/C(=C/c2cccc([N+](=O)[O-])c2)S3)s1 28823795 QXJGNDDYFCSGJE-RMORIDSASA-N 685.977 8.604 50 1 KKGF CC(=O)Nc1ccc2cc3ccc(NC(=O)CCNC(=O)CCCC[C@H]4CCSS4)cc3nc2c1 71329953 WKGLCJLNIBOZQZ-QFIPXVFZSA-N 510.685 5.505 50 1 KKGF C[C@H]1CC=C[C@](C)([C@H]2C[C@@H]3Cc4cc(O)cc(c4)Cc4ccccc4[C@H]4CC[C@@H](SSC[C@H](C3)C2)[C@H]([C@H](C)O)C4)C1 85543507 DXWFVIDCVNKCBO-SSDVXQTESA-N 590.939 9.579 50 1 KKGF biogenic,in-vitro CN1/C(=C\C=C\C=C\C2=[N+](CCS(=O)(=O)O)c3ccc4c(S(=O)(=O)O)cc(S(=O)(=O)O)cc4c3C2(C)C)C(C)(C)c2cc(NC(=O)CI)ccc21 96077616 BCAVMKHYOGIYLL-UHFFFAOYSA-O 870.786 5.395 50 1 KKGF in-vitro COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CCC4)cc2c1 96907838 UVFLAFUIVYYDOU-SSEXGKCCSA-N 607.592 7.231 50 1 KKGF COC(=O)c1ccc(CO[C@@]2(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@H]2C)[C@]53OO4)cc1 140713344 PNDVIXRDIGWBLN-TWERCMQVSA-N 500.510 5.130 50 1 KKGF CNCCCc1ccccc1/C=C/C[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)[c-](-c5ccc(O)cc5)c[o+]c4c3)O[C@H](C(=O)O)[C@@H](O)[C@@H]2OCSSC[C@@H]1C1=C[CH+]N=C1 150344263 LHTQBKMCROBMLB-GXKAACPHSA-O 871.067 6.070 50 1 KKGF biogenic,in-vitro C=CCO/N=C(\C[C@@H]1O[C@H]2O[C@@]3(C)CC[C@H]4[C@@H](C)CC[C@@H]([C@H]1C)[C@]24OO3)[C@@H]1O[C@H]2O[C@]3(C)CC[C@H]4[C@@H](C)CC[C@H]([C@@H]1C)[C@@]24OO3 169616855 WGDOECSYODBCCA-YJOWKSNSSA-N 631.807 6.436 50 1 KKGF CCCCCCC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(CO[Si](C)(C)C(C)(C)C)CO1 195494277 NQQSROMDMOOYIC-ABCZBHHISA-N 675.984 6.429 50 1 KKGF CCOC(C)(C)[C@@H](Br)[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4[C@H](C(=O)C[C@@]4(C)O)C(C=O)=CC[C@@H]23)O1 231365026 JKIAYRLIGBUXCM-NBMDFJPFSA-N 525.524 5.020 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 256967107 SPJCRMJCFSJKDE-KSIKMRPSSA-N 644.812 10.466 50 1 KKGF CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)N[C@@H](Cc5c[nH]cn5)C(=O)NN)CC[C@]4(C)[C@H]3CC[C@]12C 299811746 HEIMOAMQOSNFRJ-NZUMWNCBSA-N 581.846 6.447 50 1 KKGF CC(=O)Oc1ccc(COP(=O)(OCc2ccc(OC(C)=O)cc2)O[C@@H]2[C@H]3O[C@H]4O[C@@H]([C@@H]3OCc3ccccc3)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]2O4)cc1 299869863 VMSVZEXKTAPHHR-XTGPXUDVSA-N 770.841 7.220 50 1 KKGF C[C@H](Br)[C@@]1(c2ccc(Br)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587320970 HTYLQPOZLVILOP-PWJBXEHMSA-N 520.192 6.332 50 1 KKGF C[C@H](Cl)C(=O)Oc1ccc([C@]2([C@H](C)Cl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cc1 587321835 FMVBEAJBUOADDT-AJERKUADSA-N 503.353 5.946 50 1 KKGF COc1cc2c3c(c1)O[C@@](c1ccc(C(C)(C)C)cc1)(c1c(NC(=O)CCl)sc4c1CCCC4)[C@@H](C2)C3=O 587451810 KVNRZYJIZGLWEK-WKRVVKTRSA-N 550.120 6.802 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(Cl)c(NC(=O)[C@H](C)Cl)cc21 587461000 VUGCNFLIDXWDKA-HJFSHJIFSA-N 524.400 6.017 50 1 KKGF O=C(CI)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504128 FWGYDFGILBUXOL-HHHXNRCGSA-N 571.842 6.501 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 587671804 BCPLJRYCIASAGG-MFLXSWDHSA-N 520.281 5.360 50 1 KKGF Cc1cc(C)c([C@]2(CBr)N[C@H](C)Cc3ccc(F)c(Br)c32)c(Br)c1 587674513 XJIMGPGGFWSDPY-BLVKFPJESA-N 520.078 6.140 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@](c2ccc(Cl)cc2)(c2oc3ccccc3c2CBr)N1C(=O)OCC1c2ccccc2-c2ccccc21 962476108 QUIDHSWMYLHHKE-UOSBZTQKSA-N 720.019 8.928 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@]2(c3cc(Br)ccc3C[C@@H]2Br)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963088408 CEYIUVHEKGJJAT-QNTLFUKKSA-N 679.452 8.316 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@@]1(c1ccc(OC)c(OC)c1)[C@H](Br)C(=O)c1ccc(OC)c(OC)c1 963242026 PBDWVPPNAWAUPX-UNYIENRVSA-N 582.535 6.268 50 1 KKGF CN(C)C(=O)c1cc2cnc(Nc3ccc(NC(=O)CCCCCN=C=S)cc3)nc2n1C1CCCC1 1857618631 KJCUJBGPECBWMR-UHFFFAOYSA-N 519.675 5.594 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](O)c1cc(O)c([C@H](CCCC)CCCC[C@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356328078 OALOPYYRKWCJGW-PXDUCWPSSA-N 663.336 10.311 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](C)O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356349842 OYSBCHXBOUIHCW-ILYCUOSOSA-N 881.174 8.619 50 1 KKGF CCCOc1c2c(c(CO)c3c1C(=C1CCC(=O)[C@H](c4ccc5[nH]ccc5c4)C1)C(C=O)=C(C(=O)OCC)O3)O[C@H](C(C)(C)O)C2 2356367977 HQUJXVBFAXHZBC-DWACAAAGSA-N 629.706 5.222 50 1 KKGF COc1cc([C@@H]2CSSC[C@H](c3cc[nH]c3)[C@H](C[C@@H]3C=CC=C[C@H]3C)[C@@H](OC(C)=O)CC(=O)C2)ccc1O 2356600525 OVJHSTQBRSXMIY-BRMOJXGISA-N 555.762 6.657 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@]2(C(=O)O[Si](C)(C)C)CC[C@H]1C 2356613751 XKHSFOSRVMEQJH-XHEJHMRISA-N 601.077 10.242 50 1 KKGF CC(=O)O[C@H]1C[C@@H]([C@@H]2CSSC[C@@]3(NC(=N)NCCCCO)CCC[C@@H](C3)Oc3cc(ccc3O)C2)O[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)C1 2356756962 HOBOJICLDBWJRK-BHQLKNCLSA-N 811.036 6.172 50 1 KKGF CN[C@@H]1CSSC[C@H]2C[C@@H]3CC[C@@H]4CC[C@@]5([C@H](O)[C@H]1C[C@@H]1[C@@H]6CC[C@H](O)[C@]7(O)O[C@H](C(=O)Oc8c(CO)[nH]c9ccc%10cc%11ccccc%11cc%10c89)[C@H](O[C@H]15)[C@]67O)[C@@]34c1ccc(O)cc12 2356773812 JIAJSTRUGRLNPQ-ZVLMJHFNSA-N 921.147 6.146 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356832406 IAXLBHHTSOMWGZ-HUGNUXNLSA-N 903.269 7.606 50 1 KKGF O=C(O)[C@@H]1O[C@H](Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)[C@]2(O)CNC[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)[C@H](c3cc[nH]c3)CSSCO[C@H]2[C@@H]1O 2356846347 ONBPDZPTHYWIMI-CSQISAINSA-N 889.061 7.432 50 1 KKGF C[C@@H](CC=C1C=C[C@@H](C)c2ccccc21)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(c3)OCC(=C3C=CC(O)=C[CH-]3)C4=O)O[C@H](C(=O)O)[C@H](O)[C@@H]2OCSSC[C@H]1C1=CCN=C1 2356871132 XXUTZIWBIJMVNS-BNMSHODTSA-N 854.036 6.408 50 1 KKGF CC1(C)CC[C@]2(C(=O)N3CCOCC3)CC[C@]3(C)[C@@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1 38145603 WFKRPCCDEBLXJC-OPXHZMSJSA-N 560.779 6.065 50 1 KKGF N#CSc1c(-c2ccc(-c3cc4ccccc4oc3=O)cc2)nc2sc(Cc3noc4ccccc34)nn12 43062708 ILIPNEUPOZGGHE-UHFFFAOYSA-N 533.594 6.536 50 1 KKGF C[C@H]1CCCC[C@H](CCCCCl)c2c(O)cc(cc2O)[C@H](O)[C@@H](C)CCCC[C@H](CCCC(Cl)Cl)c2c(O)cc(cc2O)[C@@H]1O 58591864 LHICTIBASFRESH-IULTZZOBSA-N 688.173 10.233 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)C(C)(C)c3ccccc3[N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC 82196707 NMYFNKLLVZCRID-FQEVSTJZSA-N 657.123 7.154 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(Nc1ccc(Cl)cc1)C(N)=C(C#N)[C@@H]2c1cc2cc(Cl)ccc2nc1Cl 84707737 NGXMBGUTPFVRJM-QHCPKHFHSA-N 538.866 6.958 50 1 KKGF CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cccs3)CC2)c(C(C)C)c1 100953235 KRIQBIPCLQRRNW-OYRHEFFESA-N 547.787 5.664 50 1 KKGF COC(=O)CNC(=O)[C@@H](CC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)N(CCC[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3)c1ccc([N+](=O)[O-])cc1 169299393 IPQMNRLCSNSYPW-INLNSTLXSA-N 870.050 7.120 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(/C)[C@H](Cl)[C@@H](C)/C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 169358474 YNMLUPLDAJOVTM-CAPLDWKKSA-N 605.212 5.778 50 1 KKGF O=Cc1cc(Br)cc(-c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)c1 586982697 OMOLPJWEARTJQQ-UHFFFAOYSA-N 506.088 7.225 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ncc[nH]c-3n2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190731 PXDDKPQFVZRLRS-VLOGZXIDSA-N 563.743 5.336 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc3ccc4cccc5ccc2c3c45)[C@@H]1c1ccc(F)cc1 587320992 HUEGVSIHZNZZCH-XLJNKUFUSA-N 551.411 8.078 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2ccccc2)(c2oc3ccccc3c2CBr)[C@@H]1c1ccc(F)cc1 587323750 SWMRSBDWNSPTEF-POURPWNDSA-N 543.388 7.475 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(-c3ccccn3)s2)[C@@H]1c1ccc(F)cc1 587378511 VYCPHVQSLKHKSO-NOZRDPDXSA-N 510.384 6.304 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c1C)CC2=O 587461227 RHTATRXZSGZOPX-PMERELPUSA-N 534.056 5.650 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CBr)c1ccc(C(F)(F)F)cc1C(F)(F)F 587550143 SWXFQZKIGIYQDM-NQIIRXRSSA-N 547.245 6.682 50 1 KKGF COc1ccc(CCn2c(C)cc([C@@]3(CCl)N[C@@H](C)Cc4cc(Br)c(F)cc43)c2C)cc1OC 587688200 JQVYEAIVFAXSNV-RKOGDMNLSA-N 549.912 6.283 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(C=O)=COc1c(CSc3ncccn3)cc(Cl)cc12 587848475 WLZXXZMFHMVLGA-YEBMWUKDSA-N 546.849 5.577 50 1 KKGF CC(C)(C)c1cc(/C=C(\C#N)c2nc(-c3c(-c4ccc(F)cc4)[nH]c4ccccc34)cs2)cc(C(C)(C)C)c1O 587922627 GERVQPZNYHGLKB-PXLXIMEGSA-N 549.715 9.462 50 1 KKGF COc1ccc2c(c1OC)[C@@](c1ccc(C(C)(C)C)cc1)([C@@H](C)Cl)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962679003 NBZSHUZXTLRBOH-QTEAWJPNSA-N 560.056 7.590 50 1 KKGF FC(F)(F)c1cccc2c1[C@](CI)(c1c[nH]c3ccccc13)NCC21CCOCC1 962954415 JFWUIFLMDDRQGG-QFIPXVFZSA-N 526.340 5.517 50 1 KKGF Fc1cccc2c1[C@@](CBr)(c1ccc(I)c(F)c1F)N1CCC[C@H]1C2 963113238 QFQDEZFWUQIOGD-HXPMCKFVSA-N 522.146 5.368 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@H](c3c(C)nn(-c4ccccc4)c3Oc3cccc(F)c3)C3=C2CC(C)(C)CC3=O)cc1 1911575144 YNWVANZPKFYHMT-WJOKGBTCSA-N 604.686 6.884 50 1 KKGF Cc1nn(-c2ccccc2)c(Oc2ccccc2F)c1[C@@H]1C(C#N)=C(N)N(Nc2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 1911586807 AFWPLXSFAMEOAX-PMERELPUSA-N 653.556 7.638 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSSC[C@@]13C[C@H](O)[C@](O)(CO)C[C@]1(C)[C@H]1C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@@H]5CC[C@](O)(C1=CC3=O)[C@@]45CCc1cc(O)cc2c1 2356370532 BRXAENSLCPKZDS-ALGVBNEFSA-N 978.368 7.552 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@](Cc3ccccc3)(CC1=O)C[C@H](NC(=N)N)CSSCCCCCC[C@@H](O)C[C@@H](OC(C)=O)CC2 2356372654 JSLKSBPTICQBCD-GHFJTSGJSA-N 700.968 5.565 50 1 KKGF COc1cccc(CCc2cc(O)c(-c3c(O)cc([C@@H]4OO[C@H]4c4cccc(OC)c4)cc3OC)c(OC)c2)c1 2356374745 DTEMQMGQWQAFOF-ACHIHNKUSA-N 544.600 6.329 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@@H](C[C@@H]1O)[C@H](O[C@@H]1N[C@@H](CCC3(O)CCCCC3)CC[C@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356448750 NNFNEBPSFBHKPS-JQIHEFTCSA-N 971.292 9.514 50 1 KKGF CC[C@@H]1C=C[C@]2(c3cc[nH]c3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@@H](OC(C)=O)[C@@H]2C1 2356487390 ZHDVLZJLBGWCMY-YFSDDCBUSA-N 529.724 6.029 50 1 KKGF C=C(C=CC=C(COCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)C1 2356656021 DUQLAWUGWNZQMW-UFTDQOPHSA-N 779.072 5.242 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@H](O)C2CCCCC2)C1 2356825003 HAQZPBYPEMRSBD-AGEBREGXSA-N 917.292 6.208 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@H]3NCC[C@@](c4cccc(O)c4)(SSC1)C3=C2 2356864840 WADXRHCCYOHMGC-WLDISPQGSA-N 606.810 6.020 50 1 KKGF c1cncc(CNCCCCCCNCCSSCCNCCCCCCNCc2cccnc2)c1 29395435 HKRGZDCRHJJAEA-UHFFFAOYSA-N 532.868 5.037 50 1 KKGF COc1ccc(NC(=O)Nc2ccc(N(CCCl)CCCl)cc2)cc1Nc1c2ccccc2nc2ccccc12 49888911 NQRGEBMUMZLMLO-UHFFFAOYSA-N 574.512 8.068 50 1 KKGF COc1ccccc1CNCCCCCCNCCCCCCNCCSSCCNCCCCCCNCCCCCCNCc1ccccc1OC 95546507 YPTJUFBNXWROQH-UHFFFAOYSA-N 789.298 8.565 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@@H](CC2)C[C@H]2[C@@H]3CC[C@@]5(C6=C3[C@H](CN3C(=O)C=CC3=O)c3ccnc7c3C=C[C@@H](N7)SS[C@H](O)[C@@H](C3CCC(CCCO)CC3)C/C=C\5OC6=O)[C@@H]42)CCCC1 150344050 MXXQLTYCWXKNPY-KXXTVREESA-N 932.218 9.425 50 1 KKGF biogenic,in-vitro CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@H]2CCC[C@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@]3(CCCC34CCCC4)SSCC3(CCCC[C@H](O)C1)CCCC3)CC2=O 150348666 RPHSRSJIAAZSJX-GQQDCJNYSA-N 957.361 9.771 50 1 KKGF biogenic,in-vitro C[C@@H]1[C@H](C[C@@H](C[C@@H]2O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@H](C)CC[C@H]([C@@H]2C)[C@@]35OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 254133795 CRSJHIRCVZDTHB-INYHNPJQSA-N 832.066 7.556 50 1 KKGF CC(=O)OCCC1=C(C)N(C=O)CCCCCCCCCCCCN(C=O)C(C)=C(CCOC(C)=O)SS1 299817030 YIMGKWDGPUQNDH-UHFFFAOYSA-N 570.818 6.569 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@]1(C)O[C@@H]1[C@@H](C)[C@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(\C)C2 299842984 LTLNAIFGVAUBEJ-YFJUFKRISA-N 826.475 6.085 50 1 KKGF Cc1nc([C@H](C)Cn2nc(C(F)(F)F)cc2C2CC2)sc1-c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587118425 NITXQHOCVOKKLL-SNVBAGLBSA-N 557.536 8.549 50 1 KKGF O=C(CCl)Nc1cc2c(cc1Cl)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1C2=O 587546392 WJLRBENBMSODCY-ABYGYWHVSA-N 546.362 5.673 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)([C@H]2CCCN(C(=O)OC(C)(C)C)C2)N1 587671807 BCPLJRYCIASAGG-VWVPQACVSA-N 520.281 5.360 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C(=O)c1cc(NC(=O)[C@@H](C)Cl)c(Cl)cc12 587688306 KYZHLFVRDFTVQI-DFMVQKSTSA-N 562.266 6.178 50 1 KKGF CN(C(=O)NC(=O)c1ccc(C(F)(F)F)cc1)c1nc(C(F)(F)F)c(C(=O)N/N=C/c2cccc(C(F)(F)F)c2)s1 653899234 TUEAEGWLVKYPGN-AOJZPQQRSA-N 611.446 5.950 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)[C@@]5(NCCc6nc7ccccn7c65)C(C#N)=C[C@]34C)[C@]1(C)CC2 962988096 WTVNVIDLTOGFRW-JTEFVACYSA-N 648.892 7.499 50 1 KKGF C[C@@H](Cl)C(=O)Nc1cccc2c1[C@@]1(c3ccccc3C2=O)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963066039 GFNPSHDAUGHOBF-JSKJLDHNSA-N 644.124 5.567 50 1 KKGF C[C@H](Cl)C(=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1[C@@]21c2cccc(Br)c2CCN1C 963280086 MAULESKYKXPOCV-RXBISOJRSA-N 544.276 5.993 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@]2(C(C(=O)O)=NN(c3cccc(Cl)c3)C(=O)[C@@H]2I)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381206 RLPVUJUEDXZIBO-ABCZBHHISA-N 791.982 5.881 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](C)(c2ccccc2NC(=O)[C@H](C)Cl)N1C(=O)OCC1c2ccccc2-c2ccccc21 963381363 VZWTWERJSXFPAG-QJBAMXBNSA-N 625.121 6.570 50 1 KKGF N#Cc1c[nH]c2cc(OC[C@@H](O)CO)c(NC(=O)CC3CSSC3)cc2c1=Nc1ccc(OCc2cccc(F)c2)c(Cl)c1 1911583288 UVWRRZRGHPHHLL-QHCPKHFHSA-N 655.173 5.715 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@H]1CC=C(C)CN[C@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356351949 IYCKWDNFUIJRPS-JRTFXRDNSA-N 869.241 7.549 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@H](C)Cc2cccc(c2)C1 2356359583 NZBOHSUFZFKXCP-MJWKCQQQSA-N 719.020 5.559 50 1 KKGF C=C(C=CC=C(COC[C@H](O)CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356372866 NWRZXJSNLUPRIE-RBLIPPTMSA-N 935.300 7.523 50 1 KKGF COC(=O)[C@@H]1[C@@H]2[C@](C)(C(=O)OC)[C@H](O[Si](C)(C)C)CC[C@]2(C(=O)OC)[C@@H]2CC[C@H]3C[C@@]12C[C@@]3(C)O[Si](C)(C)C 2356384715 WKDQMFWJXLOQRE-AYCIQSTBSA-N 582.883 5.175 50 1 KKGF CC1=CC[C@H](Br)[C@]2(C)CC[C@H](Br)[C@](C)(O)CC[C@@H](C(C)(C)Br)OC(=O)c3ccc(O)c(c3)C[C@@H]12 2356531429 YWILZCJCOZQWNP-KLKSGHDWSA-N 665.301 7.458 50 1 KKGF COC[C@H]([C@H](O)[C@H](O)C(=O)NCC[C@H](C)c1nc(C=CC[C@@H]2O[C@]3(C[C@H](O)[C@@H]2C)O[C@H]([C@H](C)C[C@H](C)[C@H](C)[C@H](C)[C@H](C)C=C(C)C(C)=CC=CC(C)=CC#N)[C@@H](OP(=O)(O)O)C3(C)C)co1)N(C)C 2356695350 DDLAOQXXRIYRDI-RWATYEOOSA-N 989.242 7.860 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CNC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@@]12Cc1cc3cc(C4([C@H](CO)CCO)CCCC4)c(=O)oc3cc1O2 2356834980 HOFXBTVUUVINSS-LTFNPANYSA-N 846.105 5.177 50 1 KKGF CC(=O)OC[C@@H]1c2ccc3c4c2O[C@H]1c1c2c(c(O)c(CNCCCO)c1CC#CC1=C(C=C[C@H](N)N1)C[C@H]1CC[C@@]4(Cc4cc(O)cc(OCO)c4-3)C1)O[C@H]1CSSC[C@H]3CCC[C@@H](C3)N[C@@H]1C=C2 2356874445 YWEONRRIFMLJRJ-OWHXYWSMSA-N 989.270 7.274 50 1 KKGF O=C1[C@@H](Cl)[C@]2(CC(/C=C/c3ccccc3Cl)=NN2c2cccc(S(=O)(=O)O)c2)N1c1nc2ccccc2s1 6009716 YHXJVMSHLXOLLX-NDTKEOHJSA-N 585.494 5.826 50 1 KKGF CCCCCC[C@@H](NC(=O)c1ccccc1)C(C)(C)C(=O)OC(=O)C(C)(C)[C@@H](CCCCCC)NC(=O)c1ccccc1 36176464 KJWGUGYELVNALG-LOYHVIPDSA-N 592.821 7.647 50 1 KKGF CC(C)(C)C(=O)NOc1cc2c(c3ccccc13)[C@H](CCl)CN2C(=O)c1cc2cc(NC(=O)c3cc4ccccc4[nH]3)ccc2[nH]1 72136403 UJLZDOJCPMZQAP-JOCHJYFZSA-N 634.136 7.494 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)N1C[C@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@@H]3CCl 82196813 WLPCNVCCIRKXNR-ZEQRLZLVSA-N 719.666 7.700 50 1 KKGF COc1cc2c(Oc3ccc(NC(=O)N/N=C/c4ccc(Cl)cc4)cc3F)ccnc2cc1OCCCN1CCCC1 96910892 MIDWLKAJHCTNLP-JEPNHJGPSA-N 592.071 6.849 50 1 KKGF Oc1ccc2c3c1O[C@H]1c4c(c5ccccc5n4Cc4ccccc4N=C=S)C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@@]314 100725136 JCQWJWBJYMMVMR-LEGYJCIVSA-N 561.707 5.829 50 1 KKGF CC(C)c1cc(C(C)C)c(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)NNC(=O)c3cc4ccccc4s3)CC2)c(C(C)C)c1 100949589 DLDHYELLPAFYID-ZRZAMGCNSA-N 597.847 6.817 50 1 KKGF C=C(/C=C/C=C(/CO)[C@H]1CC[C@@]2([C@H](CCCO)/C(=C(/C=O)C3CCCCC3)CC[C@@]2(C)O)[C@@H]1O)CCC=C(C)C 103525746 SQJUXKPEEVKRID-RXLZCVGOSA-N 554.812 6.531 50 1 KKGF biogenic,in-vitro CC(C)(O)[C@H](O)CC[C@](C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@H]3O[C@@H]([C@]4(C)CC[C@@H](Br)C(C)(C)O4)CC[C@]3(C)O2)O1 144793704 LDQVWFLDLPYOLQ-DVCHKUPASA-N 605.651 5.184 50 1 KKGF N#C/C(C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1)=C(\Nc1ccccc1)SCC(=O)c1cc2ccccc2oc1=O 150609620 NUFUZUGZRPSYOB-KRUMMXJUSA-N 632.679 6.425 50 1 KKGF CCCCCCC[C@@H](Cl)[C@H](CC[C@H](Cl)CCCCCCCCCCOS(=O)(=O)O)OS(=O)(=O)O 169621807 QQYZBYZNIRPGDE-VSKRKVRLSA-N 571.626 6.860 50 1 KKGF O=S(=O)(CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)c1ccc2c(c1)CCC2 586920862 SLVYJMLZCWPQAX-UHFFFAOYSA-N 531.366 6.488 50 1 KKGF COc1ccc([C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)c2ccc(OCc3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2)c(OC)c1 587219067 LPQPBKSHNUHSNU-BHVANESWSA-N 816.643 11.207 50 1 KKGF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2C(=O)c2cc(NC(=O)[C@@H](C)Cl)c(Cl)cc21 587458493 JVBMWCHCQDVTPN-GMYLUUGSSA-N 524.400 6.017 50 1 KKGF CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@]1(CCl)CC(=O)c2ccc3c(c2O1)CCCC3 587497996 LRZDLBVFEXDFLZ-MFUOSOHNSA-N 674.238 5.693 50 1 KKGF O=C1C[C@](c2ccccc2)([C@H](Br)[C@@H](Br)c2ccccc2)Oc2c1ccc1c2CCCC1 587498375 GTKJXGMWYGGUPS-OIKPOIBNSA-N 540.295 7.326 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(Br)cc1 587683606 UYNIHJCGMTZFEZ-ZLOXQWCVSA-N 540.702 6.775 50 1 KKGF Cc1cc([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)(C)C)cc1 587689873 XMJHYEACXHQISA-RKOGDMNLSA-N 517.914 7.310 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)c4c(ccc(OC)c4OC)CCN3C(=O)c3ccc(C(F)(F)F)cc3)c[nH]c12 962679745 SLRHHSLNUXDNBL-QWOOXDRHSA-N 633.110 8.689 50 1 KKGF CCCCCCCCc1ccc2c(c1)CC[C@H](Br)[C@@]21N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963171358 JKJIODIQGYRQHL-OHSXHVKISA-N 586.920 7.814 50 1 KKGF CCN(CC)S(=O)(=O)c1ccc([C@]2(CBr)c3ccoc3C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963194254 XWUHJNLYERELSS-BFGHFXMOSA-N 693.616 6.209 50 1 KKGF COc1ccc2c(c1)[C@@]1(C=CC3=C(c4cc(NC(=O)CI)ccc4C(=O)O)c4ccc(O)cc4OC3=C1)N(Cc1ccc(F)cc1)CC2 963304170 RLARMBYMYIRWRI-LHEWISCISA-N 756.568 7.213 50 1 KKGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]2(CBr)c1cc(F)ccc1Cl 963857068 XSPFBTDYDLOJFO-MZNJEOGPSA-N 526.830 6.063 50 1 KKGF Cc1ccc(C(c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(F)c(Br)c4)cc23)c2c[nH]c3ccc(C(=O)N/N=C/c4ccc(F)c(Br)c4)cc23)cc1 1857637630 JZBYYGGLNOTWLD-ILMCGJENSA-N 822.508 9.469 50 1 KKGF CC(=O)N1N=C(c2ccc(O[C@@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)cc2)C[C@H]1c1ccc(Br)cc1 1857653640 WZPZKYFXVZRHOF-WDDDNYEUSA-N 625.560 6.734 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)OC[C@H]3C[C@H]4[C@@H]5CCc6cc(OCc7ccccc7)ccc6[C@H]5CC[C@]4(C)[C@H]3O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857655569 DVNLQXUUZJULDK-OMVJJHKLSA-N 700.913 7.893 50 1 KKGF N=c1[nH]ccc2c1CSSC[C@H](CO)[C@H](O)[C@H](Oc1cc([C@@H]3C=C[C@@H]4C#C[C@H](CCO)CCCC[C@H](O)[C@@H]4[C@H](O)C3)ccc1O)C[C@H]2Cc1ccc[nH]1 2356291987 BXMLARMRNAABKI-MTSXKLFLSA-N 764.023 5.130 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4CCC[C@@]5(C[C@@H](CCN5)Oc5cc(c(C(O)O)cc5O)C[C@@H]41)[C@H]1CC[C@@H](CN1)SSC[C@]1(CC4(CCCC4)CCC14CCCC4)NC(=N)N[C@H]2C=CC[C@H]3O 2356349758 NPPOSRYXHOGZBE-JZTDXLNFSA-N 990.387 7.033 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356362209 CRDTWDVBXHKDJW-DVNIHWKTSA-N 927.321 8.239 50 1 KKGF CNCc1cc(O)cc([C@H](Cc2ccc(O)c3c2CSSC[C@](C)(O)CNCO3)C(=O)C[C@H](O)[C@@H](Cc2cc[nH]c2)Cc2ccc(O)c(OC)c2Cc2cccc3ccccc23)c1 2356369189 WAOKXHBQRKUUDK-UEHALVBKSA-N 892.153 7.923 50 1 KKGF CC(C)CCC[C@]12C[C@H](O)[C@H](O)C[C@@H]1C(=O)C=C1[C@@H]2[C@H](CNC(=N)N)C[C@]2(C)[C@H]3C[C@@H](CSSC[C@H](n4ccnc4)CC(C)(C)C4=C5CCCC6(CCCC6)[C@@H]5C5=C6[C@H](CCC5)C[C@H]3[C@@H](O)[C@H]64)[C@@]12O 2356407875 NODWWAPGCKGBPS-WIARVHRQSA-N 984.471 9.946 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc4c6c(ccc(c56)[C@@H](SSCCC[C@@H]2O)[C@@H]3O)[C@H]2CC[C@@H](CO)[C@H]4C2)cc(Cc2cccc(O)c2)c1O 2356492920 FIMRPGAEKKFWPX-YAAZMMIDSA-N 901.112 10.052 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@@]34C(=C(C)C=O)[C@@H](C=C[C@@H]3CCO)C[C@](O)(CCNC)[C@@]4(CC1)[C@@H]2O)[C@@H]1CC=C(C)CN[C@](C)(CCOC)Cc2cccc(c2)C1 2356582402 HDIMWZVZIYCEBP-NGXPXOGHSA-N 827.160 6.522 50 1 KKGF C[C@H](O)CCC[C@@H]1[C@H]2CC[C@]3(O)C[C@@]14C=CC(=O)CCc1ccc(O)c(c1)OCCc1ccc(O)c(c1)[C@@H]1CC(=O)c5cc[nH]c5CC#Cc5cc(C(N)N)c(cc51)CSSC[C@@]3(C2)C4 2356601497 XIQSIXDMTJCWDO-BDZMLJMDSA-N 916.219 8.708 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC[C@@H]51)[C@@H]3O)[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@]54C)[C@]21O 2356773516 BGBRALBNNYSAKD-XMJWTIFXSA-N 815.199 8.506 50 1 KKGF COc1cc2cc(c1O)CN1C[C@@H](CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@H](O)C[C@@H](OC(C)=O)CC2)CC1=O 2356779657 VUBROGPTPRHSHX-RFSHUQOCSA-N 714.995 6.031 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356810555 AYRKPYUVSHQZIF-MJJKKMFBSA-N 965.292 7.912 50 1 KKGF O=C[C@@H]1CCC[C@]12C[C@@H]1CCC3=C4C5=C(NC3)N[C@H]3CC5=C[C@@H]2[C@]41C[C@]1(O)[C@H](O)[C@H](Oc2cccc4c2C(=O)[C@@]2(C(O)=CC(Cc5cccc(CO)c5)=C[C@@H]2C4=O)[C@H](CCCO)SS3)O[C@@H](CO)[C@H]1O 2356817724 DMWUXONYXRVJTH-FESZSMNBSA-N 993.210 5.033 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C3=C5C(=O)O6)N7)[C@H]42)CCCC1 2356835066 KNYCWEQTFFUEEF-OANUWTGCSA-N 934.234 8.324 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccccc1F)SS/C(=N/c1ccccc1F)OCCN1C(=O)c2ccccc2C1=O 49841243 LCHWHZKEXKULHG-YEQLPCBTSA-N 686.718 6.647 50 1 KKGF CC(=S)NNC(=O)c1ccc(-n2c(-c3ccccc3)nc3c(Br)cc(Br)cc3c2=O)cc1 58506703 DHOHHLVNDVGBOM-UHFFFAOYSA-N 572.282 5.159 50 1 KKGF CNCc1cccc([C@H]2CC[C@H]3SSCC[C@@]4(C)[C@H]5CC6=C(CCC[C@]37N=C(N)NC[C@H]27)C(=O)C[C@]64[C@H](CCCO)[C@@H](CO)C5)c1 85549254 AHDBGEZCBGQJDZ-LFFNYRGESA-N 666.998 5.563 50 1 KKGF biogenic,in-vitro CO[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C/C#N)[C@H]1O[C@@]2(C[C@@H](O)[C@H](C)[C@@H](C/C=C/c3coc([C@@H](C)CCNC(=O)CO)n3)O2)C(C)(C)[C@H]1OP(=O)(O)O 169687718 VIFOVINDEXWVQN-WBFYSEOSSA-N 878.010 5.383 50 1 KKGF CCCCCC[C@@H](Cl)C[C@@H](OS(=O)(=O)O)[C@@H](Cl)C[C@@H](Cl)CCCCCCCCC(Cl)(Cl)COS(=O)(=O)O 231928814 OWZXJAFOLNMCCO-JSXRDJHFSA-N 674.961 7.861 50 1 KKGF O=C1C=C(SSC2=CC(=O)C(Br)=C[C@@]23CCNC2=C3c3nccc4c[nH]c(c34)C2=O)[C@]2(C=CNC3=C2C2=NCCc4c[nH]c(c42)C3=O)C=C1Br 238781145 HDDXRVGNFMMKJS-ZPGRZCPFSA-N 826.552 6.249 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(CO)C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 253689759 PIHGTXTYUJXWMZ-JVFPFHNXSA-N 606.797 5.876 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=Cc5nc6ccc(O)c7c6c(c5[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)-c1ccccc1C7=O 586987050 YHEMZCCQYFBISA-BCEXWWPMSA-N 656.606 8.347 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054560 GGBHGMGSCLFBHB-DHDCSXOGSA-N 533.353 8.999 50 1 KKGF COc1ccc(-c2nnc(-c3ccc4nc(/C(C#N)=C\c5cc(C)n(-c6cccc(Cl)c6Cl)c5C)[nH]c4c3)o2)cc1 587056365 PMXZIVWSANZFCB-HMAPJEAMSA-N 581.463 8.067 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)C[C@@H](Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587257264 COIREOGUYLAQRR-WTEZFPHBSA-N 982.898 8.658 50 1 KKGF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)CC[C@@H]1O[C@]4(CC[C@H](C)[C@H]([C@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](OC)[C@H](OC(=O)C[C@@H](O)C5=C(C)C(=O)OC5=O)C(C)C)O4)CC[C@H]1C)[C@@H](C2)C3=O 587452573 FHVOBNJUSVNTFC-AVEZRHQOSA-N 927.138 6.411 50 1 KKGF CO[C@@H]([C@H](O)C[C@@]1([C@@H](C)[C@@H](O)CC[C@@H](C)[C@@H]2O[C@@]3(CC[C@@H]2C)CC[C@@H](C)[C@H](CC[C@H](C)C(C)=O)O3)N[C@@H](C)Cc2cc(Br)c(F)cc21)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C 587834354 QXHHFLAJZWVVIN-OIXBMDINSA-N 981.047 7.548 50 1 KKGF CCCC[C@H](CC)COc1cc(CC#Cc2cc(Cl)ccc2OC)c(OC)cc1CBr 587898805 QPUYYSIBVQGNPJ-IBGZPJMESA-N 507.896 7.442 50 1 KKGF CN(C)CCSSCCNC(=O)[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@H]1c1cc2ccccc2o1 618017156 GXNGXDRHGRXTJT-RTBURBONSA-N 582.575 5.360 50 1 KKGF C[C@]1([C@@H](Br)[C@@H](Br)c2ccc(Cl)cc2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962903401 XAVFJXGYCLMSCX-DWRORGKVSA-N 505.609 5.193 50 1 KKGF C=C(OCCC[Si](OC)(OC)OC)[C@@]1(C)c2ccccc2CCN1C(=O)COc1cc(Cl)c(C=O)cc1OCC 962991936 VNPKJUUAZNIEKN-LJAQVGFWSA-N 592.161 5.029 50 1 KKGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1ccc(C)cc1)[C@H](Br)C(=O)c1ccc(C)cc1 963643505 ZYMUQQFNQMYGOY-DTHMXLAUSA-N 508.456 5.745 50 1 KKGF COc1cc2c(cc1OC)[C@](CCl)(C(C#N)=C1N(C)c3ccccc3N1C)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963804859 BEMNYBWAPVVLMK-MGBGTMOVSA-N 596.087 5.208 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2cc3ccc(F)cc3oc2=O)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963937214 DUPYYZQNCZMLQW-TXIAXNLYSA-N 744.705 5.708 50 1 KKGF O=C1c2ccccc2C(=O)c2c(O)c([C@H](c3ccc(C(F)(F)F)cc3)N(CCCl)CCCl)cc(O)c21 1857552418 VCQUKWNHAWUDJI-QFIPXVFZSA-N 538.349 5.761 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCCOC(=O)CCCC[C@H]4CCSS4)c4ccccc34)[C@H]21 1857636668 NVFGTRLNVBVSMG-LGGPFLRQSA-N 549.762 6.436 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSS[C@H](CCCO)[C@H]2C[C@@H]([C@H]3C[C@@H]4CCCC5=C4[C@@H](C1=C1CCCC4(CCCC4)[C@@H]51)[C@@H]3O)[C@]1(C)CC[C@@H]3C(=CC(=O)[C@@H]4C[C@H](O)[C@H](O)C[C@]34C)[C@]21O 2356352414 SQNKOVTXJGTJLZ-DDTKDZGNSA-N 901.333 9.572 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@@]34CC[C@@H]5[C@H](O)[C@H](O)C[C@@]6(CSSC[C@@H]7CCCC[C@@]78CCN(C8=O)c7cc(O)cc(c7)CC[C@@]27[C@@H]1CC[C@]7(O)C3=CC6=O)[C@]54C 2356365610 OSOJDQFSDGFHKG-IQRJAOIOSA-N 874.219 7.555 50 1 KKGF COC(=O)[C@@H]1[C@H]2[C@](C(=O)OC)(CC[C@@H](O[Si](C)(C)C)[C@@]2(C)C(=O)OC)[C@H]2CC[C@H]3C[C@]21C[C@@]3(C)O[Si](C)(C)C 2356384717 WKDQMFWJXLOQRE-BVVZMBMGSA-N 582.883 5.175 50 1 KKGF CCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]12C[C@@H](C=C(C)C=CC=C(C)CCC=C(C)C)O[C@H]2O 2356392317 YTKIDWSBNOYJSZ-VWMZTVTQSA-N 612.892 8.636 50 1 KKGF CC1=CC[C@H](Br)[C@]2(C)CC[C@H](Br)[C@@]3(C)CC[C@@H](OC(=O)c4ccc(O)c(c4)C[C@@H]12)C(C)(C)O3 2356474078 BVFIVKIJYQDATJ-SBVSZPIDSA-N 584.389 7.101 50 1 KKGF CCCCC[C@@H]1CN2C(=O)[C@]13[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]13C[C@H](O)[C@H](O)C[C@]1(C)[C@H]1CC[C@@]4(CCc5cc(O)cc2c5)[C@H]([C@](C)(O)[C@@H]2O[C@@H]2[C@H](C)C(C)C)CC[C@]4(O)C1=CC3=O 2356551634 MOJYGLPVUZPANX-HHVITLLASA-N 940.319 7.342 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14C[C@@H]5C[C@]67CCC[C@]6(C[C@@H]5[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4)C[C@](O)(CO)CC7 2356564647 WNKDLTHWOVDVNO-LVLFXRIUSA-N 998.321 8.850 50 1 KKGF CC1(C)O[C@](C)([C@@H]2CC[C@@]3(C)O[C@H]([C@@](C)(O)CC[C@@H](O)[C@@]4(C)CC[C@@H](C(C)(C)O)C4)CC[C@@H]3O2)CC[C@@H]1Br 2356564986 KIRZKILDCHMWNV-WWSHDJNMSA-N 603.679 6.052 50 1 KKGF C=C(CC[C@H](C(=O)O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@]1(C)CC=C1[C@@]23C=C[C@]2(OO3)C(C)(C)[C@@H](O)CC[C@]12C)C(C)C 2356652731 NWPSXIIQUKYLPR-YPJGSQDBSA-N 514.703 5.600 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2ccc(Oc3cccc(O)c3)c(OC)c2)CSSC[C@H]1c1cc[nH]c1 2356686281 ZEKFLLPOZYIVOM-DPNGWXEHSA-N 597.799 7.871 50 1 KKGF CC(=CC=CC=C[C@@H]1C(C)=C[C@H]2[C@H](CC[C@@H](C)[C@H]2O)[C@@H]2C(=O)OC(=O)C(C)=C3C[C@H](O)[C@H](C)C3=C21)C[C@H](C)C[C@@H](O)[C@@H](C)C(=O)O 2356737435 RPAJEXJBXAMICD-UWWQFRCFSA-N 636.826 5.856 50 1 KKGF C[C@@]12CCSSC[C@@]34C[C@@H](CSS[C@H](CO)c5ccc(CO)c(c5)C[C@@H]3CNC(=N)N4)[C@H]3CSSC[C@H](CCO)[C@H]4[C@@H](CO)C[C@H]1CC1=C3C(=O)C[C@]142 2356780329 SQUOMULSAIDJOA-FQERLNNXSA-N 838.287 6.344 50 1 KKGF COc1cc(O)cc2c1-c1ccc3c4c1[C@@]1(CC[C@@H](CC5=C(C#CCc6cc(O)c7c(c6[C@@H](O4)[C@@H]3COC(C)=O)C=C[C@@H]3N[C@H]4CCC[C@@H](CSS[C@H](Cc6ccccc6)[C@@H]3O7)C4)N[C@@H](N)C=C5)C1)C2 2356819462 FBTWBLUFDCMQDO-IUPBIPTFSA-N 976.274 10.093 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NC[C@H](Cc4ccccc4)[C@@](Cn4ccnc4)(SSC1)C3=C2 2356842306 MMWDDLWXXCSZLA-MFFONBEASA-N 684.928 6.523 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@H]1[C@H](C[C@@H](Sc3ccccc3[N+](=O)[O-])[C@H]1Cl)[C@@H](c1ccccc1[N+](=O)[O-])N2 17594810 INDBPULSIXDSCZ-RWMYKBRNSA-N 523.998 6.744 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@@]1(C)[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2 72190152 UEQOYRBFTMVXHZ-MIIXWNBDSA-N 519.726 6.769 50 1 KKGF investigational N#CC1=C(N)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)[C@H]1c1cc2ccccc2nc1Oc1ccc(C#N)cc1 96908492 FBMWWGCPMCFHNY-LJAQVGFWSA-N 577.566 7.222 50 1 KKGF CC(=O)Nc1ccc(/C=N\c2ccc(SSc3ccc(/N=C\c4ccc(NC(C)=O)cc4)cc3)cc2)cc1 100883990 POTDSBFJYXGIQR-CDSIFPFTSA-N 538.698 7.904 50 1 KKGF Cn1nc(-c2c(F)cccc2Cl)nc1-c1sc(-c2ccc(OC(F)(F)[C@@H](F)Br)cc2)cc1Cl 103204367 YCYBGBNKJQXOJT-HXUWFJFHSA-N 581.216 7.986 50 1 KKGF C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)(C)O)C[C@@H](OC(=O)CBr)C[C@H]1O 140401443 SLFLGLKEAANGNN-WRSDRRGJSA-N 537.579 6.651 50 1 KKGF in-vivo COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@@H]1CC[C@H](C[C@H](O)CSS1)[C@@H](O[C@H](NC1CCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 150347736 UKTXJMJUZMZBJU-FYMXPLAVSA-N 815.067 8.525 50 1 KKGF biogenic,in-vitro FC(F)(F)c1oc(-c2ccc(C(c3ccc(-c4nc(-c5cc[n+](CCCl)cc5)c(C(F)(F)F)o4)cc3)(C(F)(F)F)C(F)(F)F)cc2)nc1-c1cc[n+](CCCl)cc1 150565246 ITETVZJHCCOVEC-UHFFFAOYSA-N 855.507 10.832 50 1 KKGF CC(C)=CCC[C@H](C)[C@@H]1C2=C([C@@H]([C@@H](O)[C@H]3/C(C=O)=C\C/C=C(\C)C[C@H](O)[C@@H]3[C@@H](C)CCC=C(C)C)OC2=O)[C@@H]2C[C@@H]2[C@@H](C)C[C@@H]1O 255219370 IEWUYJSHCSXBOC-UKPPQCSXSA-N 636.914 7.446 50 1 KKGF Cc1cn([C@H]2C[C@H](n3nncc3-c3cccc4ccccc34)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)nc1O 473137040 WEXOYCKTKMKKCO-ICDZXHCJSA-N 533.705 5.220 50 1 KKGF Cc1cc(/C=C(\C#N)c2nc3cc(Br)c(F)c(F)c3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587057287 VAJLCSSDYZRENG-NTUHNPAUSA-N 522.180 7.382 50 1 KKGF O=C(O)C[C@H](Br)[C@]1(c2ccc(Cl)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323561 RTRQBJIPCAZWOA-SSPYTLHUSA-N 519.750 5.677 50 1 KKGF COC(=O)c1ccc(-n2c(C)cc([C@]3(CCl)Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c2C)cc1 587327570 QAKXKQVLWQIUTN-OFSOJUDTSA-N 533.983 6.219 50 1 KKGF CCc1cccc2c([C@]3([C@@H](Cl)c4ccccc4)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 587543311 KHCONVOAUNBTDU-JOYXZSCHSA-N 509.989 7.273 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1P(c1ccccc1)c1ccccc1 587607711 NLJTVPFDMHXILU-BHDXBOSCSA-N 502.506 5.853 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2ccc3c(c2)CCCN3C(=O)c2ccccc2)N1 587684040 JSLUBOMJEMMGMA-CBZJRKILSA-N 527.865 6.198 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)n1C[C@@H]1COc2ccccc2O1 587686142 BVLFQAISWYTDKD-CMWQGSDOSA-N 533.869 5.863 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)C(Br)=CC1=C(c3ccc(N=C=S)cc3C(=O)O)c3cc(Br)c(O)c(Br)c3OC1=C2Br 587846107 TZEMVSZPCYMDBZ-FDECTACXSA-N 919.053 9.774 50 1 KKGF CCCC[C@H](CC)COc1cc(CBr)c(OC)cc1CC#Cc1cc(Cl)ccc1OC 587898772 PXGQDZMFSKRQBK-IBGZPJMESA-N 507.896 7.442 50 1 KKGF CC(=O)c1c(C)[nH]c([C@@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c1C 962409697 WOVCAFNQELGQJL-LHXZUMEBSA-N 584.072 5.972 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CCCCCCl)(c2cccc(F)c2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963094597 LRPGCEGISWMEFC-SLPFEWDZSA-N 618.192 9.172 50 1 KKGF COCCOc1ccc(NC(=O)N(O)[C@H]2N(c3ccc(Cl)cc3)C(=O)N(CC(=O)N/N=C/C=C/c3ccc(C)o3)C2(C)C)cc1 1772643551 FOONOXQJJVQMEB-GKIBDTAGSA-N 639.109 5.352 50 1 KKGF CN(C)C(=O)c1cc2c[nH]c(=Nc3ccccc3NC(=O)CCCCCCCN=C=S)nc2n1C1CCCC1 1857601388 NJEXRTNDVNOSBU-UHFFFAOYSA-N 547.729 5.796 50 1 KKGF COc1ccccc1[C@@H]1C[C@H](c2ccccc2)c2cccc(P(=O)(c3ccccc3)c3ccccc3)c2N1 1857644855 APLOOFFUYHMUMX-JSOSNVBQSA-N 515.593 7.023 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(COC(=O)CCCBr)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857762351 DTZMHDQUKCOWOL-ULMQNXIHSA-N 591.715 8.723 50 1 KKGF CCn1cc(C(=O)N/N=C/c2ccc(OC)cc2)c2cc(-c3nc(CN4CCCCC4)cs3)ccc21 1911586707 PXICLJJVIPQMKO-MUFRIFMGSA-N 501.656 5.543 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(CCC[C@H](C)C6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OCO)c1O 2356351419 XAWNMPQKIHIXGV-VNLLYIBVSA-N 860.145 5.849 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SSCC[C@@H](C)CC[C@H]3Cc4c(c(OCCO)cc5c4[C@H]1[C@H](O)[C@H]2O5)-c1ccc(O)cc13 2356357248 REDIEUKDJJCTFM-JYSLUIJUSA-N 676.853 6.501 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@]5(CO)C=C[C@@H]6CC[C@H](O)[C@]67CN(C(=O)[C@@]357)c3cc(O)cc(c3)CC[C@@]23[C@H]1CC[C@]43O 2356537553 WSPDSDQYYDWCTM-ANKYZTTRSA-N 988.319 6.009 50 1 KKGF CCCCC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)[C@@H]3CC[C@@H]2C=C[C@H]3SSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@@H](O)OC)C3)c2O)C12CCCC2 2356752742 NFLIPYAIKRWUHH-RWBVRXTDSA-N 891.254 9.266 50 1 KKGF CC[C@@H]1C#C[C@@H]2C=C3CCc4cc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)cc4[C@@H]3C[C@H](O)[C@@H]2[C@H](O)CC[C@@H](NC[C@@H](O)C2CCCCC2)C1 2356825005 HAQZPBYPEMRSBD-YURPUZFISA-N 917.292 6.208 50 1 KKGF CCCCCc1cccc([C@@H]2[C@@H]3C[C@@H]4[C@@H]5C(=CCCN4[C@H]4[C@H]3C[C@]23CC[C@H](CSSCC2=CC[C@H](C)C[C@H]2[C@H]4O)C3)OC(=C2OC(=O)C(C)=C2OC)[C@H]5C)c1 2356828141 ITAOHCLHJOIXBJ-YJQHXIIESA-N 786.157 10.356 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](c6cc[nH]c6)[C@H]([C@@H]6CC#CCC[C@H]7C=CC(=CC6)c6ccccc67)CNC[C@]35O)[C@H]4O)ccc2c(=O)c1-c1ccc(O)cc1 2356861099 UFIRLCBCYHRLDC-YXTXIDMRSA-N 984.118 6.410 50 1 KKGF CCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 58541365 LPFHBFRCNVKHML-NKUAUSKGSA-N 617.868 7.642 50 1 KKGF CCC/C=C1\OC(=O)C2=C1CC[C@H]1[C@@H]3CC[C@@]4(C5=C3[C@@H](CN3C(=O)C=CC3=O)c3ccnc(c3)NCSSC[C@H](C3CCCCC3)C/C=C/4OC5=O)[C@@H]21 150344216 ISUZQWDVJDGTAT-NEMRPKDESA-N 753.987 8.152 50 1 KKGF biogenic,in-vitro CC(/C=C/[C@@H]1C[C@](O)(CCl)CC(C)(C)O1)=C\C[C@H]1CC[C@H](NC(=O)/C=C\[C@H](C)OC(=O)N2CCN(C3CCCCCC3)CC2)CC1 164244933 DBALQBCCAPMWCQ-MCTNJXOGSA-N 662.356 6.903 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC[C@H]4C/C(=N/Oc5ccc([N+](=O)[O-])cc5)[C@H](Br)C[C@@]43C)[C@@H]1CC[C@@H]2O 169302494 PCPWXBOVEMGXRD-PROZPENESA-N 505.453 6.107 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@H](C)CCCC)CC[C@@H]2C(=O)NCCNC(=O)[C@H]1CC[C@@H](OC(=O)/C(C)=C/[C@H](C)CCCC)C2=CC(=O)[C@H](C(=C)C=O)C[C@@]21C 169369934 GCAGMRISHGRVDH-QBSLSRHBSA-N 885.152 7.961 50 1 KKGF CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C(C)C)C(N)=O 194884672 YOISDXAVGVRXOR-MCGYGMFZSA-N 731.181 6.864 50 1 KKGF CCNC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC5(CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C)OOC1(CCC(CC)CC1)OO5 206668115 FVECUMDDKYYWQG-FXUNCNSVSA-N 617.868 7.642 50 1 KKGF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)cc1 587067454 ASOCCINRHUPABB-UHFFFAOYSA-N 539.751 8.463 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c4cccnc4c4ncccc4c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191833 YNYIWTJWQSDFGD-BSZOUFEQSA-N 663.863 7.691 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CBr)(c1ccc(OC(F)F)cc1OC(F)F)CC2=O 587467278 RYBBYYREMCVOQE-OAQYLSRUSA-N 507.274 5.803 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(Br)cc2)([C@H](Cl)C(=O)c2ccc(Br)cc2)N1 587680561 OWFNAALTGBBFNV-SHAMJUJCSA-N 630.577 7.381 50 1 KKGF CC1(C)[C@@H](Oc2ccc(O)n2-c2ccnc(CCl)n2)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)O)CC[C@]3(C)CC[C@]21C 587941964 ZYHLZSGKLSBELU-XTCUOQFNSA-N 678.314 8.524 50 1 KKGF O=C(O)[C@H]1Cc2cccc(OC(F)(F)F)c2[C@](CBr)(c2ccc(C(F)(F)F)c(F)c2F)N1 962640488 WJGGZGDCCUHJQO-DIFFPNOSSA-N 534.197 5.120 50 1 KKGF Cc1cc([C@@]2(CCl)c3cc(F)c(F)cc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccccc1Br 963045402 ZKWFQCBUELAIEV-UXMGRTHOSA-N 732.021 8.878 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](C)(c2oc3ccccc3c2NC(=O)[C@@H](C)Cl)N1 963159809 HLTZKNQDNHSRJR-QTYDEBQGSA-N 685.224 7.542 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](C)([C@H](C)Cl)N1 963160423 JFAUVMCLSVJNTN-UEACAHGMSA-N 526.080 5.809 50 1 KKGF Nc1ccc(S(F)(F)(F)(F)F)cc1[C@@]1(c2ccccc2)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186768 LFVFTPIIEBCOBQ-PGRDOPGGSA-N 572.905 7.489 50 1 KKGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2ccc(N3CCOCC3)cc2)(C(Br)Br)N1 963193624 KKBQGOUGCASGSZ-RXVVDRJESA-N 612.668 5.154 50 1 KKGF COc1ccc([C@@H]2C(C#N)=C(n3cccc3)OC3=C2[C@]2(CCC3)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1 963217145 ORGNLWJJIDJOKZ-LJTPKHSSSA-N 821.799 8.119 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963354384 XETRJPVMBJNJCD-VQIIKMDRSA-N 743.481 9.235 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC3(CCCCC3)[C@@H]3[C@H](CC)CN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@@]12Cc1cc3ccc(=O)oc3cc1O2 2356295479 ZSDQGZXIJCXAIX-PXGQFBPNSA-N 741.976 7.534 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1O 2356323136 IUDYVLGONCYFPN-LXVNLCQJSA-N 943.447 11.939 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSCC6(CCCCC6)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@H]41 2356449267 HEKMSWFVVODRDD-WQWBYWJVSA-N 866.204 5.059 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@@H](C)O)SSCNc7cc(ccn7)CC4=C5C(=O)O6)[C@H]32)CCCC1 2356649591 QXKMNBCFGXSGMG-HIQNMYLLSA-N 772.090 9.153 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SSCC[C@H](C)CC[C@H]5Cc6c(c(OCCO)cc(c6[C@H]4[C@H]2O)O3)-c2ccc(O)cc25)c1O 2356708162 GEWBSZYKQBTSJN-NMKINAGWSA-N 738.965 8.011 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNC1=CC(=CCN1)C1(CCCC1)C[C@@]1(O)[C@H](O)[C@H](CO)O[C@@H](O3)[C@@H]1O 2356811707 BQEHTGMZURRFMY-CKNIVWMBSA-N 917.156 5.442 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NCSSC[C@H](CCc3ccccc3)CCCC[C@@H](O)C1)CC2=O 2356832405 IAXLBHHTSOMWGZ-GZJZWMJUSA-N 903.269 7.606 50 1 KKGF CC(=O)Nc1ccc2c3c(cc(O)c2c1)N(C(=O)CCCCCCC(=O)N1C[C@@H](CCl)c2c1cc(O)c1cc(NC(C)=O)ccc21)C[C@H]3CCl 82196815 WLPCNVCCIRKXNR-DNQXCXABSA-N 719.666 7.700 50 1 KKGF O=C(N/N=C\CCc1ccccc1)c1cc(/C=N/Nc2cccc(Br)c2)nc2ccccc12 95556392 OKVSLFMBSZAJHP-YWZJQWHSSA-N 500.400 5.792 50 1 KKGF O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)c4ccc(NC(=O)c5cccs5)cc4)cc3)cc2)cc1)c1cccs1 150596942 UQDCDXVFVGFOLQ-UHFFFAOYSA-N 987.222 11.284 50 1 KKGF CCCCCCCCCCCCCC(=O)O[C@H](c1ccccc1)c1nc([C@H](CCC)O[Si](C)(C)C(C)(C)C)co1 195350468 DFROLEZYMZMYDM-XDFJSJKPSA-N 571.919 10.871 50 1 KKGF O=S(=O)(O)c1cccc([P+](Cc2ccc(Cc3ccc(C[P+](c4ccccc4)(c4ccccc4)c4cccc(S(=O)(=O)O)c4)cc3)cc2)(c2ccccc2)c2ccccc2)c1 195409615 DYTGWHOEWIPFKN-UHFFFAOYSA-P 878.989 8.759 50 1 KKGF COC(=O)[C@@H]1CS[C@H]([C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)N1 238787663 ASKCMCAJPPSBDL-PAXOCGFSSA-N 658.244 5.922 50 1 KKGF CC(C)(C)Oc1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)NNC(=O)Cn2c(=O)c(Cc3ccccc3)nc3ccccc32)cc1 299863969 QPWZFCKWJNLMKC-KXQOOQHDSA-N 749.868 6.462 50 1 KKGF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@H](Br)[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587322183 LMZSWPMBZFPSOV-MGNYTYRPSA-N 597.565 7.406 50 1 KKGF C[C@]1([C@@H](Br)Cc2ccc(F)c(F)c2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587328746 CFURLJNQYAUHKT-DCLXLUIPSA-N 509.293 6.072 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc(OCc3ccccc3)cc2)([C@@H](C)Br)N1 587671535 TWEBOAXTTSSWGW-RYUVBPIJSA-N 533.279 6.728 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cccc(SC(F)(F)F)c2)N1 587719192 KOJDAROFGFRBCT-QGHHPUGFSA-N 513.192 6.373 50 1 KKGF CCC[C@H](CC1(c2nc3ccc(S(F)(F)(F)(F)F)cc3[nH]2)CCCC1)C(=O)OCc1ccccc1 587781392 IWKPKOAYPVBCCO-LJQANCHMSA-N 516.576 8.582 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(-c3sccc3Br)cc2)N1 587848132 ZWAGWBDFNDHBFS-GTJPDFRWSA-N 574.151 7.252 50 1 KKGF Cc1ccc(-c2nnc(-c3ccc(CN4CCN(CCN=C=S)CC4)cc3)o2)cc1Nc1nccc(-c2cccnc2)n1 653805817 QUNPDWGTGYKASN-UHFFFAOYSA-N 589.729 5.528 50 1 KKGF CC(C)[C@@H](Br)[C@H]1c2ncccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 962574896 QHIRMIHEKJWZQN-MZKUHISZSA-N 535.438 5.803 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)s1 963085776 HIECJHZANRFKBW-IVUOSGLUSA-N 731.506 8.198 50 1 KKGF COc1cccc(NC(=O)C[S@@](=O)c2nc3cc(OC)c(OC)cc3c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)[nH]2)c1 1857550652 IBFGWFIRKAQRNX-VXUCHHJVSA-N 612.495 5.411 50 1 KKGF COc1ccc2[nH]c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)c(=Nc3ccc(S(F)(F)(F)(F)F)cc3)[nH]c2c1 1857575336 PBEUAXSAHSFBMK-UHFFFAOYSA-N 594.500 9.284 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@@]56C[C@@H]7CSSC[C@H]([C@H](C)O)Nc8cccc(c8)C[C@@H]7[C@@H]5C=CC[C@]4([C@@]36C)[C@@]12O 2356315926 XWYLJKCURGZVGK-WVGYGPMLSA-N 595.871 5.755 50 1 KKGF C=C(C=C1C=C[C@]2(CC[C@@]3([C@H]2O)[C@H](CCCO)C(=C(C)C=O)CC[C@]3(C)O)C(CO)=C1)CCC=C(C)C 2356349424 FGKVAKLXRFDDLY-LIRVCHIBSA-N 510.715 5.280 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]15CCCC[C@@H]1C[C@H]([C@H](CO)OC)CC[C@@H]5C#C[C@@H]1NC(=N)N[C@H](C(C)C)CSSC[C@@H]1[C@@H](C3)[C@@H](O)O4)CC[C@@H](O)CC(=O)CC2 2356350812 KCAIHYPAVIUMHA-CFQLICPCSA-N 959.285 5.877 50 1 KKGF CCOC(=O)CCc1cc2ccoc2c2c1O[C@@]13C=C[C@H]4SSC5(CCCCC5)[C@@H](CC[C@H](C)CCC[C@H](O)[C@@]4(O1)[C@@]1(O)C[C@@H]4C=C[C@H](O)[C@H](CO)[C@@H]4[C@@]3(O)[C@H]1O)NCCO2 2356356681 CJTHENOBPRIXHS-SKHKAIGTSA-N 886.139 5.105 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNC6(CC#C[C@]7(C=CC[C@H](C)C7)[C@@H]5C4)CCCCC6)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356368290 OHABMJGSMXJYBE-ULWHLXMCSA-N 910.249 8.008 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5CCC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@H]2O)O3)C5)c1O 2356558545 CNBPCPLXAUGPJI-OILBOPLBSA-N 795.029 8.077 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C5=NC(=C2)[C@H](C)[C@@H]5CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)[C@@](OOC)(C(=O)OC)C(=O)C4=C3C)C(CC)=C1C 2356873704 YHWJWNITWMSHJX-QLYILEPJSA-N 915.229 12.303 50 1 KKGF COc1cc(N(CCC#N)CCC#N)ccc1C(/N=N/c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1ccc(C)cc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l)[C@@H](Cl)C[C@]2(C)[C@@]1(OC(=O)c1cccs1)C(=O)CCl 58543094 UVSRXUYQBDAGKD-ZULDAHANSA-N 555.951 6.584 50 1 KKGF CC1(C)CC(=O)c2c(nc(SSc3nc4c(c(-c5ccc(Br)cc5)c3C#N)C(=O)CC(C)(C)C4)c(C#N)c2-c2ccc(Br)cc2)C1 95551325 HPXKTAXYAYITPE-UHFFFAOYSA-N 772.588 10.189 50 1 KKGF C=CCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1 95605296 GXAGQWOZOOYZGO-OZUMBJIGSA-N 529.718 5.280 50 1 KKGF N#Cc1c(-c2ccc([N+](=O)[O-])cc2)cc(-c2nc3ccccc3[nH]2)nc1N1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1 96933498 QEZPLPRGVOBXKX-DQEYMECFSA-N 520.936 5.767 50 1 KKGF O=C(CC1CCC2(CC1)OOC1(CCCCC1)OO2)NCCCNC(=O)CC1CCC2(CC1)OOC1(CCCCC1)OO2 103239187 RVBBEQIQDTUWFV-UHFFFAOYSA-N 610.745 5.303 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C[C@](Cc3ccnc(N)c3)(CC/N=C(\N)N[C@@]3(CCCC34CCCC4)SSC[C@@H](CCc3ccccc3)CCCC[C@H](O)C1)CC2=O 150348649 IPMWDALGGCHZBL-XXZYPECSSA-N 1007.420 10.460 50 1 KKGF biogenic,in-vitro CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1)OC(=O)N(CCCl)CCCl 150530604 PHMVJSWULBLUSV-DKIZGSMFSA-N 835.139 14.872 50 1 KKGF Cc1cc2[nH]c([C@@H]3CCC[C@H]3[C@@H]3CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O3)nc2c(C)n1 587191683 VABAPLNHBBWDQO-KDLFVCEQSA-N 590.809 6.607 50 1 KKGF CC[C@H](C)[C@@H](NC(=O)CCc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C(=O)N[C@H](C)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 587202912 CEHOODWNAHMLGA-LKOFHKMLSA-N 736.558 7.005 50 1 KKGF COc1cccc(COC2=COC(CCl)=C[C@]23Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 587326480 LOWLZMWGBQHXNY-IAPPQJPRSA-N 508.929 5.849 50 1 KKGF C[C@@H]1CCc2c(sc(NC(=O)CCl)c2[C@]2(c3ccc(C(C)(C)C)cc3)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C1 587373535 LWZVHHXKFZBQIR-VNUPHYOPSA-N 632.197 8.495 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](CCl)(c1cc(C)n(-c3cccc(Br)c3)c1C)CC2=O 587458103 PUVMXZLUUGRWGQ-VWLOTQADSA-N 502.836 6.614 50 1 KKGF CCCc1c(O)ccc2c1O[C@](c1ccc(OCC)cc1)(c1c(NC(=O)CCl)sc3c1CC[C@H](C)C3)CC2=O 587494043 HSLRXEMJBZGZOO-FZEVHQGJSA-N 568.135 7.016 50 1 KKGF O=C1C[C@](c2ccc(F)cc2)([C@H](Br)[C@@H](Br)c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587505465 IUCVHSGFFRCTEL-OIKPOIBNSA-N 576.275 7.604 50 1 KKGF Nc1c(Br)cc([C@@]2(CBr)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1Br 587540073 ZXFKMXFEWDIWAM-LAUBAEHRSA-N 584.058 5.751 50 1 KKGF CN1CCN(c2ccc(Nc3ncc(Cl)c(Oc4cccc(NC(=O)/C(C#N)=C/C(C)(C)C)c4)n3)cc2)CC1 621431478 LSMULHQDEVLDCT-LVZFUZTISA-N 546.075 5.852 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CCl)(c2ccc(N3CCOC3=O)cc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963031402 DNJIMXUHSPVJSY-UYHPJTEGSA-N 645.058 6.664 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](C)([C@H](C)Cl)N1 963160419 JFAUVMCLSVJNTN-LAJKQIPCSA-N 526.080 5.809 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CCl)(c2cn(CCC#N)c3ccccc23)N1C(=O)OCC1c2ccccc2-c2ccccc21 963380763 MYVYQZHCSBXQON-LFGICVIVSA-N 646.143 7.092 50 1 KKGF COc1ccc2c(c1OC)[C@]1(/C(=C(\C)NNC(=O)Cc3ccccc3)C(=O)c3ccccc31)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963797643 ZGOJCXVAFDLODK-KSMIFGDGSA-N 654.723 5.030 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@](CBr)(c2ccc(F)c(OC(F)(F)F)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948953 ZZHNXEPMRGSPIB-QJKNDASRSA-N 760.670 6.500 50 1 KKGF C[C@](O)(CS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)Nc1ccc(C#N)cc1C(F)(F)F 1857546851 YDVGSOPJRRSHHS-KRWDZBQOSA-N 538.438 5.398 50 1 KKGF COc1cc2nc(SCC(=O)Nc3ccc(C#N)cc3)nc(Nc3c(C)cc(/C=C/C#N)cc3C)c2cc1OC 1857561686 GIFXBYKFZXYXAH-AATRIKPKSA-N 550.644 6.147 50 1 KKGF N#C/C(=C\c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cccs2)s1 1911584624 BTXGANUAXCGAPA-NTCAYCPXSA-N 529.024 5.233 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H](CCC[C@@H]4[C@H](CNC(=N)N)[C@@H]5C(=CC(=O)[C@@H]6C[C@H](O)[C@H](O)C[C@]56C)[C@]2(O)[C@@]34C)[C@@H](O)CC1=C1CCCC2(CCCC2)C1 2356476251 FTNWCJXOLUVFNE-MBVZLKHUSA-N 864.276 7.584 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356645092 FMXGBXQYOLAMDL-MJLIAZTLSA-N 795.118 7.035 50 1 KKGF COOC[C@](C)(O)[C@@H](O)CCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356714020 YYNMLQJLJBQYOP-HZFRXHCASA-N 524.783 6.494 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](c2c[nH]c6cn(cc26)[C@@H](O4)[C@@H](C#C[C@@H]7O)C2(C#CO3)CCCC2)[C@@]2(CCC3(CCCC3)C2)C5)[C@H](O)C1 2356774141 RGIVUCGBLKFZNZ-WEQCMELZSA-N 995.321 9.618 50 1 KKGF CO[C@H]1C[C@@H](C[C@@H]2O[C@H]([C@H](C)C(=O)OO)[C@H](C)[C@H](O[C@H]3CC[C@@H](OC)[C@@H](C)O3)[C@@H]2C)O[C@]2(O[C@](C)([C@@H]3CC[C@H]([C@@H]4CC[C@H]([C@@H]5O[C@](C)(O)[C@H](C)C[C@@H]5C)O4)O3)[C@H](OC)[C@@H]2C)[C@H]1C 2356780450 WWIQNJAWIWZDGY-XHAQMZNYSA-N 885.142 6.435 50 1 KKGF CC(=O)O[C@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](CC3=CCNC(N)=C3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@@H](O)C1)CC2=O 2356847035 OSZLWMHCXLITFG-OWAUTPLLSA-N 827.171 6.887 50 1 KKGF NC(=O)c1oc2cc(O[C@@H]3O[C@@]4(C(=O)O)C=CC(=O)[C@@]5(OCSSC[C@H](c6cc[nH]c6)[C@H]([C@@H]6CC#CCC[C@H]7C=CC(=CC6)c6ccccc67)CNC[C@]35O)[C@@H]4O)ccc2c(=O)c1-c1ccc(O)cc1 2356861096 UFIRLCBCYHRLDC-KPZWYTOUSA-N 984.118 6.410 50 1 KKGF C=C(C=O)[C@@H]1C[C@@]2(C)C(=CC1=O)[C@H](OC(=O)/C(C)=C/[C@@H](C)CCCC)CC[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)OC 26473636 VFHPNAZHTGNJLW-VCMSDONXSA-N 557.728 5.062 50 1 KKGF N#Cc1ccc(C(F)(F)F)cc1/N=N/N(C(=O)Nc1ccccc1)c1cc(C(F)(F)F)ccc1C#N 27989730 CXKRKFHHQMEKQL-JEIPZWNWSA-N 502.378 7.205 50 1 KKGF CC1(C)CC(=O)C2=C(C1)N(c1ccc(Cl)cc1)CN(c1ccc(OCC(=O)N/N=C/c3cccc([N+](=O)[O-])c3)cc1)C2 64746262 AFOZNNYFILUKIO-ATZGPIRCSA-N 588.064 5.705 50 1 KKGF Cc1c(C(=O)CCc2ccccc2)c(O)c2c(O[C@@H]3O[C@H](CO)[C@]4(CC[C@H](C)[C@@H]5CCOC[C@@H]5CSSCO4)[C@H](O)[C@H]3O)cc(C(=O)O)cc2c1O 85511352 UISOIPKWIWTDJH-XFVCDLINSA-N 758.908 5.068 50 1 KKGF biogenic,in-vitro CC[C@@H]1C=C[C@@]2(C3=C[CH+]N=C3)CSSC[C@H](c3ccc(O)c(OC)c3)CC(=O)C[C@H](OC(C)=O)[C@H]2C1 85624572 RDNALEUOWQZKBJ-JUWLBCIRSA-O 528.716 5.922 50 1 KKGF biogenic,in-vitro CCN(CC)c1ccc2c(C)c(-c3ccc([C@@H]4C(C#N)=C(N)OC5=C4C(=O)C[C@H](c4ccccc4)C5)cc3)c(=O)oc2c1 95559446 BHEQTSFNBDIQNL-OGVWKLGRSA-N 571.677 6.823 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@]2(/C1=C/C=C/c1ccccc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 102960226 MWKFVBNQTQDCFH-ORNWONQWSA-N 531.468 7.136 50 1 KKGF C[C@H]1CC[C@H]2[C@@H](C[C@@]3(CCCCc4ccccc4)C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 169323554 PQWICQFZDCPUIL-CDTANWJNSA-N 680.835 6.937 50 1 KKGF Br[C@H](COc1cccc2c[n+](Cc3ccccc3)ccc12)CN(Cc1ccccc1)Cc1ccccc1 169329862 JTZBBASBKLVWLG-HKBQPEDESA-N 552.536 7.020 50 1 KKGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NC(c2ccccc2)c2ccccc2)c2ncccc2c1 205199565 BXYBETBYCOFZKD-NRFANRHFSA-N 526.641 5.127 50 1 KKGF CC(C)CSc1ccc([N+](=O)[O-])cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586969133 NSAQSYJTUGTVEJ-UHFFFAOYSA-N 532.354 8.306 50 1 KKGF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC1 587090887 AUFQODURPYJIAU-UHFFFAOYSA-N 604.358 7.788 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190680 MLTYFDDGIXOTNU-UVICXLBLSA-N 633.727 7.151 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(S(=O)(=O)Nc4ccc(Cl)cc4)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191322 YLEJIVRPRRVNEF-UDQBODKSSA-N 751.390 8.049 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(I)cc2)[C@H]1c1ccc(F)cc1 587334887 IKAXALXNIBMUGK-UNMCSNQZSA-N 553.165 5.785 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(OCc3ccccc3)c3nc(O)ccc23)N1 587673474 NCZDMVPZKKOQGJ-JWIGPWBQSA-N 586.299 6.594 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1CCc1ccc(Cl)cc1 587688596 MLEYEMFBKXOSDQ-MQNRADLISA-N 524.305 6.919 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](/C(C#N)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)(C(C)(C)C)N1 587749203 CPNVOUVRJSSFRX-JZGJJZMESA-N 538.417 7.139 50 1 KKGF COc1ccc(C(=O)[C@H](Br)[C@]2(c3ccc(OC)cc3)c3cc(OC)ccc3CCN2C(C)C)cc1 962094754 RRDZGRPSCOSJNT-VMPREFPWSA-N 538.482 5.869 50 1 KKGF O=C(CCl)NCc1cc([C@]2(c3ccccc3)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)ccc1O 962706653 HDAGLJQMQDQDSS-HQLCZOSHSA-N 765.257 6.656 50 1 KKGF COc1ccc([C@@]2([C@H](C)Br)c3ccccc3C[C@@H](C(=O)O)N2C(=O)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 962719612 UHRXHRCMBSCTFY-YKJBYZCUSA-N 704.612 6.839 50 1 KKGF Cc1onc(-c2cccc(Cl)c2Cl)c1[C@]1(CBr)c2[nH]c3ccccc3c2C[C@@H]([C@@H](O)CC(=O)O)N1C(=O)OC(C)(C)C 963067573 QNUFWMUIGAERDL-MWXNICTNSA-N 679.395 7.074 50 1 KKGF Fc1ccc([C@H](Br)[C@H](Br)[C@]2(c3ccc(F)cc3)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963094288 CIUQZVIHJMUOHL-PZYJALBSSA-N 565.271 7.268 50 1 KKGF CCCN1[C@H](C)Cc2ccccc2[C@]1(c1cccc2ccccc12)c1cn(CC[C@H](Cl)CC)c2ccccc12 963237723 ZFCQQHYSMULKRK-HBHMWIPXSA-N 535.175 9.151 50 1 KKGF COC(=O)/C(C#N)=C/c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)s2)s1 1857544556 QZHDFKDNKOCKJJ-BSYVCWPDSA-N 518.663 8.693 50 1 KKGF C[C@@H]1CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@H](OC(=N)O)[C@H](C)CCCC[C@H](CCCC(Br)Br)c2c(O)cc(cc2O)[C@@H]1O 2356323138 IUDYVLGONCYFPN-PCMOUXJMSA-N 943.447 11.939 50 1 KKGF C[C@H](O)[C@H](C(=O)O)[C@@H]1[C@H]2C=C[C@@H](C[C@H](CC=CCCC3CCCCC3)[C@@H](Cc3cccc(CO)c3)CSSCc3ccccc3C2)[C@H]1CCN 2356356518 ZSBZNYFSKQSOBD-XHUWCPIBSA-N 720.098 9.253 50 1 KKGF CCCCCC=CCC=CCCCCCCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H]([C@H](C)C=C[C@H](C)C(C)C)CC[C@H]4[C@]34C=C[C@@]2(C1)OO4 2356392886 RVFYKXQFSWLLPU-YBMFXMRCSA-N 691.094 12.838 50 1 KKGF CCCCC[C@H](C[C@H](O)CO)C[C@@H]1CC[C@@]23CSSCc4cc5c(cc4C(N)N)C#CCc4[nH]ccc4C(=O)C[C@H]5c4cc(ccc4O)CCOc4cc(ccc4O)CCC(=O)C=C[C@@]1(C[C@@H]2O)C3 2356409597 MYPIUKNZCUXEMS-KALLGDGUSA-N 976.315 9.096 50 1 KKGF CC(C)Cc1cccc(C[C@@H]2CNC(=N)N[C@]23CC[C@H]2CSSC[C@H](CCO)[C@H]4[C@@H](CO)C[C@H]5CC6=C2C(=O)C[C@]64[C@@]5(C)CCSSC3)c1 2356541696 GYKGSNGFZDRSDD-CSDAPYCNSA-N 744.171 7.396 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SS[C@H]5CCC[C@@H](CC[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)C5)c(O)c(OC)c1O 2356614235 MASSNJHOOAPKHV-QSZRXYFCSA-N 738.921 6.661 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCCO)SSCNC1=CC2=C(CC[C@@H]4CC5(CCCC5)C[C@]24C[C@]2(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]2O)CN1 2356808746 AJNJFOFVUXULRU-JRJVALJTSA-N 929.167 5.299 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@@]1(Cn3ccnc3)CCN[C@H]3NC=C2C=C31 2356819192 DZXGPXWWFSWXMV-FJKNBUKBSA-N 618.825 5.534 50 1 KKGF CNCC[C@@H]1C=CC(=CC[C@H](C)[C@@H]2CNC[C@]3(O)[C@H](Oc4ccc5c(c4)OCC(=C4C=CC(O)=C[CH-]4)C5=O)O[C@H](C(=O)O)[C@H](O)[C@@H]3OCSSC[C@@H]2C2=CCN=C2)c2ccccc21 2356845272 ODBZYCHOAWDVGN-BXFPNJTASA-N 897.105 5.998 50 1 KKGF Cc1cc(S(=O)(=O)n2ccnc2Oc2ccccc2)c(SSc2cc(Cl)c(C)cc2S(=O)(=O)n2ccnc2Oc2ccccc2)cc1Cl 95551462 AFZPENALDCLFDL-UHFFFAOYSA-N 759.740 8.861 50 1 KKGF CN(C)c1ccc(/C=C/c2cccc3c2N(CCCCI)C=S3/C=C/c2ccc(N(C)C)cc2)cc1 96922721 DQTRKGDWQHJRMF-NSFTWKFUSA-N 609.621 8.083 50 1 KKGF CCCCC[C@H](C)CC[C@]12/C=C/C(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@H]3CC(=O)[c-]4ccnc4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@H](CC1)C2 150349197 KSGWHGOHTYAHSI-VBMPRHRXSA-N 873.218 10.798 50 1 KKGF biogenic,in-vitro CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(/C=C/c2cccc(C(=O)NNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)c2)c(Cl)c1 150540899 KIKQEWIBMAXBON-MDZDMXLPSA-N 946.265 12.088 50 1 KKGF Cc1nn(-c2ccccc2)c(-n2ccnc2)c1[C@@H]1C(C#N)=C(N)N(c2cccc(O)c2)C2=C1C(=O)CC(C)(C)C2 169310102 ZJVJNCHYIAPJDI-MHZLTWQESA-N 531.620 5.013 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H]([C@H](C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)OC(=O)Nc3ccc(F)c(Cl)c3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169313273 DOZOJXNVOKZNIH-RKAIAWGQSA-N 750.301 8.287 50 1 KKGF CCCCC[C@]1(C[C@H]2C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]5[C@@H](C)CC[C@@H]2[C@@]35OO4)C(=O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169372851 BVDCSUCKQJSEMS-UQNZPDLTSA-N 618.764 6.104 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@H](/C=C\CCCC(=O)O)NC1(c2ccccc2)c2ccccc2-c2ccccc21 195496917 UEPVIFJQIUJUFH-FUJNUPIQSA-N 527.781 7.750 50 1 KKGF CCCCN(CCCC)CC[C@@H](OC(=O)O[C@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3)c1cc2c(Cl)cc(Cl)cc2c2cc(C(F)(F)F)ccc12 215285153 SVFWASOJINENNQ-PERPENIASA-N 806.790 12.575 50 1 KKGF C[C@@H]1C[C@@]2(N=C(N)CS2)[C@]2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO[Si](C)(C)C)C[C@H]3O[C@@H]2O1 261176182 UWNBDYPUCHQNFS-ZVVIJJPLSA-N 761.143 6.406 50 1 KKGF COC(=O)CNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCC1)OO2 299848304 LAZMWWKUMGPAOG-IFDRVEHLSA-N 691.859 5.701 50 1 KKGF Fc1ccc(-c2ccnc3c2c(C2CC2)nn3Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc1 587166302 XDHSZABAPNABMV-UHFFFAOYSA-N 588.375 8.459 50 1 KKGF CC(C)(C)OC(=O)N(Cc1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1)C[C@@H]1CCCO1 587197090 IGPWTDOTLWUCKC-NSHDSACASA-N 536.361 6.899 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc3c(c2)Cc2ccccc2-3)[C@@H]1c1ccc(F)cc1 587324158 WQAHIAFEYPSKDQ-PXJZQJOASA-N 515.378 6.752 50 1 KKGF Cc1cc([C@]2(CCl)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)n1-c1ccc(OC(F)(F)F)cc1 587503659 IJTZHZQXECFGRU-AREMUKBSSA-N 503.948 6.971 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)n1-c1ccc2c(c1)OCO2 587541328 AZPSSYBPMAUSOH-LEAFIULHSA-N 503.938 5.624 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2ccc(I)cc2)N1 587736781 BVAGTCSJOIIWNJ-BTDLBPIBSA-N 539.024 5.366 50 1 KKGF Cc1c(CBr)c(C)c(CC#CCNC(=O)Cc2ccc(Cl)cc2Cl)c(C)c1CBr 587874768 GFEFLNGIAWBRJJ-UHFFFAOYSA-N 560.157 6.613 50 1 KKGF CN(C)CCSSCCNC(=O)[C@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H]1c1ccc(OC(F)(F)F)cc1 618017495 QSHCCXPMMNMMCY-MOPGFXCFSA-N 626.550 5.513 50 1 KKGF FC(F)(F)c1cnc(Cc2ccc([C@]3(CCl)NCCc4cc(-c5ccccc5)ccc43)s2)c(Cl)c1 962662962 NDLKDGJJNDGGHJ-AREMUKBSSA-N 533.446 7.701 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@](c2ccc(Cl)cc2Cl)(C(Cl)Cl)N1 963166072 CCJDEGCQWWFTKQ-YVEFUNNKSA-N 507.550 6.312 50 1 KKGF COc1ccc2cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4ccc(Cl)c(C(F)(F)F)c43)ccc2c1Cl 963177614 OHRLGTOEXAHTIQ-KSFYIVLOSA-N 518.746 6.255 50 1 KKGF Cc1c([C@]2(CCl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2ccccn2c1C(=O)c1ccc(F)cc1 963240908 ZVSCTXAGIFVZDU-QABMSTFYSA-N 527.983 5.247 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]3(CCCCCCl)c3ccc(Cl)cc3)nc(Cl)nc21 963929288 UNEPASIIHKRACT-NDEPHWFRSA-N 558.941 7.525 50 1 KKGF COC(=O)N[C@H](C(=O)NN(Cc1ccc(-c2ccccn2)cc1)C[C@H](OC(=O)[C@@H](NC(=O)OC)C(C)(C)C)[C@H](Cc1ccccc1)NC(=O)O[C@@H](OC(=O)[C@@H](N)C(C)C)C(C)C)C(C)(C)C 1857538655 YOHNRXJNQMSDBT-SFKSYUPWSA-N 920.118 5.881 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3C[C@H](C(=O)[C@@H](CO)C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@]1(C=C[C@H](CCO)[C@@H]2C=C[C@@H]3[C@H](CC)N(CCCOC)CC[C@H]3[C@@]21O)C4 2356354342 ZDTSGCBHISZYMX-ZDWNUHNJSA-N 977.161 5.423 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCC[C@H](CO)[C@@]67C(=O)N(CC76CCCC6)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)C[C@H](O)[C@@H](O)C[C@]35C 2356364346 WDDOIXBZHYQOKM-PBGNYDRNSA-N 932.299 7.553 50 1 KKGF CCCCCCCCCCCCCCCCCCCCCCCCCCCCC[C@@H](C[C@H]1CC(SCCCS)=CC(=O)O1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C 2356524052 OAIXKVOWLJHSOF-WLTNIFSVSA-N 893.558 16.517 50 1 KKGF CC(C)=CC[C@@]12C[C@H]3C[C@@H]4C(C)(C)OO[C@H](C(C)(C)OO)C[C@@]4(C1=O)C(=O)[C@@](C(=O)c1ccccc1)(C2=O)C3(C)C 2356531183 RLEFNZSVUBRTHL-AQSLGEBRSA-N 566.691 5.739 50 1 KKGF COc1cc([C@@]23CC[C@@H]4SSCC[C@@H](C)CC[C@H]5Cc6c(c(OC)cc(c6[C@H]4[C@@H]2O)O3)-c2ccc(O)cc25)c(O)c(OC)c1O 2356553198 RGVODVDAAJLWFE-CDZWFUOWSA-N 652.831 7.232 50 1 KKGF CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@H](C)[C@]2(O)[C@H]([C@H](OO)C(CO)=C[C@]3(O)C(=O)C(C)=C[C@H]23)[C@H]2C(C)(C)[C@@]21OC(C)=O 2356635658 FQFQITFMDONOLF-HFNCHTINSA-N 676.888 6.001 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCN[C@]1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@@H]5[C@@H](C3)[C@H](O)O4)C[C@H](Cc3cccc(O)c3)CC3(CCCC3)C1)CC[C@H](O)CC(=O)CC2 2356770062 WBLWOSLSSMWSRB-XTPAXHBGSA-N 991.330 7.962 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@@]2([C@H]1O)[C@H](CCC1(O)CCCC1)C(=C(C)C=O)CC[C@]2(C)O)CCC=C(C)C 2356775567 NHNMGQOAZVFFMM-RCABLKMBSA-N 540.785 6.283 50 1 KKGF C[C@H]1CSSC[C@@H]2C[C@@H]([C@@]3(C)C=CC[C@@H](C)C3)C[C@@H](Cc3cc(O)cc(c3)[C@@H]3CC[C@H](N1)c1ccccc13)C2 2356777383 USBLETYKXZAUDL-DMGIKQQPSA-N 561.901 9.300 50 1 KKGF C=C1[C@@H](CC[C@@H]2[C@](C)(O)CC[C@@H]3OC(C)(C)[C@H](O)CC[C@@]32C)C(C)(C)[C@H]2CC[C@](C)(O)[C@@H]2C[C@H]1OO 2356800263 PWINAHBZPRMJKO-LRKJLRKOSA-N 508.740 5.490 50 1 KKGF CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)C[C@H](OOC[C@](O)(Cc1ccc(O)c3ccc(O)cc13)[C@H](O)[C@H](O)[C@H](O)CO)[C@]1(CC=C3CC[C@@H]4CCCC[C@]45C(=O)NC[C@@H]5[C@@H]3C1)O2 2356809921 AUCHMNYEACTCCV-YXEJWEPLSA-N 960.090 5.592 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CC3=O)[C@H]3C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@H](O)C2)C4 2356824677 GXFJBQZBEQLHLL-SNACGGDBSA-N 993.394 8.960 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C=O)=C[C@]34C)[C@]1(C)CC2 13834874 DHAWJSBWINUXKR-BRCPUVQUSA-N 508.699 6.054 50 1 KKGF O=S(=O)(CCNc1c2ccccc2nc2ccccc12)c1ccc(N(CCCl)CCCl)cc1 26822003 PMVJNHNMCRYURC-UHFFFAOYSA-N 502.467 5.558 50 1 KKGF O=C(CCCc1c(SSc2[nH]c3ccccc3c2CCCC(=O)NCc2ccccc2)[nH]c2ccccc12)NCc1ccccc1 27714387 OHULBTKPWJQBHV-UHFFFAOYSA-N 646.882 8.727 50 1 KKGF CC(=O)OC[C@@]1(C(=O)O)CC[C@]2(C)[C@H](CC[C@H]3[C@@]4(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]4CC[C@]32C)C1=O 28526734 UYLUNZVIASNMRS-RQFFHFAZSA-N 539.109 5.409 50 1 KKGF CC1=C(C#N)[C@@H](c2ccccc2C(F)(F)F)/C(=C(\O)OCCN2CCCCC2)C(C[S@](=O)c2ccccc2)=N1 43260775 QKPQQPSQHYVMAX-AOXWACBLSA-N 557.638 6.121 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)Nc4ccccc4)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCC(C)CC1)OO3 49946996 DHFZMAYBIDXOSO-XRZUSCHUSA-N 709.921 8.296 50 1 KKGF NCC[C@@H]1CC[C@@H](C/C=C\[C@H](O)[C@H](O)C2CCCCC2)[C@H](Cc2cccc(CO)c2)CSSCc2ccccc2CC[C@@H]1CC(=O)O 85505474 TYDFSQYJSJKOBX-AVOOTKRPSA-N 684.021 7.566 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@H]1CC(=O)CCc2ccc(O)c(OC)c2-c2ccc3ccc(O)cc3c2CSSC2CCC1CC2)c1cccc(O)c1 85597387 HZJZSOFWNCDUKN-GKSKPZBWSA-N 659.870 8.281 50 1 KKGF biogenic,in-vitro CCCCC[C@@H](O)CC(=O)CCc1ccc2c3c1CSSC[C@@H]1CN[C@H](N)c4ccc5c(c41)CC1=CN=C4C=[N+](C=C14)[C@@H](O3)[C@H](C#C[C@H]5O)C1(C#CO2)CCCC1 85628686 NECFMXQYALUMHF-XZYKDMKCSA-N 804.071 6.906 50 1 KKGF biogenic,in-vitro [C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)c2nc(N3C(=O)c4ccccc4C3=O)nn2[C@H]1c1ccc(C#N)cc1S(C)(=O)=O 96175699 NPRNEDFKNLIKMN-VWLOTQADSA-N 629.580 5.265 50 1 KKGF CC1=NN(c2cccc(Cl)c2)[C@@]2(/C1=C/c1ccc(O)cc1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 102921318 XCJINWZVZXFXCJ-CHMYXQSQSA-N 521.429 6.285 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@H](CC(O)(C[C@@H]3O[C@@H]4O[C@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)c3ccc(C(=O)O)cc3)O[C@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4 169366183 LZFFIZKRGIXYGQ-VAYAIJGVSA-N 712.877 6.854 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@@H]1C)OO2 299847928 ZNVVWMNCRFBNDN-CPFNPTGESA-N 648.834 6.831 50 1 KKGF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587040537 NPQWDIMDHYGWLF-NSHDSACASA-N 510.348 6.965 50 1 KKGF CC(C)(C)OC(=O)N[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587047599 YLJLDKHSLJYOIJ-HSZRJFAPSA-N 717.382 10.677 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191155 PWWPZHSAYCMDNK-YEXLVFSCSA-N 684.672 7.056 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Cl)cc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587191743 WXVNFGMLMCMADF-YEXLVFSCSA-N 630.657 7.902 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)c1cc(Cl)c(CBr)c(Cl)c1 587538294 OVUBNDCWXKRQRZ-SQHAQQRYSA-N 556.239 7.499 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2C)cc1 587546310 VUOYQCXNYXBHSE-UHSQPCAPSA-N 503.982 6.294 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N1 587673207 LJJSRFJDCPENPF-PWECECGKSA-N 541.343 7.062 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 587674576 XPWAIQORFKXPAY-WVDJIFEKSA-N 549.065 6.723 50 1 KKGF COc1ccc([C@H](Cl)[C@@]2(c3ccc(OC)cc3)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587689432 SJQKTJXJZVLIEE-JNHXJRNOSA-N 504.827 6.363 50 1 KKGF CC1(C)CC[C@]2(NC(=O)C(C)(F)F)CC[C@]3(C)[C@@H]([C@@H]2C1)[C@@]1(C=C2[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]23C)c2ccc3c(c2CCN1C(=O)OC(C)(C)C)NCCC3 961748144 IOZVCXHQQIDBTD-SKUDKRRUSA-N 813.087 10.208 50 1 KKGF COc1cc([C@]2(CCl)c3ncccc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(O)cc1Br 962406422 RZYOIFLOUVRXRJ-HVIPQOSHSA-N 649.925 6.301 50 1 KKGF O=C(O)[C@H]1Cc2cnccc2[C@H](c2ccccc2P(c2ccccc2)c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962473332 IXVJPMPZPQWYQZ-NPTUGSORSA-N 660.710 7.190 50 1 KKGF CC(=O)c1ccc2c(c1)[C@]1(C=C(CCl)OC=C1OCc1ccccc1)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962632844 UPSQMGMILJKPPH-OUTSHDOLSA-N 540.012 5.542 50 1 KKGF COc1cc2c(cc1OC)[C@](CBr)([C@@H]1Cc3ccccc31)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668044 AXYIXFLCKHKVTD-YIXXDRMTSA-N 560.410 6.351 50 1 KKGF COc1cc2c(cc1OC)[C@]1(C(C#N)=C[C@]3(C)C4=CC(=O)[C@@H]5[C@H]6CC(C)(C)CC[C@]6(C(=O)O)CC[C@@]5(C)[C@]4(C)CC[C@H]3C1(C)C)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962684069 YPZIIAUDEBQAFR-GLHCPMGESA-N 826.997 10.352 50 1 KKGF Cc1cc([C@]2(CCl)N[C@H](C(=O)O)Cc3ccc(Cl)c(C(F)(F)F)c32)c(C)n1CCc1cccs1 963188747 WLDYGPSGXYBHCV-CVDCTZTESA-N 531.427 6.163 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@@H]1CCCC[C@@]12c1[nH]c3ccccc3c1C[C@@H](C(=O)O)N2C(=O)c1ccccc1 963413501 IOVOOMNIFGGWPR-FVXXUCQHSA-N 518.730 6.479 50 1 KKGF CN1c2ccccc2C(=O)N2CCc3c(n(CCOC(=O)c4ccc(N(CCCl)CCCl)cc4)c4ccccc34)[C@@H]21 1772589456 PKBVQJGGOKDWNJ-SSEXGKCCSA-N 591.539 5.929 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@]([C@@H]4CC[C@@H]5CCC[C@]5(C[C@H](O)CO)C4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356299616 GCSFTFKWKNEHMH-KBSDIUIPSA-N 960.272 8.316 50 1 KKGF COc1cc2cc(c1O)CN1C(=O)C[C@@H](C[C@H](NC(=N)N)CSSCCCCCC[C@H](O)C[C@@H](OC(C)=O)CC2)[C@H]1CCC(C)C 2356355678 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Cc1c(-c2ccc(OC(F)(F)[C@@H](F)Cl)cc2)csc1-c1nc(-c2c(F)cccc2Cl)nn1C 103206908 NBQXQVVQXUJELM-OAQYLSRUSA-N 516.347 7.485 50 1 KKGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@H](n2cc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 148853272 QBWDAFICRCELKK-DWFNGTSHSA-N 504.594 5.496 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1CC[C@H](C[C@H]1O)[C@@H](O[C@@H]1N[C@@H](CCC3(O)CCCC3)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 150347670 PIVIAJMETAGOJR-VZBCFTGQSA-N 957.265 9.124 50 1 KKGF biogenic,in-vitro Cn1cncc1CN1C[C@@H](N(Cc2ccc3ccccc3c2Br)S(=O)(=O)c2ccccn2)C[C@@H]2CC(C#N)=CC=C21 169368901 GOKHKHNRDKAEPX-UIOOFZCWSA-N 629.584 5.550 50 1 KKGF CCN(CCCCC/C=N\c1cc(O)c(NCCCNC(=O)CCCC[C@@H]2CCSS2)cc1O)Cc1ccccc1OC 169722282 MMTJBGZQEXUURN-LIHQEDGWSA-N 630.921 7.524 50 1 KKGF N[C@@H](Cc1cccc(Br)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586983818 JLHPAAKWSJFHTC-LBPRGKRZSA-N 521.147 6.988 50 1 KKGF FS(F)(F)(F)(F)c1cc(Br)c2[nH]c(/C=C/c3ccc(-c4ccc(Br)cc4)o3)nc2c1 586996978 AFFJDXFTAXZXJI-SOFGYWHQSA-N 570.175 9.176 50 1 KKGF COC(=O)c1ccc(Oc2ccc3nc(/C(C#N)=C/c4cc(C)n(-c5cccc(Cl)c5Cl)c4C)[nH]c3c2)cc1 587054359 FKLSOFABGOMWSH-KGENOOAVSA-N 557.437 7.920 50 1 KKGF Cc1csc([C@](O)(Cc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)C(F)(F)F)n1 587095252 ZTSZBLOEZGMXEK-CYBMUJFWSA-N 532.276 6.740 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(Oc3ccccc3)cc2)N1 587674233 VFHOJNNUWCLRKJ-NPMXOYFQSA-N 505.225 6.553 50 1 KKGF CCN(CC)/C(=C(/C#N)[C@@]1(CCl)N[C@@H](C)Cc2ccc(F)c(Br)c21)c1ccc(F)cc1 587737423 XMYZXZMXUQYHPR-GKUGSLNRSA-N 508.838 5.972 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCCl)(c2ccn(S(=O)(=O)c3ccccc3)c2)N1 587840350 KKCFADLTXZHYHJ-QRQCRPRQSA-N 511.844 5.033 50 1 KKGF C[C@@H]1Cc2c(Cl)cc(C(=O)N3[C@H](C(=O)O)Cc4ccccc4[C@@]3(CCCCCl)c3ccccc3C(F)(F)F)c(O)c2C(=O)O1 962938932 XWDKOJDECWHGJG-LHKCCSFDSA-N 650.477 6.970 50 1 KKGF FC(F)(F)c1cccc2c1[C@@](CCCCCl)(c1ccc(C3OCCO3)s1)NCC21CCOCC1 962949954 DNYNREIRNYGPEQ-XMMPIXPASA-N 516.025 6.116 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCCCCCl)(c2cccc(F)c2)N1C(=O)c1ccc(Cl)cc1 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KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](C)(CCOC)Cc2cccc(c2)[C@H]1CCc1ccccc1 2356372502 GDSBARYVMNRMKO-HENIUSBMSA-N 921.273 7.480 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@]23CC[C@@H]4SS[C@H]5C[C@H]6CC[C@H]7c8cc(O)ccc8-c8c(OCCO)cc(c(c8[C@@]7(CO)CSS[C@H]7CC[C@H](CO)C(=C75)C6)[C@H]4[C@H]2O)O3)c1O 2356693246 DMIOJGCXYNMWOP-DRWBWHHHSA-N 953.276 8.913 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)C[C@]1(CC[C@]3(CC[C@H](CO)C3)C1)C[C@H]1[C@@H]2C[C@@H]2C[C@@H]1Cc1cc(O)cc(c1)Cc1ccccc1CN[C@@]1(C)CC[C@H]2SSC1 2356721508 HAYPXTXDDKEWNC-JVSNRIQNSA-N 726.149 10.905 50 1 KKGF CC(C)(Cl)[C@H](Br)CC[C@](C)(O)[C@H]1CC[C@@](C)([C@@H](O)CC[C@@H](O)[C@@]2(C)CC[C@@H]([C@@](C)(O)CC[C@@H](Br)C(C)(C)Cl)C2)C1 2356762669 MJHMIBYCWMSRPM-POYMOVIJSA-N 737.526 8.725 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@H](O)C[C@]35C)[C@H](O)SSC[C@@H]3CCCC[C@@]35C(=O)N(CC53CCCC3)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@@]43O 2356775795 BMRJBKBEGSYTHY-CVNDOKGYSA-N 918.272 7.653 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@@H]43)SSCNc3cc(ccn3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356846087 OKAIWSTZLISKGE-NXGZWETDSA-N 834.117 9.711 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6Cc7cccc(c7)N[C@H]7[C@H](CCC[C@H]7O)SSC7(CCCCC7)[C@@H]6C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356848459 PEYWUSDRFGZXCH-INLDKICGSA-N 666.006 7.825 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@H]3[C@@H](O)CC[C@@H](O)[C@H]4C=C[C@@H]5C[C@@H](c6ccccc6)C[C@@]4(C#C[C@@H]3C=C12)[C@@H]5CO 2356859755 TYFCYJYFUZYPSA-SVGNQFRPSA-N 990.342 6.864 50 1 KKGF CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@@]4(C)[C@H](C[C@@H]5O[C@]6(OC[C@H](C)C[C@@H]6Br)[C@@H](C)[C@@H]54)[C@@H]3CC[C@H]2C1 299848200 UZOSLJNYISOLSY-PQQOSPPZSA-N 549.546 5.837 50 3 KKGF in-vitro C=C(/C=C/C=C(/CCC=C(C)C)COC(C)=O)[C@@H]1CC[C@]2([C@H](CCCO)/C(=C(/C)C=O)CC[C@]2(C)O)[C@@H]1O 5891286 KPFIRSWIEJGVNZ-DDKMFYJYSA-N 528.730 5.541 50 1 KKGF CCCC[C@H](CC)CNC(=O)c1ccccc1SSc1ccccc1C(=O)NC[C@@H](CC)CCCC 29468863 BSYRXGVHBHLECM-ZEQRLZLVSA-N 528.828 8.378 50 1 KKGF Cc1ccc(/C=N/NC(=O)C[C@H]2CSC(N3N=C(c4ccccc4)C[C@@H]3c3c(F)cccc3F)=N2)cc1 98082880 WEDPTZDXXBFBGU-BZCVCMOASA-N 517.605 5.436 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c(OC3CCCC3)c2)CN2C[C@@](Cc3ccccc3)(CC2=O)[C@H]2C#CC[C@@H]3CC[C@@]4(CCC[C@]4(N/C(N)=N/C2)SSCCCCCC[C@H](O)C1)C3 150348685 SRWDJHBXGAJNAG-SNRXVVJQSA-N 899.277 9.230 50 1 KKGF biogenic,in-vitro C[C@@H]1[C@H](CC(C[C@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@H]([C@H]2C)[C@@]53OO4)CS(=O)(=O)c2ccc(COC(=O)N(C)C)cc2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]1[C@@]24OO3 169294200 CRSJHIRCVZDTHB-KHRZLSASSA-N 832.066 7.556 50 1 KKGF C=C(c1ccc(Br)cc1)[C@@H]1CO[C@@H](c2cc([C@H](C)CC)c3oc(=O)c(C(=O)OC)cc3c2)OO1 195518611 WGSGYYQEICONIP-NCSBTVFWSA-N 529.383 5.915 50 1 KKGF CC[C@H](C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](CC=C(C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@@H](OCCBr)[C@H](C)O4)[C@H](C)O3)[C@@H](C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 253636870 COEQIDDEZCASCC-WWSBRHRXSA-N 980.040 6.797 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCC(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473108737 OKFITIDBFSTCKA-KUZXEURFSA-N 873.134 9.108 50 1 KKGF CCC(=O)Oc1c([C@@]2(OC(=O)CCl)[C@@H](C)C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@@]32C)[nH]c2ccc(S(C)(=O)=O)cc12 587650615 PCIHDVHUQDKZOY-HKQHTZDVSA-N 676.203 5.481 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 587710160 FPLYTCCLDKLNEE-XYZCENFISA-N 549.122 6.799 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2ccc(F)c(Br)c2)N1 587721482 WAPZMANZVADOLU-XYZCENFISA-N 510.014 5.663 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CBr)(c2cc(Cl)cc(OC(F)(F)F)c2)N1 587724040 YXLXISHRZJBGRH-XLFHBGCDSA-N 531.569 6.313 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](/C(C#N)=C/c2ccc(N3CCCCC3)cc2)(C(C)(C)C)N1 587766203 MLCIQEIWFQZDED-GDMTZSFHSA-N 510.495 6.961 50 1 KKGF C[C@@H](Cl)CCCn1cc([C@]2(C3C(C)(C)C3(C)C)NCCc3cc(-c4ccccc4)ccc32)c2ccccc21 962666846 SLYAHIDYAPELNY-CGDLVVIGSA-N 525.180 8.787 50 1 KKGF CCc1ccc([C@@]2(CCBr)c3[nH]c4ccccc4c3C[C@H](C(=O)O)N2C(=O)c2ccc(Cl)cc2)cc1 963015439 UDOATGKEPBUFAY-IRPSRAIASA-N 565.895 6.564 50 1 KKGF CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3C[C@@H](C(=O)O)N2C(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](CO[Si](C)(C)C(C)(C)C)C1 963087497 CSCVMUCAKJHZDN-SDPHVCLWSA-N 733.038 9.464 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@]2(C=CC[C@H]3[C@H](N(C)C)c4onc(OCc5ccccc5)c4C(=O)[C@]32O[Si](C)(C)C(C)(C)C)N1 963179787 ZSSVAGHQBZTVEP-GVDXWZHSSA-N 902.181 9.565 50 1 KKGF COc1cc2nc([S@@](=O)CC(=O)Nc3ccc(C(F)(F)F)cc3)[nH]c(=Nc3c(Cl)cc(/C=C/C#N)cc3Cl)c2cc1OC 1857568422 RIYXYMFIJLYSEB-KPEXSBQHSA-N 650.466 6.421 50 1 KKGF C=C(C=O)CCC[C@@H](C)[C@@H]1CC[C@]23C[C@]12CC[C@@H]1[C@@]2(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]2C[C@@H](O[C@H]2O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@]13C 1857626456 HDTJUAYSKZYAMY-STQDMEPCSA-N 702.926 5.285 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)C2)CCCC1 2356318260 CDIVCRXMRMAMGC-SLERHNEASA-N 703.971 7.592 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H]1CC=C(C)CN[C@@](C)(CCOC)Cc2cccc(c2)C1 2356352629 XPVJWCGATZLZPL-CLZFZFOTSA-N 733.047 5.950 50 1 KKGF CCCC[C@@H]1CCCC[C@H](C)Cc2cc(O)c(c(O)c2)[C@H](CCCC(Cl)Cl)CCCC[C@@H](C)[C@@H](O)c2cc(O)c1c(O)c2 2356404417 NEHSJAVXGQMVJK-QDZYKSMRSA-N 637.729 10.523 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@@]34C[C@@H](CSSCc5cccc(c5)C[C@@H]3CNC(=N)N4)CC3=C4C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]42CC3=O 2356584850 UXVJLMNTFSDVTF-LIQUOQOSSA-N 756.182 8.174 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C)[C@H](O)SS[C@H]7C=CC8=C(NCC=C8[C@@H](CN8C(=O)C=CC8=O)C4=C5C(=O)O6)N7)[C@H]32)CCCC1 2356840465 MREJDUBPMRJHRI-RJZZVQQJSA-N 781.997 6.375 50 1 KKGF O=C[C@@H]1CC2(CCCC2)C[C@]12CC[C@]1(C2)C[C@]2(O)[C@H](O)[C@H](Oc3cccc4c3C(=O)[C@@]3(CSSCNC5=CC1=CCN5)C(O)=CC(Cc1cccc(CO)c1)=C[C@@H]3C4=O)O[C@@H](CO)[C@H]2O 2356856513 SAGGIOTXEVVDRN-GHUIIEFTSA-N 927.151 5.363 50 1 KKGF CC(=O)N[C@H]1CC[C@H]2[C@@H]3NC(=O)C=C4C[C@@H](OC(=O)c5ccc(C)c(N(CCCl)CCCl)c5)CC[C@]4(C)[C@H]3CC[C@]12C 42805401 WQLSJIMHHSLEHU-GSJHGEESSA-N 618.646 5.750 50 1 KKGF Cc1c(NC(=O)Oc2ccc(N(CCCl)CCCl)cc2)cccc1Nc1c2ccccc2nc2c(C)cccc12 42888782 JSMQMUWMVLVXFG-UHFFFAOYSA-N 573.524 8.643 50 1 KKGF O=C(O)[C@@H]1Cc2cc(I)c(OCCCCl)c(I)c2CN1C(=O)/C=C/c1ccccc1Br 95606068 GAVBBOSQUKRQRN-DKFQHHCZSA-N 730.562 5.717 50 1 KKGF C=CCOc1ccccc1CNCCCCCCNCCSSCCNCCCCCCNCc1ccccc1OCC=C 169332253 BWTGXDRJVRSJSJ-UHFFFAOYSA-N 643.020 7.377 50 1 KKGF CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)c(NC(=O)c3ccc(CCl)cc3)c(c2O)/C=C(\C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O 169718285 UHSFRLRTFMXNHT-AUXJOMFDSA-N 698.213 5.774 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(C(F)(F)F)cc2F)[C@H]1c1ccc(F)cc1 587333651 WROBJDVOAKHLMW-RBBKRZOGSA-N 513.256 6.339 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(C2CCN(C(=O)OC(C)(C)C)CC2)N1 587674126 SYXYGYUYHOSDSY-LRTDBIEQSA-N 520.281 5.360 50 1 KKGF CC(=O)c1ccc2c(c1)[C@@H](c1ccc(Br)c(F)c1CBr)N(C(=O)OC(C)(C)C)[C@H](C(=O)O)C2 962626524 KFBAPHXBZJACQO-PZJWPPBQSA-N 585.264 6.022 50 1 KKGF COc1cc2c(cc1OC)[C@](COC(C)=O)([C@@]1(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Cl)[C@@H](Cl)C[C@@]31C)N(C)[C@@H](C)C2 962639201 PSGIKHBHKOUPFZ-DYLSTPMMSA-N 646.652 5.956 50 1 KKGF Cc1ccc([C@]2(CCCCCCl)c3ccccc3C[C@@H](C(=O)O)N2C(=O)c2cc(Cl)c3c(c2O)C(=O)O[C@H](C)C3)cc1F 962975104 UZSQQMIGLZYNML-WWDMFJCGSA-N 628.524 6.789 50 1 KKGF C[C@@]1(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)c2cc(O[P@](=O)(O)OCc3ccccc3)ccc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963083189 NUHSTHOJALYTFT-DTDSPBSJSA-N 854.268 7.933 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@H](c2ccc(CCBr)cc2)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963092216 JNCFICCYHYUOMG-PXLJZGITSA-N 602.572 8.017 50 1 KKGF COc1ccc([C@]2(C(Br)Br)c3c(cc([N+](=O)[O-])c(O)c3[N+](=O)[O-])C[C@@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)cc1OC 963225799 BHLCNPFXDSERGI-WNSROMTISA-N 813.408 6.846 50 1 KKGF CC[C@@H](Br)C(=O)Oc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN(C)[C@H]4Cc1ccc(cc1)Oc1cc(ccc1OC)C[C@@H]3N(C)CC2 1772652223 BUUOYVAGXISPLK-RTOKGZNSSA-N 757.722 8.233 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCc3cn(CCOc4ccc5c(C(F)(F)F)cc(=O)oc5c4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857749160 YELNFBKJSXPLDV-YBIRNSBYSA-N 635.636 5.249 50 1 KKGF O=C(N/N=C/c1cccn1CCCN1CCCCC1)Nc1ccc(Oc2cc[nH]c3nccc2-3)c(F)c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n4ccnc4)CSSC24CCCC4)[C@]1(C)C[C@H]3CNC(=N)N[C@@H](C)O 2356502091 XKPUODGPDDWHRG-GWMLJBIISA-N 979.452 7.921 50 1 KKGF COOc1cc(C=Cc2cc(O)c(CC=C(C)CCC=C(C)C)c(O)c2)cc2c1O[C@]1(C)C[C@H](O)[C@@H](O)C(C)(C)[C@H]1C2 2356576282 VAAITGYBPMHSSA-SXKDVCLJSA-N 578.746 6.905 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCCO)CC[C@@H](CCO)c3cc(NCC(C)=O)c(CO)cc31)CC(=O)CC2 2356662822 IIFXRPBICSMTJQ-FNPYTKJZSA-N 903.173 7.983 50 1 KKGF CCO[C@H](CC)[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)C(=O)C(C)=C[C@]1(C)OC(C)(C)O[C@@H]1[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)OC 2356726397 ZSXOESDFZFOLOC-HYZGKIGGSA-N 671.001 7.609 50 1 KKGF CO[C@@H]([C@@H](OC(=O)CCC1=C(C)C(=O)OC1=O)C(C)C)[C@H](O)CC(=O)[C@H](C)[C@H](O)CC[C@H](C)[C@@H]1O[C@]2(CC[C@H](C)[C@H](CC[C@H](C)C(C)=O)O2)CC[C@@H]1C 2356752872 AMFQLUYJIGWDCU-XZHWZJILSA-N 750.967 5.815 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356777610 ZYZGTQBQNISGID-NEZUHZBYSA-N 817.165 6.828 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@](CCO)(CCc4ccccc4)CCCC[C@H]3OCCO)C=C12 2356843729 NOROEOPXIXWYPQ-ZHFKTQDCSA-N 968.336 7.327 50 1 KKGF NC(=O)[C@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 26576828 WYBFHVSAXDKMJV-UQVBKJIASA-N 743.245 5.627 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OC/C=C\CO[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49774382 FYPHPAIHOJTHRN-KWTFITEKSA-N 620.780 5.992 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@](CO)(CCCCCCCCNC(=O)CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]2O 49775789 NRANVEOUDMNTFX-DIFYJRNYSA-N 715.847 8.352 50 1 KKGF CN(C)c1cccc2c(S(=O)(=O)OC34CC5C[C@@H](C3)C3(OOC6(CCCCC6)O3)[C@H](C5)C4)cccc12 73170082 CXGPKKVIHUAMBB-DWQAGMNVSA-N 513.656 5.525 50 1 KKGF COc1cc2cc(c1O)CN1C[C@]3(CC1=O)[C@@H](C=C[C@@H]3c1ccccc1)C/N=C(\N)NCSSCCCCCC[C@H](O)C[C@H](OC(C)=O)CC2 85627348 WUPIXQMGSJIJLA-JKJUUXILSA-N 724.990 5.912 50 1 KKGF biogenic,in-vitro O=C1c2cccc3c2C(=O)[C@@]2(C(O)=CC(Cc4cccc(CO)c4)=C[C@H]12)[C@H](CCC1(O)CCCCC1)SSCNc1cc(ccn1)C1(CCCC1)C[C@@]1(O)[C@@H](O)[C@H](O3)O[C@H](CO)[C@H]1O 150344721 DIILEFFIEXEBIV-STCOEBPXSA-N 915.140 6.240 50 1 KKGF biogenic,in-vitro COC(=O)c1c(C(F)(F)F)[nH]c2c(OC(=O)N3CCN(C)CC3)cc3c(c12)[C@H](CCl)CN3C(=O)c1cc2cc(NC(=O)c3cc4c(OC)c(OC)c(OC)cc4cn3)ccc2[nH]1 150546923 UCEFNDASZVCWCJ-JOCHJYFZSA-N 878.261 7.010 50 1 KKGF CCOP(=O)(OCC)O[C@@H]1C[C@@H](n2cnc3c(N(CC)CC)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195468516 ABAHDYXYXVVXMY-AQNXPRMDSA-N 557.705 5.548 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1O[Si](C)(C)C(C)(C)C 195491051 YZHKRXBIMOGRMG-XIXAVDCQSA-N 610.037 7.109 50 1 KKGF COc1cc2c(Oc3ccc(CC(=O)N/N=C/c4ccccc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1 221111962 WRKFZFVDYDEDIQ-GUBAARJWSA-N 584.692 6.368 50 1 KKGF CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3[C@H](OO)C(=O)[C@H]4[C@@H]5[C@@H](C)[C@H](C)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@H]2C1(C)C 255271693 UMLOMKCBVQTPOG-LDOBVSFGSA-N 516.763 7.323 50 1 KKGF N[C@H](Cc1cc(I)c(O)c(I)c1)c1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1 587181496 ZZJRJGUYJRXINZ-LLVKDONJSA-N 631.146 6.378 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c3ccccc3C1=N2 587337717 OMFNJAONAJYQJD-MFACQUFMSA-N 571.608 6.936 50 1 KKGF COc1cc2c3c(c1)O[C@](c1ccccc1Cl)(c1cc(Cl)ccc1NC(=O)CBr)[C@@H](C2)C3=O 587414452 VPWAUKWSCKCUSQ-AVRWGWEMSA-N 547.232 6.027 50 1 KKGF CCCc1c(O)ccc2c1O[C@@](c1cc(C)n(-c3ccc(OC(F)F)cc3)c1C)([C@H](C)Cl)CC2=O 587466377 NKJHQCHUXGBRTP-CBZJRKILSA-N 503.973 6.842 50 1 KKGF COc1cccc(C(=O)[C@H](Br)[C@@]2(c3cccc(OC)c3)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587670264 JQMFPLYDPRYPGG-BXUPLMHSSA-N 577.288 6.030 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccc([N+](=O)[O-])cc2)(C(Br)Br)N1 587670465 KPPQVVZILKHNBR-VVVCHXIZSA-N 537.021 5.390 50 1 KKGF CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(Cl)C4=C[C@]5(C[C@H](CCl)[C@]4(C)[C@H]3CC[C@@]21C)N[C@@H](C)Cc1cc(Br)c(F)cc15 587684242 KLKGNWUBLXJGOX-OGJDEFQISA-N 667.487 7.979 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)n1-c1ccc2c(c1)OCO2 587690013 YQTTYIYEGRWVTR-RZFZLAGVSA-N 505.815 5.741 50 1 KKGF CC(C)(C)[C@]1(/C(C#N)=C\Nc2nc(-c3ccccc3)cs2)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962636857 JXTPSLJCBQJAAK-VPLSOLGBSA-N 537.689 6.218 50 1 KKGF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@]2(CBr)c1ccc2ccc3cccc4ccc1c2c34 962718134 XPMPBTUZYRZWCG-RCRUUEGKSA-N 530.506 7.725 50 1 KKGF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)[C@@]1(CBr)c1ccc(F)c(F)c1Br 963061579 FBUMJWPFSPKVOY-LZJCXSABSA-N 644.307 5.845 50 1 KKGF CC1=C(C#N)[C@H](c2ccccc2)C2=C(CC(C)(C)C[C@]23N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc23)N1 963172544 DBJHACNXXXZBEP-ZXDNMGRFSA-N 542.001 6.412 50 1 KKGF COC(=O)[C@@H]1Cc2ccc(O)cc2[C@@](CSC#N)(c2ccc3ccccc3c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963363369 CHVSWZALCBWMHL-ZGAWMTGXSA-N 626.734 7.352 50 1 KKGF CCCCCCCCCCCCSC[C@H](NC(C)=O)[C@]1(CCl)c2ccc(C)cc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963862775 GVNBTERPTSTZOK-CIYYUPPYSA-N 639.343 8.224 50 1 KKGF O=P(c1ccccc1)(c1ccccc1)c1cccc2c(-c3ccccc3)cc(-c3ccc(C(F)(F)F)cc3)nc12 1857640708 MYRHZZCTZWBBLI-UHFFFAOYSA-N 549.532 8.227 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@H]1SS[C@H]3C=CC[C@@H](CC[C@H]4c5cc(O)ccc5-c5c(OCCO)cc6c(c5[C@H]4CO)[C@H]1[C@@H](O)[C@H]2O6)C3 2356353298 LGWOLFWIBUZOPJ-RVMZDGOYSA-N 730.901 6.343 50 1 KKGF C[C@@H]1CC=C[C@]2(C1)CC1(CCCC1)C[C@@H]1[C@H]3Cc4cc(O)cc(c4)Cc4ccccc4CN[C@H](C)CSS[C@@H]4C=C[C@@]12C[C@H]4C3 2356356987 PJYPVJDDTCAMNC-VRLKYFRUSA-N 640.015 10.293 50 1 KKGF CNC[C@@H]1CC[C@H](Oc2cc3c(cc2O)[C@H](CCO)SSC[C@H](O)[C@H](Cc2cc(OC)c(O)c(OCO)c2)[C@H](O)C[C@@H](OCO)CC3)C[C@@H]1CCC(C)C 2356366855 RNSOXIUYHBTONR-FRCVYTGYSA-N 798.074 5.311 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)C1(CC=C(C)CN[C@H](C)CCOC)CCCC1 2356370981 VJTCLUVVYOVFJI-GZJMMBNSSA-N 685.003 5.725 50 1 KKGF CNCc1cccc(C[C@@H]2CNC(=N)N[C@]23CCCC2=C4C[C@H]5C[C@@H](CO)[C@H](CCCO)[C@@]4(CC2=O)[C@@]5(C)CCSSC32CCCCC2)c1 2356444503 XXPUOYJGHYAFTK-XCRYKYKLSA-N 709.079 6.772 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(C3CCCCC3)=C[C@@H]12 2356590638 XDUHFRYJWIGXKR-JFPCKSKWSA-N 750.936 5.241 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NC1CCCCC1)c1ccc(NCC(C)=O)c(CO)c1)CC(=O)CC2 2356607134 BDDQNHGNMVFAHA-PLFIQYPESA-N 803.056 8.354 50 1 KKGF CNC[C@@H]1CC[C@]2(C1)CN1C(=O)[C@]23[C@H](CCC[C@H]3CO)CSS[C@H](O)[C@@]23C[C@H](O)[C@H](O)C[C@]2(C)[C@H]2C[C@@H]4C=CC[C@](O)([C@@H]5O[C@@H]5[C@H](C)C(C)C)[C@H]5CC[C@](O)(C2=CC3=O)[C@]54CCc2cc(O)cc1c2 2356608044 ASEWKJIOKJOKEW-CZXZGKASSA-N 991.367 6.317 50 1 KKGF CCCC[C@H](Cl)CCCC[C@H](C)[C@H](OC(C)=O)c1cc(O)c([C@H](CCCC)CCCC[C@@H](C)[C@@H](OC(C)=O)c2cc(O)cc(O)c2)c(O)c1 2356714672 GTRRNAAYKNENPF-VHYALUCBSA-N 705.373 10.882 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(CSSC[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]26[C@@H]1CC[C@]46O)[C@H]1CCC[C@@]35C[C@@H](O)[C@H]1O 2356774483 ZAZMBIUDLHJPDU-LMPXOBTKSA-N 874.219 7.555 50 1 KKGF O=C[C@]12OCSSC[C@H](C3=CCN=C3)[C@H]([C@@H]3CC#CCC[C@H]4C=CC(=CC3)c3ccccc34)CNC[C@]1(O)[C@H](Oc1ccc3c(c1)OCC(=C1C=CC(O)=C[CH-]1)C3=O)O[C@@H](C(=O)O)[C@H]2O 2356827694 IOMYCSSPZIWQSL-BQXIREJISA-N 918.079 6.125 50 1 KKGF CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cc(OC)ccc1OC)C(=O)[C@@H](C)Cl 16570138 KKSBCTWNGZQTPG-XHCCPWGMSA-N 510.034 5.187 50 1 KKGF O=C(CN1CCCCC1)Nc1cc(COC(=O)CCCCBr)cc(Nc2ccnc3cc(Cl)ccc23)c1 26674351 HQBPUCBZHPJVBQ-UHFFFAOYSA-N 587.946 6.665 50 1 KKGF C=C(CC[C@H](OS(=O)(=O)O)[C@@]1(C)CC[C@H](C(C)(C)O)O1)[C@H]1CC[C@H]2O[C@@H]([C@]3(C)CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 72177676 XPFSDJHOHZEAIC-SSPRHXJNSA-N 667.700 5.816 50 1 KKGF Cc1ccc([P+](Cc2ccc(S(=O)(=O)c3ccc(C[P+](c4ccc(C)cc4)(c4ccc(C)cc4)c4ccc(C)cc4)cc3)cc2)(c2ccc(C)cc2)c2ccc(C)cc2)cc1 95551777 MKVAGTMQNNHZTH-UHFFFAOYSA-N 853.061 11.358 50 1 KKGF O=C1c2ccccc2C(=O)N1CCO/C(=N\c1ccc(Cl)c(C(F)(F)F)c1)SS/C(=N/c1ccc(Cl)c(C(F)(F)F)c1)OCCN1C(=O)c2ccccc2C1=O 150612359 UKEVKNWVCVPUSI-NCOOAAOESA-N 855.622 9.713 50 1 KKGF C=CCO/N=C(\C[C@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3)[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@@H](C)CC[C@@H]([C@@H]1C)[C@]24OO3 169294100 WGDOECSYODBCCA-DFVMUQPWSA-N 631.807 6.436 50 1 KKGF C=CCOC(=O)N(C)C[C@H]1OCCCC[C@H](C)Oc2ccc(NC(=O)Nc3ccccc3)cc2C(=O)N([C@@H](C)CO[Si](C)(C)C(C)(C)C)C[C@H]1C 195509002 PYOLVAIUYSGUBB-JRLXJTRMSA-N 725.016 8.410 50 1 KKGF C=CC1(C=C)CC[C@H](Cl)C(C)(C)[C@H]1C[C@@]12OC(C)(C)[C@H](Cl)C[C@]1(Cl)C(=O)c1c(cc(O)c(C)c1O)C2=O 238731650 ZGBUZWCVDVGBIE-VEVCGDGNSA-N 569.953 7.100 50 1 KKGF CCCNC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(C)CC1)OO2 254136623 ABAPNRUCCZDZNU-CNEXICNISA-N 675.904 7.184 50 1 KKGF C=C(c1ccc(Oc2cc(Oc3ccc(C(=C)[C@H]4COC5(CCCCC5)OO4)cc3)cc(Oc3ccc(C(=C)[C@H]4COC5(CCCCC5)OO4)cc3)c2)cc1)[C@H]1COC2(CCCCC2)OO1 299812295 PRFCTVHQZMWKLO-NPGPNXQJSA-N 901.062 13.125 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3cc(Br)cnc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190599 MCDRCINZUDBILC-MRUJLHLNSA-N 641.651 6.752 50 1 KKGF O=C(CBr)c1ccc(-c2ccc([C@@]3(CBr)CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cc1 587497858 DNGKWKJKFYKZMP-NDEPHWFRSA-N 568.305 7.066 50 1 KKGF CCOc1ccc(-n2c(C)cc([C@]3(CCl)N[C@H](C)Cc4ccc(F)c(Br)c43)c2C)cc1 587689706 VCWUVFVOGDTXLP-BZQUYTCOSA-N 505.859 6.411 50 1 KKGF Cc1cc([C@]2(CCl)c3ccncc3C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc2c(c1)OCCO2 962570263 KSYYDIFLMUMCKO-BYHBGFKFSA-N 676.169 7.003 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@]1(CCCCl)c1ccc(O)cc1 963000574 YIADGTMOKFOKJK-LJAQVGFWSA-N 542.459 5.983 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc(OC(F)F)cc1)[C@@H](Cl)C(=O)c1ccc(OC(F)F)cc1 963028075 BZRATSRVSSCQJA-LITSAYRRSA-N 574.958 6.326 50 1 KKGF O=C(O)[C@H]1Cc2ccc(F)c(F)c2[C@](CBr)(c2ccc(Br)cc2F)N1C(=O)OCC1c2ccccc2-c2ccccc21 963042313 RKAAJJKESLTZMT-ZUKKLESISA-N 701.333 7.765 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@]([C@H](Cl)C(=O)c2ccc(F)cc2)(C(F)(F)F)N1C(c1ccccc1)(c1ccccc1)c1ccccc1 963087787 BPMJJOGZVINDID-KOLSLRSOSA-N 658.091 8.377 50 1 KKGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CBr)(c2ccc(CBr)cc2)N1C(=O)c1ccccc1 963413483 IJDHMYORBVUCHO-WNCULLNHSA-N 582.292 5.853 50 1 KKGF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@]1(CCCCCl)c1ccccc1C(F)(F)F 963685035 FQNJFUXJDIMVPP-QXTIUPHPSA-N 575.027 5.472 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@@](CCCCCl)(c2ccc(F)c(Cl)c2)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963938726 OVBOHCLLCBLDTA-FJAFSATFSA-N 708.749 7.269 50 1 KKGF C[C@H]1[C@@H]2CC[C@]3(C)OO[C@@]24[C@@H](C[C@H]1O)[C@@H](C)[C@H](OC(=O)c1cccc(SC2CCCCC2)c1)O[C@@H]4O3 1772592689 OXNCLGUKNXSIFZ-MGMUUMBZSA-N 518.672 5.447 50 1 KKGF Cn1cc2c(nc(=NCCCOCCOOCCCCCNC(=S)Nc3ccc(-c4c5ccc(=O)cc-5oc5cc(O)ccc45)c(C(=O)O)c3)n3nc(-c4ccco4)nc23)[nH]1 1772641301 NRZLTNQUDGJDTN-UHFFFAOYSA-N 847.911 5.899 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCOC(=O)/C(C#N)=C/c5ccc(C)cc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857568610 JCJPTURCLVZJQW-CQMVAVQPSA-N 663.855 8.615 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2cc(OC)ccc2Br)nn1 1857629547 WNNFJIWORWUWAG-AAEPQHRVSA-N 598.582 6.845 50 1 KKGF C=C1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@H]1C/C=C(/C=O)CC(=O)OCc1cn(Cc2ccc(Cl)cc2)nn1 1857636553 GQCDHQYNDPEVLB-XJTLHGHDSA-N 524.105 6.727 50 1 KKGF CC(C)Cc1cc(-c2oc3cc(O)c4c(c3c(=O)c2O)O[C@H]2C[C@H]3c5c-4cc(CCCO)c4cccc(c54)[C@@H](SSCCC[C@@H]2O)[C@H]3O)cc(Cc2cccc(O)c2)c1O 2356293035 ZPOZSRMKOOJSFP-GJAGAFAVSA-N 849.036 9.003 50 1 KKGF CNC(=N)N[C@@H]1CSSC[C@@H]2[C@H]3CC[C@@H](CCc4oc(CCc5ccc(O)c(OC[C@H](O)c6cc7c([nH]6)[C@H]6C=C[C@@]8(CCC[C@@H]8C6)[C@@H]7CNC[C@@H](C)O)c5)cc4CO)C[C@H](C[C@H]2N)[C@@H]3CC[C@H]1C 2356355137 BYOYATFDDOHPHP-UKYHOQNLSA-N 973.404 8.453 50 1 KKGF CNC(=N)N[C@@]12CCC[C@@H](C1)Oc1cc(ccc1O)C[C@@H]1[C@H](C=C[C@H]3[C@@H]1O[C@@H](c1cc(O)c(O)c(OCCc4cccnc4)c1)C[C@H]3OC(C)=O)SSC2 2356361365 ZVXOQNXYVZAKPZ-MWXMUUBDSA-N 776.978 6.194 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNc4cc(ccn4)C4(CCCC4)C[C@]4(O)[C@H](O)[C@H](O3)O[C@@H](CO)[C@H]4O)C(O)=CC(CC3CCCCC3)=C[C@@H]12 2356422265 KVINWTVMYISUJO-YMJIZAFPSA-N 764.963 5.631 50 1 KKGF CC[C@H](CC=O)CC[C@@H]1C=CC(=O)[C@]2(Cc3ccc(O)c(OC)c3)[C@@H]3CC[C@@H]2C=C[C@H]3SSCNC(=NC)Nc2cc(cc(O[C@]3(CNC)CC[C@@H](C[C@H](O)OC)C3)c2O)C12CCCC2 2356450968 PYVKZEPYFHMRAI-CDIQMKLYSA-N 933.291 9.081 50 1 KKGF CC1(C)CC[C@]2(C(=O)OC(=O)[C@]34CCC(C)(C)CC3=C3C=C[C@H]5[C@](C)(CC[C@H]6C(C)(C)[C@@H](O)CC[C@]65C)[C@]3(C)CC4)CC[C@]3(C)C(=C2C1)C=C[C@H]1[C@]3(C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@]21C 2356473574 JVALCPRTFRUDPB-YSUPXILCSA-N 891.375 14.222 50 1 KKGF C[C@@]12CCSSC[C@]3(CCCC4=C5C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]52CC4=O)NC(=N)NC[C@H]3Cc1ccccc1 2356499061 QQQVNLHZIGNJSW-BQBXLVTFSA-N 597.891 5.350 50 1 KKGF COc1ccc(O)c2c(=O)c3c(OC)cc4c(c3oc12)[C@H]1C[C@@H](O[C@H]2CC[C@]3(C)[C@H]5CC[C@]6(C)[C@H]([C@@H](C)C=C[C@@H](C)C(C)C)CC[C@H]6[C@]56C=C[C@@]3(C2)OO6)O[C@H]1O4 2356717102 HCBLZWNIJGQSSM-GONQXBFFSA-N 782.971 9.729 50 1 KKGF C[C@@]12CCSSC3(CCCCC3)[C@]3(CCCC4=C5C[C@H]1C[C@@H](CO)[C@H](CCCO)[C@]52CC4=O)CCNC(=N)N3 2356728960 YRCVCRIVUZAGHJ-CMDSNALQSA-N 575.885 5.584 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3CC[C@H]4[C@@H](CSS[C@H](CO)c4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@@H](CO)[C@@H](CCCO)[C@]42CC3=O 2356779934 ZJGVHPZHYQGHNK-WEKDKETHSA-N 774.153 6.058 50 1 KKGF CCC=CCC=CC=CC=CC=C[C@@H]1OC(=O)CC[C@H](Cl)C=C[C@H](O)[C@@H]1O[C@@H]1C[C@H](O)[C@H](O[C@@H]2C[C@H](C)[C@H](O[C@@H]3CC[C@H](C)[C@H](O)O3)[C@H](C)O2)[C@H](C)O1 2356791083 GJUOJLYCKBKRHR-GBYQBOAVSA-N 765.381 6.311 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@H](CC)CN3C(=O)CC3=CN[C](N)C=C3[C@@H]2[C@]12Cc1cc3cc(CCCO)c(=O)oc3cc1O2 2356855676 RDTMUXOWDLDPNA-NTWSLGBESA-N 732.945 5.490 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CN[C@H](O)[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)O[C@H](C(=O)O)[C@H](O)[C@H]2OCSSC[C@H]1c1cc[nH]c1 2356856278 RZJAKKCBCURJHR-HEYHSHSKSA-N 845.005 6.122 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cc(Cl)ccc3n2C)c(C(=O)Nc2ccccc2)c2cc(Cl)ccc21 26161504 QQYQXWACNBHSDE-UHFFFAOYSA-N 631.610 9.281 50 1 KKGF CNCc1cccc([C@@H]2C=C[C@H]3CCC4=C5C[C@H]6C[C@H](CO)[C@@H](CCCO)[C@]5(CC4=O)[C@@]6(C)CCSSC[C@]34N=C(N)NC[C@@H]24)c1 85549252 GLFRRUZICYOJRP-BKISFOQDSA-N 664.982 5.197 50 1 KKGF biogenic,in-vitro CSS/C(CCOC(=O)[C@@H](N)C(C)C)=C(/C)N(C=O)CCCCCCCCCCCCN(C=O)/C(C)=C(/CCOC(=O)[C@@H](N)C(C)C)SSC 95551526 SLLSLLQVNWPHHE-MCRKZSCYSA-N 779.214 8.123 50 1 KKGF C[C@]12CC[C@@H]3c4ccc(OCCBr)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O 103252477 UISBLJVDNHKLOD-FBYVMBLTSA-N 512.488 5.245 50 1 KKGF CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCCCCCN=C=S)CC[C@]4(C)[C@H]3CC[C@@]21C 118933905 QGWGVBRWMAFYLJ-PWAICBBHSA-N 527.903 10.076 50 1 KKGF CC(C)(C)[Si](C)(C)OC[C@@H]1O[C@H](n2cnc3c(=O)nc(N)[nH]c32)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1O[Si](C)(C)C(C)(C)C 195772989 AMSWKXJXTYPJKN-FVLCUVFVSA-N 626.036 6.402 50 1 KKGF O=C(CC[C@@]1(C[C@@H](OC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3)NCCCN1CCCC1=O 197912399 PTFZYEJKQVBHPZ-XWYFRKJNSA-N 700.660 7.409 50 1 KKGF CCC1CCC2(CC1)OOC1(CC[C@]3(C)[C@H]4C[C@H](OC(C)=O)[C@]5(C)[C@H]([C@@H](C)CCC(=O)NC)CC[C@H]5[C@@H]4[C@H](OC(C)=O)C[C@@H]3C1)OO2 299847074 GJBAPQBREOYJGS-YPQCADPRSA-N 661.877 6.794 50 1 KKGF CCNC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCC[C@H]1C)OO2 299847346 OEIYREHGGKGWIL-CKYYUAAMSA-N 661.877 6.794 50 1 KKGF Cc1cc(/C=C(/C#N)c2nc3ccc(I)cc3[nH]2)c(C)n1-c1cccc(Cl)c1Cl 587054142 CRJMVHAPKGQBON-DHDCSXOGSA-N 533.200 6.946 50 1 KKGF CCCc1c(O)ccc2c1O[C@](CCl)(c1cc(C)n(C(c3ccccc3)c3ccccc3)c1C)CC2=O 587459229 HCDJUFICYOKQPA-JGCGQSQUSA-N 514.065 7.500 50 1 KKGF O=C1C[C@](c2ccc(Br)cc2)(C(Br)Br)Oc2c1ccc1c2CCCC1 587501979 ZQIUPMJYXIPMSL-FQEVSTJZSA-N 529.066 6.305 50 1 KKGF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CBr)c1cc(-c2ccc(Cl)cc2)no1 587538099 NINBPHVUJKKIFK-ZJSXRUAMSA-N 512.743 5.953 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)([C@@H](Br)[C@@H](Br)c2ccccc2)N1 587669870 GMRGSYYSEZJZCE-VXLRGBRMSA-N 582.149 7.266 50 1 KKGF Cc1cc([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)n1-c1ccc(C(C)(C)C)cc1 587689872 XMJHYEACXHQISA-OQRWROFFSA-N 517.914 7.310 50 1 KKGF CC#C[C@]1([C@@H](C)O[Si](C)(C)C(C)(C)C)c2cc(F)c(F)cc2C[C@H](C(=O)O)N1C(=O)OCC1c2ccccc2-c2ccccc21 963032473 JLGLSMNPLLQEQD-MBDGOUTESA-N 631.792 7.854 50 1 KKGF Fc1cccc2c1[C@@](CCCCCCCl)(c1ccccc1I)N1CCC[C@H]1C2 963099471 HKRKURIUVILMLY-YADARESESA-N 511.850 6.884 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@@](CBr)(c2cccc(C(F)(F)F)c2)N1 963169583 GSKYOBBIOOPWKX-HJIQQCSTSA-N 686.572 7.624 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCc3cn(-c4ccc(C(=O)N5CCCC[C@H]5C)cc4)nn3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 1857610732 LDMNRFAJSYRLRK-VADODWTOSA-N 566.699 5.007 50 1 KKGF Cc1ccc([C@@H]2C(C#N)=C(NC(=O)C(F)(F)F)OC(c3ccccn3)=C2[S@@](=O)c2ccc(C)cc2)cc1 1857640628 OFWJLUQLWCADAZ-TXQSWDKBSA-N 523.536 5.403 50 1 KKGF Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3c2cccc3P(c2ccccc2)c2ccccc2)cc1 1857763462 PJJREZKNJXHGKD-ZWXJPIIXSA-N 501.585 7.581 50 1 KKGF C=C(C=CC=C(COCCO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356353183 JOWRNSPRQGHFFE-KOQHIGAZSA-N 871.213 6.477 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSS[C@H]1C[C@H]3C=C[C@H]1C[C@H]3[C@@H](O)CC(=O)CC2 2356367349 AZHHIJCRZPADGX-KQNLKNRLSA-N 548.726 6.655 50 1 KKGF CN[C@@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 2356368163 IWJZAMRVRGKBAS-FADDAYQUSA-N 718.938 7.680 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2C=C[C@@H]2CCC[C@@H]2O3)CN2C(=O)C[C@@H](CCNC(=N)NCSSCCCCCC[C@H](O)C1)[C@@H]2CCC(C)C 2356370217 NJOQOVRXKKKSQC-KYJPNVSHSA-N 759.092 7.542 50 1 KKGF CCCCC[C@H](C)CC[C@@]12C=CC(=O)CCc3ccc(O)c(c3)OCCc3ccc(O)c(c3)[C@@H]3CC(=O)c4cc[nH]c4CC#Cc4cc(C(N)N)c(cc43)CSSC[C@@H](C1)[C@@H](O)C2 2356370611 RXJMNHNHEZMLKJ-JUNLJGSNSA-N 890.225 9.983 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSCCCC[C@H](O[C@@H](NCCCCO)c1ccc(NC[C@@H](C)O)c(CO)c1)CC(=O)CC2 2356461809 VHABTLWTFGCFGT-FKIYWAFNSA-N 779.034 7.615 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@]1(C)CCC=C(C)[C@H](O)CC=C(C)CCC=C(C)C 2356489083 JELCKWIUSSGOOT-NHZVJSLQSA-N 741.195 13.424 50 1 KKGF CCCCCCNC[C@@H]1CC[C@]2(C1)C[C@H]1[C@H](C[C@H]3CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@H]1C3)[C@@]1(C=CC[C@H](C)C1)C2 2356635144 SWBWOWATQRACIR-JNEUISECSA-N 729.197 11.380 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@@H](NCCCC1(O)CCCC1)c1cc(CO)c(NCC(C)=O)cc1CCCO)CC(=O)CC2 2356679697 CZHRPEINYJEVAY-MWSOSUEESA-N 905.189 8.032 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCC6(O)CCCCC6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@H]2O)cc(OC)c1O 2356779607 BVVWXPAYTNCMMK-DVIUXCMASA-N 970.345 8.230 50 1 KKGF CCc1ccccc1C=CC[C@H](C)[C@@H]1CNC[C@]2(O)[C@H](Oc3ccc4c(=O)c(-c5ccc(O)cc5)c(C(N)=O)oc4c3)O[C@H](C(=O)O)[C@H](O)[C@]2(C=O)OCSSC[C@@H]1c1cc[nH]c1 2356826858 HKUMPBZKBNEBMN-SCTJCZKBSA-N 900.041 5.471 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@@]4(CC)C[C@H]5C=C[C@H]4C[C@@H](C5)[C@H]3O)C=C12 2356848448 PEVSTNDDAMBYLI-PIEKIDEJSA-N 854.192 6.747 50 1 KKGF COC1=C(C)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@H]5C[C@@]6(CC[C@@H](CSSCC7=CC[C@H](C)C[C@@H]7[C@H](O)[C@@H]53)C6)[C@@H]4c3ccccc3)[C@H]2[C@@H]1C 2356851243 QFLIKEMRYNDTJF-XUEPWLRDSA-N 716.022 8.623 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3CC[C@@H]3CCC[C@H]3O4)CN3C[C@@](CC4=CCNC(N)=C4)(CC3=O)[C@H]3C#CC[C@H]4CC[C@@]5(CCC[C@@]5(NC(=N)NC3)SSCCCCC[C@@H](CC1)[C@H](O)C2)C4 2356859373 STVBKEAOVKTLOC-QKEFCNAISA-N 969.372 8.479 50 1 KKGF CCCC[C@H]1[C@@H](C2=CCN=C2)CSSC[C@@H](c2ccc(O)c(OC)c2)CC(=O)C[C@H]1OC(C)=O 2356861896 UUVUHJSOZYVDPS-FDHFVPJWSA-N 505.702 5.594 50 1 KKGF Cn1c(SSc2c(C(=O)Nc3ccccc3)c3cccnc3n2C)c(C(=O)Nc2ccccc2)c2cccnc21 14944348 HCTZFBVISJHBHE-UHFFFAOYSA-N 564.696 6.764 50 1 KKGF O=C1[C@@H](Cl)[C@H](c2ccccc2Cl)N1NCc1nc2ccc(Br)cc2c(=O)n1-c1nc(-c2ccc(Cl)cc2)cs1 28873535 UUKNORQZGYMTDU-ZEQRLZLVSA-N 661.796 6.774 50 1 KKGF COc1cc(/C=N/NC(=O)c2ccc(O)c(Cl)c2)cc(OC)c1OCc1cccc(C(F)(F)F)c1 29126237 OXZCCBNMAQNRMF-XKJRVUDJSA-N 508.880 5.425 50 1 KKGF CN(C)C(=O)C[C@H](CSc1ccccc1)Nc1c(C(=O)N/N=C/c2ccc(Br)s2)cnc2ccc(F)cc12 49767484 NQLLVAWJFVFSSL-OLTNUIHHSA-N 614.566 6.013 50 1 KKGF O=C1[C@@H](Cl)[C@@H](c2ccc(Cl)cc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccc(Br)cc2c1=O 49850492 OVBLSEULFQICCP-LEWJYISDSA-N 630.311 5.377 50 1 KKGF COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCl)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 66259861 YEQSNXWJRBVKPG-UNXQSWAQSA-N 561.203 7.291 50 1 KKGF COC(=O)[C@H](CCSSCC[C@H](NCCC(=O)c1cc2ccccc2s1)C(=O)OC)NCCC(=O)c1cc2ccccc2s1 72113951 SBPJLWYRYACUBK-ZEQRLZLVSA-N 672.916 6.386 50 1 KKGF COc1ccc2nc(Oc3ccc(C#N)cc3)c([C@H]3C(C#N)=C(N)N(c4cccc(C(F)(F)F)c4)C4=C3C(=O)CCC4)cc2c1 96907839 UVFLAFUIVYYDOU-PMERELPUSA-N 607.592 7.231 50 1 KKGF CN1[C@H]2CC[C@H]1[C@@H](C(=O)OCCc1ccc(NC(=O)CBr)cc1)[C@@H](c1ccc(Cl)cc1)C2 100646728 VIJCKBVNOPJBOC-KHUIQGCPSA-N 519.867 5.026 50 1 KKGF CCOP(=O)(OCC)C(F)(F)[C@@]1(C(F)(F)F)C(C#N)=C(N)N(c2cccc(C(F)(F)F)c2)C2=C1CCC2 103950648 DMPWBOYAENKKLW-LJQANCHMSA-N 559.394 7.065 50 1 KKGF CCCCCCCCCCCOC(=O)CCN1SSN1CCC(=O)OCCCCCCCCCCC 138277203 MZEVVOSMLNUDRX-UHFFFAOYSA-N 546.884 8.659 50 1 KKGF C/C=C(\C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3[C@@H](CNC)CN3C(=O)Cc3cnc(N)cc3[C@H]2[C@]12Cc1cc3cc(C[C@H](CO)CC[C@H](O)CCC(C)C)c(=O)oc3cc1O2 150345900 WBPXDCQQMMWEBK-UUDAFMIRSA-N 875.167 6.538 50 1 KKGF biogenic,in-vitro O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1SSc1ccccc1N1C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C1=O 169336394 ACUFDVOLVXEBHR-PNZLJXJZSA-N 764.928 9.279 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCSSc1ccccc1)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@@H](OC)/C=C\C=C(\C)C2 169354573 RWPJHYYGAGYJMG-QQGCFMLISA-N 846.465 6.345 50 1 KKGF CCCCOc1cc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2cc1Br 587009877 WVLDPRDMMLYUCG-FQEVSTJZSA-N 503.828 5.624 50 1 KKGF Cc1c(I)cnn1[C@@H](C)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587182203 MWLDUYPIIWCEPJ-ZETCQYMHSA-N 557.124 6.702 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587841918 SMWCJJAJWDPABX-LGIRGXTLSA-N 565.936 5.455 50 1 KKGF C[C@H](Br)[C@]1(c2ccccc2F)c2ccccc2C[C@@H](C(=O)O)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962717789 VLHWNKZIXNSJHV-ZCFRJRTISA-N 692.576 6.969 50 1 KKGF C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@]1(C2=O)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963014562 IYIJTQORCXNQTC-HXLFVSCUSA-N 569.883 5.569 50 1 KKGF O=C(O)[C@H]1Cc2cc(F)c(F)cc2[C@](CCCCCl)(c2ccc(F)c(F)c2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963041181 QQOMXJLFVJQNGY-LDNVYYCDSA-N 638.057 8.156 50 1 KKGF COc1cccc2c3c(cnc12)CCN[C@@]3(CBr)c1cc(-c2ccc(Cl)cc2Cl)no1 963067995 PSSSIGFIDSZJDW-QHCPKHFHSA-N 519.226 5.989 50 1 KKGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@]2(N1)c1cc(Br)ccc1OCC[C@H]2Br 963191210 OOFBBEYHRIMFJA-OHNRDTAOSA-N 569.599 5.510 50 1 KKGF CC1(C)C(=O)N(c2ccc([N+](=O)[O-])cc2C(F)(F)F)C(=S)N1c1cccc(S(F)(F)(F)(F)F)c1 1857616916 KYHSIRVVNFCCEX-UHFFFAOYSA-N 535.438 7.188 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC[C@H](CC5(C[C@H](O)CO)CCCC5)[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@@H]1O)C4 2356292692 ULAIEBGPDXGCBG-XABMLOJXSA-N 960.272 8.460 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@@]14CC#C[C@]56C=C[C@](O)(CO)C[C@]5(CCC6)CC[C@@](C=CC(=O)CCc5ccc(O)c(c5)OCCc5ccc(O)c(c5)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)(C[C@H]1O)C4 2356352300 QWYWGHFWVFZVAH-MYOMPXCHSA-N 994.289 8.384 50 1 KKGF COc1c(O)ccc2c1C#CCc1cc(c3c4c1OCNC1(CC#C[C@@H]5NC(=N)N[C@H](C(C)C)CSSC[C@H]5[C@@H](CO4)C3)CCCC1)CC[C@H](O)CC(=O)CC2 2356354855 BJUOAJXOWWUOMS-JKJLWJHYSA-N 801.088 5.909 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1[C@H]1CC[C@@H](C[C@H](O)CSS1)[C@H](O[C@@H]1N[C@H](CCC3(O)CCCCC3)CC[C@H]3c4c1cc(CO)c(NCC(C)=O)c4CC[C@H]3CO)CC(=O)CC2 2356367544 AWIKEZZZALCXLX-VEOJIURLSA-N 997.330 9.858 50 1 KKGF CC(C=CC=C(C)C=CC1=C(C)C[C@H](O)CC1(C)C)=CC=CC=C(C)C=CC=C(C=O)CC[C@@H]1C(C)=C[C@H](O)CC1(C)C 2356375636 FJWGLEVADWWUFR-CYAOVYSGSA-N 584.885 9.806 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@@H]1CC=C(C)[C@H](O)N[C@](C)(CCOC)Cc2cccc(c2)[C@@H]1CCc1ccccc1 2356432843 OKKHNYIDVWNDBX-GZHDCGCISA-N 853.198 7.442 50 1 KKGF NCC[C@@H]1[C@H]2C=C[C@@H](Cc3ccccc3CSSC[C@H](Cc3ccccc3)[C@H](CC=CCCC3CCCCC3)C2)[C@H]1CC(=O)O 2356718481 XMIDDVAVRMYXNM-USQDTLBVSA-N 646.019 10.154 50 1 KKGF CCCC[C@@H]1[C@H](OC(C)=O)CC(=O)C[C@H](c2cc(O)c(Oc3cccc(O)c3)c(OC)c2)CSSC[C@H]1c1cc[nH]c1 2356765033 JTXNNPCWHJTCPI-QMFGGXMDSA-N 613.798 7.577 50 1 KKGF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356775164 IQHCIWLSMGZPFG-UVGVOFSESA-N 597.887 6.605 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNC3=CC(=CCN3)C2)CCCC1 2356874683 YYCRSMFCPXCHJB-UYMHJYRHSA-N 705.987 6.894 50 1 KKGF C[C@@H]1CC(C)(C)N[C@H](C[C@@H](OP(=O)(N(CCCl)CCCl)N(CCCl)CCCl)c2ccccc2)O1 14243555 GMWDETSLGDDKSS-FCEUIQTBSA-N 577.361 6.305 50 1 KKGF CN(C)CCOc1ccc2[nH]c(C(=O)N3C[C@@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)cc2c1 26493990 PBXYPZFSTAWUKF-HSZRJFAPSA-N 642.112 6.901 50 1 KKGF NC(=O)[C@@H](Cc1c[nH]c2ccccc12)N(N)C(=O)[C@H](CCCc1ccccc1)C[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)CNc1cccc(Cl)c1 26576831 WYBFHVSAXDKMJV-XRPNUCPZSA-N 743.245 5.627 50 1 KKGF CC(=O)O[C@H]1C[C@H]2[C@H]([C@@H]3CC[C@H]([C@H](C)CCC(=O)NCCN(C)C)[C@@]13C)[C@H](OC(C)=O)C[C@@H]1CC3(CC[C@]21C)OOC1(CCCCC1)OO3 49780168 ONINQKZLQSPUGV-CEAZGKQPSA-N 690.919 6.089 50 1 KKGF COc1ccc(/C=N/NC(=O)Cn2c(-c3ccc(OC)cc3)cc(-c3ccccc3)c2-c2ccccc2)cc1 66098008 UVXBOHYDHDMXOD-PPOKSSTKSA-N 515.613 6.657 50 1 KKGF O=C(Cc1ccc(OCCBr)cc1)c1c(O)cc(OCCBr)cc1OCCBr 71294778 XDIVWYIFFBROTA-UHFFFAOYSA-N 581.095 5.139 50 1 KKGF CC(=O)O[C@H]1C[C@@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@@H]([C@H]2CSSC3(CCCCC3)[C@H]3CCC[C@H](C3)Oc3cc(ccc3O)C2)C1 85597215 WAJUTDNDCDQOAK-VDXLZPMISA-N 749.992 8.866 50 1 KKGF biogenic,in-vitro CCCCCCCC/C=C\CCCCCCCCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@H]2[C@@H]([C@@H](C)C(=O)N(C)OC(=O)N(CCCl)CCCl)CC[C@H]23)C1 95551480 QPXOZGQIANIWMT-AHZYDVEUSA-N 808.029 12.440 50 1 KKGF O=C(CCCCCCC(=O)Nc1ccccc1O)N/N=C/c1cc(Br)cc(Br)c1O 95808506 KBEGWLOWFYWRMQ-ZMOGYAJESA-N 541.240 5.052 50 1 KKGF CSSCCC(=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)c2cc(F)cc(F)c2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@H](C=C(C)C)NC(=O)OC(C)(C)C)C(C)=C1C2(C)C 169359635 QKLYFTAEFXPVOF-DDQWWYRKSA-N 956.089 5.084 50 1 KKGF CCCCCCCC[C@H](OS(=O)(=O)O)[C@H](Cl)CCCCCCCCCCCCOS(=O)(=O)O 169621800 IENDHJUGFNARNE-YADHBBJMSA-N 537.181 6.643 50 1 KKGF COc1cc(OC)c([C@H](C#CCCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)CC(=O)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)c(OC)c1 211522723 PRLFQHHCWWXLCB-WJOKGBTCSA-N 689.054 10.473 50 1 KKGF COC(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2CC=C(C)[C@@H]3C=C[C@@H]4[C@@H](OCc5ccc(OC)cc5)[C@@H](C)C[C@H](C)[C@H]4[C@]3(C)C(O)=C3C(=O)O[C@]4(CC(C=O)=C[C@H](OC(C)=O)[C@H]4C=C2C)C3=O)C[C@]1(C)[N+](=O)[O-] 253952386 ZMYCLKSPUUAQFN-IQBWAAHZSA-N 945.072 7.011 50 1 KKGF FC(F)(F)c1nc2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)cc2[nH]1 587120815 WJRGYCGGGBPTAF-UHFFFAOYSA-N 507.204 7.545 50 1 KKGF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c(F)c2)c1 587147116 HFXXLBDGYTWSSM-UHFFFAOYSA-N 567.305 8.163 50 1 KKGF CSc1cccc(-n2c(C)cc([C@@]3(CCl)Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)c2C)c1 587377104 QOCAJALUZLUHON-LMSSTIIKSA-N 522.041 7.154 50 1 KKGF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccc([N+](=O)[O-])cc1)C(Br)Br 587538342 PFYAENJTZHQRCS-LAUBAEHRSA-N 535.144 5.273 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(Br)c1 587538893 HBZYQFAVCNFJOA-RPLLCQBOSA-N 538.825 6.658 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]3(C[C@@]21C)N[C@@H](C)Cc1ccc(F)c(Br)c13 587713497 DGOIJXKONXJIAA-QVCZVAFHSA-N 693.069 7.464 50 1 KKGF CCOc1ccc([C@]2(c3c(NC(=O)CCl)sc4c3CC[C@H](C)C4)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587858712 SXCNLMJULUUGQC-KRQILSMLSA-N 606.001 7.177 50 1 KKGF O=C(O)[C@@H]1Cc2cc(OC(F)(F)F)ccc2[C@](CBr)(c2ccc(C(F)(F)F)cc2C(F)(F)F)N1 962634090 JTXAKVWHWYOIHJ-DOTOQJQBSA-N 566.214 5.860 50 1 KKGF C[C@]1(c2cccc(N3Cc4ccccc4C3=NC(=O)CCl)c2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962714809 VRGSRKSNAWOYRU-WNCULLNHSA-N 559.947 5.239 50 1 KKGF C/C(NNC(=O)c1ccccc1)=C1\C(=O)c2ccccc2[C@]12NCC1(CCOCC1)c1cccc(C(F)(F)F)c12 962959785 QKBWLPQPFIGMSD-YOAKOGDNSA-N 547.577 5.005 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccc(OC(=O)[C@H](C)Cl)cc2)([C@H](C)Cl)N1 963158839 CQJQTCFCLQYONQ-XBNDPLJRSA-N 694.659 7.370 50 1 KKGF CC(C)[C@]1([C@H](C)Br)c2cccnc2CCN1C(=O)c1cc(C(=O)c2cccc(C(F)(F)F)c2)c[nH]1 963584074 SDOVMEKWUZDXGT-LMKMVOKYSA-N 548.403 5.993 50 1 KKGF CN(C)c1ccc(-c2nc(C(=O)N/N=C3\SCC(=O)N3c3ccccc3)cc3c2[nH]c2ccccc23)cc1 1772602063 XFUOQSRHZZZCIO-IYOYZZHUSA-N 520.618 5.230 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc(N)c(c2)[C@@H](Cc2ccccc2)SSC1 2356321964 JKAJGSVUUBCEFD-JCOAXYOVSA-N 576.784 6.996 50 1 KKGF CC=C(C)C(=O)O[C@]1(C)CC=C2CSS[C@@H]3CC[C@H](NC)[C@@H]4CN(C(=O)Cc5c[nH]c(=N)cc5[C@@H]2[C@@]12Cc1cc5cc(CCCO)c(=O)oc5cc1O2)[C@H]43 2356414482 XLLSOMQHTJKUJM-QPBCTNQDSA-N 772.990 5.096 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@]1(O)CC=C[C@@H]2C[C@H]3C4=CC(=O)[C@@]5(C[C@H](O)[C@](O)(CO)C[C@]35C)[C@H](O)SSC[C@@H]3CCC[C@H](CO)[C@@]35CCN(C5=O)c3cc(O)cc(c3)CC[C@@]23[C@@H]1CC[C@]43O 2356552471 QZCDTCUBNVZXQB-IYYQNEKPSA-N 924.232 5.064 50 1 KKGF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@]3(C)[C@@H]2CC[C@@H]2[C@H]([C@]4(C)C[C@H](Cl)[C@@](O)(C(C)(C)O)O4)CC[C@@]23C)C1(C)C 2356588079 HVGFSQLIBCTJOV-GRKSXAASSA-N 553.224 6.849 50 1 KKGF CN[C@H](O[C@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NCC(C)=O)c(CO)c1 2356666779 PCTCERRTFMFNGU-KLVSQCDISA-N 734.937 6.651 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@H](O)N[C@@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356763208 AZZSWXNOPOAGTH-DSLVKJMJSA-N 913.294 7.849 50 1 KKGF COc1c(O)ccc2c1-c1ccc3ccc(O)cc3c1CSSC[C@H](O)CC[C@H](O[C@H](NCCCCO)c1ccc(NC[C@@H](C)O)c(CO)c1)CC(=O)CC2 2356772970 NFLOEUQBEWZRCH-XBXNWFIXSA-N 795.033 6.586 50 1 KKGF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(C[C@@H]6CSS[C@@H]7CCC[C@H](O)[C@@H]7Nc7cccc(c7)C[C@H]6C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356827688 IOMHUFOOZJEAKK-CQKHBRBKSA-N 597.887 6.122 50 1 KKGF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2c(O)cc3c4c2CSSC[C@@]25CN[C@H](N)c6ccc7c(c62)[C@@H](C2=CN=C6CN(C=C26)[C@@H](O4)[C@@H](C#C[C@H]7O)C2(C#CO3)CCCC2)C2(CCCC2)C5)[C@H](O)C1 2356875682 ZSSUFHSHDSMKGG-WMBQAMBTSA-N 941.229 7.482 50 1 KKGF c1ccc(CNCCCCCCNCCSSCCNCCCCCCNCc2ccccc2)cc1 13861278 NDZRSYYYHXGKLK-UHFFFAOYSA-N 530.892 6.247 50 1 KKGF COC(=O)[C@]12CCC(C)(C)C[C@@H]1[C@@H]1C(=O)C=C3[C@@](C)(CC[C@@H]4[C@]3(C)C=C(C#N)C(=O)[C@@]4(C)CO)[C@]1(C)CC2 40538075 ZGPUQTWSPUOZQF-ORHBGCLTSA-N 521.698 5.351 50 1 KKGF CC(C)c1ccc(N(CC(=O)N/N=C/c2ccc(C(F)(F)F)cc2)S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 49918100 ATKDWDSVYATQGY-ROPCREHHSA-N 571.543 6.193 50 1 KKGF O=C(N/N=C/c1ccc(Cl)cc1)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1nc2ccccc2[nH]1 51092429 UOIFDDNRANCICK-OXUBWTJQSA-N 512.611 7.261 50 1 KKGF COC[C@@]1([C@H](CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)OOC2(O1)C1CC3CC(C1)CC2C3 64447687 CIKMTVLJLZPLNB-BPGZCCCPSA-N 620.787 5.919 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@@H](c3cc4cc(C)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84706072 PXUNUFCYIWQHKZ-RUZDIDTESA-N 514.029 5.969 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(C(=O)/C=C/c4ccccc4Cl)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 101798627 KONCBNVVBUNMMA-SDKYJPLCSA-N 569.094 6.840 50 1 KKGF CC(C)(C)[Si](OCCNC(=O)[C@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 170141204 DCTPWOAYWKVIJD-PSXMRANNSA-N 752.000 6.244 50 1 KKGF CCOC(=O)c1c(NC(=O)NC/C=C/c2ccc(O[Si](C)(C)C(C)(C)C)cc2)sc2c1[C@H](Cc1ccccc1)C[C@H](C(C)C)C2 195486516 PJEFXUVHAWNULU-QNDARKNKSA-N 646.970 9.688 50 1 KKGF C=C1CC[C@H](Br)[C@@]2(C)CC[C@H]3O[C@@]3(C)CC[C@@H](C(C)(C)O)OC(=O)c3ccc(O)c(c3)C[C@H]12 238736073 DRPSOKQUGMQRLO-MTROBDDWSA-N 521.492 5.699 50 1 KKGF C=C(C[C@@H]1O[C@@H]2O[C@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@]42OO3 299812239 KOUAFSJVPQQUPD-OMDDUFEWSA-N 588.782 6.824 50 1 KKGF COC(=O)[C@]12CC[C@@H]([C@@H](C)CI)[C@@H]1[C@H]1CC[C@@H]3[C@@]4(C)C[C@H](CCC[P+](c5ccccc5)(c5ccccc5)c5ccccc5)[C@H](OC(C)=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 299824460 LEMFKZVFDBBUBP-RKGPOUDWSA-N 944.052 12.244 50 1 KKGF CC1CCN(Cc2ccc3nc(NC(=O)N/N=C/c4cn(Cc5ccc(Cl)cc5)c5ccccc45)sc3c2)CC1 299865005 SKRHRKBWYFJGOT-ATZGPIRCSA-N 571.150 7.340 50 1 KKGF COc1cc(/C=C\c2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)cc(Cl)c1OCC(C)C 587046332 GDIBDQOGBJNMCH-PLNGDYQASA-N 561.798 8.850 50 1 KKGF O=C(CBr)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587319592 CFSATHPZOHOFHM-YTMVLYRLSA-N 580.837 6.821 50 1 KKGF O=C1c2ccc(O)cc2O[C@](CBr)(c2ccc(Br)cc2F)[C@H]1c1ccc(F)cc1 587335878 RTEAXYHFBRDLSE-RBBKRZOGSA-N 524.155 6.082 50 1 KKGF Cc1cc(C)c([C@@]2(CBr)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(Br)c1 587537629 JHCXXYZPBYKCQY-NFBKMPQASA-N 518.201 6.024 50 1 KKGF Cc1cc([C@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)n1-c1cccc(C(F)(F)F)c1 587544016 DHXPBJCRFJELJM-IGKIAQTJSA-N 527.926 6.914 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)[C@@H](Br)C[C@H]1[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C 587672211 FBIYAOBQMKOXQY-LVQVNHHRSA-N 583.424 7.095 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cc(-c3ccc(Cl)c(Cl)c3)no2)N1 587674574 XPWAIQORFKXPAY-FVINQWEUSA-N 549.065 6.723 50 1 KKGF Cc1cc(C)cc(P(c2cc(C)cc(C)c2)c2ccccc2[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587848371 IFLLDXAFWCWCJE-JPQMRUPTSA-N 560.491 7.204 50 1 KKGF CC1(C)[C@@H](OC(=O)CCc2nc3cc(S(F)(F)(F)(F)F)cc(Br)c3[nH]2)CC[C@]2(C)[C@@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12 587948931 WCTVXBOCVGANEG-WUMOFDDCSA-N 847.826 11.893 50 1 KKGF O=C(O)[C@H]1Cc2cccnc2[C@@](CCl)(CCc2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 962471207 CJQWULUAPWHDCK-CPBHLAHYSA-N 553.058 6.409 50 1 KKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963005567 AWAXQNATLKWVJW-QHAPZABPSA-N 555.900 6.390 50 1 KKGF Cc1cc([C@@]2([C@H](C)Cl)c3c(ccc(F)c3F)C[C@H](C(=O)O)N2C(=O)OCC2c3ccccc3-c3ccccc32)c(C)n1-c1ccc(Cl)cc1 963037775 LEVWHOHVQKYSNG-PXMPLSEQSA-N 701.597 9.157 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](CBr)(c2cccc(OC(F)(F)F)c2F)N1 963176270 SVXFJLLOBRTBPO-QGRQJHSQSA-N 720.561 7.643 50 1 KKGF CNC(=O)[C@@H]1Cc2ccccc2[C@]([C@@H](Cl)C(=O)c2ccccc2)(C(F)(F)F)N1C(=O)[C@H](CC(C)C)[C@H](CSc1cccs1)C(=O)NO 963948296 RXEHQZUXHDLCGX-HUIPXDTJSA-N 710.240 6.072 50 1 KKGF COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CC[C@H](NC(=O)CCC(=O)O[C@@H]2O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]2C)[C@]64OO5)C[C@H]1C[C@H]3OC(C)=O 1772644227 DFBKPLDSAAJUTF-FUSUDDFGSA-N 872.106 7.334 50 1 KKGF C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)CCC(=O)O[C@@H]6O[C@@H]7O[C@@]8(C)CC[C@H]9[C@H](C)CC[C@@H]([C@H]6C)[C@]97OO8)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 1857563981 RZECVBAHIDPWFI-ICYNDBBFSA-N 823.121 10.172 50 1 KKGF COC(=O)/C(C#N)=C\c1ccc(OC)c(OCCCCOC(=O)[C@]2(C)CC[C@]3(C)CC[C@]4(C)C5=CC=C6C(=CC(=O)C(O)=C6C)[C@]5(C)CC[C@@]4(C)[C@@H]3C2)c1 1857608610 ACUGRUAAZHQOIP-YYONRAFPSA-N 737.934 9.104 50 1 KKGF COc1cc(-c2ccc(OCCBr)cc2)c(OC)c(OCCBr)c1-c1ccc(OCCBr)cc1 1857761366 HQDXNBPEQPLNRE-UHFFFAOYSA-N 659.209 7.359 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@H]2O3)CN2C[C@@](Cc3ccccc3)(CCNC(=N)NC3(CCCC3)SSCCCCCC[C@H](O)C1)CC2=O 2356350538 DZQOMQKIJAGGDJ-AWJKCHFOSA-N 835.190 8.582 50 1 KKGF CN[C@H](O[C@@H]1CCCCSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1ccc(NC[C@@H](C)O)c(CO)c1 2356455548 YEKCJMNKBMYKHS-MKHLZPEPSA-N 720.954 7.472 50 1 KKGF CCc1ccc2cc1N[C@H]([C@H](C)O)CSSC[C@@H]1C[C@]3(CC[C@H]4C[C@H]5[C@@H]6C(O)=C[C@H](OC)[C@@]6(O)[C@@]4(C)[C@]53C)C[C@@H]1C2 2356482946 CDIOGMDSMNATON-RCPHIALYSA-N 599.903 6.634 50 1 KKGF CCCCCC[C@H](O[Si](C)(C)C)[C@H](CCCCCCCCC[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)NC(C)=O)O[Si](C)(C)C 2356530338 AIQQMANOGBFNOQ-ULDAFLRWSA-N 896.754 12.924 50 1 KKGF CCCCCCCCCCCCCCCCOOCC1=C[C@H]2C(=O)[C@@]3(C=C(C)[C@H](O)[C@]3(O)[C@@H]1O)C[C@H](C)C[C@H]1[C@@H]2C1(C)C 2356610787 YIJXYOWJBGJASL-DSKXGVOTSA-N 602.897 7.643 50 1 KKGF COc1cc2c(c(OC)c1O)CC#C[C@@]13CC[C@@H](C[C@H]4Cc5c(c(OC)cc6c5[C@H]1[C@H](O)[C@H]2O6)-c1ccc(O)cc14)[C@@H](C)CCSS3 2356646163 RRHZPGGORDAYLB-TVDMFXDTSA-N 672.865 7.528 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(CC7(CCCC7)CCC67CCCC7)NC(=N)N[C@@H]2C=CC[C@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(CO)cc2O)C[C@@H]41 2356690364 USJQCCQHFDAPOV-QZERDZEVSA-N 974.388 7.399 50 1 KKGF CCCCCCCCCCCCCCCCC1=C[C@H](C(=O)OC(=O)[C@H](N)C(C)C)[C@@H]2C(=O)C(C(=O)OC)=C(CCCCCCCCCCCCCCCC)[C@H]2[C@H]1C(=O)OC 2356725628 RQQPIMSWJUZZFS-PSMNBJAUSA-N 842.256 12.412 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2[C@H]2C=C[C@H]1SS[C@H]([C@@]13CC4(CCCC4)C[C@@H]1C=CC1=CNCN13)c1cc2cnc1N 2356826489 HXSVGMVEVXLZLN-YGSCANAUSA-N 724.993 8.215 50 1 KKGF CC[C@@H]1Cc2cc(O)c(O[C@@H]3C[C@H](Cc4ccc[nH]4)C4=CCNC(N)=C4CSSC[C@H](CO)[C@@H]3O)cc2[C@@H]2C[C@H](O)[C@@H]3[C@H](C#C[C@H]([C@H](CO)Cc4ccccc4)C[C@@H](O)CC[C@H]3O)C=C12 2356856347 RZXFDRXWIPWZPC-SQCXRDKZSA-N 926.255 5.747 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](CCCCO)[C@H](O)SSCNC3=CC(=CCN3)[C@@H]2CN2C(=O)C=CC2=O)CCCC1 2356876117 ZVKPSNJNGCNBCY-BCAPOCDJSA-N 816.055 6.209 50 1 KKGF COc1ccc(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@@H](O)[C@@H](Cl)c3ccc(C)c(C)c3)OC(=O)[C@H](CC(C)C)OC(=O)C(C)(C)CNC2=O)cc1Cl 26820967 OVLOKMBRSPGNJS-OXLCRQLGSA-N 733.730 5.942 50 1 KKGF CCO/C(O)=C1\C(C[S@@](=O)c2ccc(OC)cc2)=NC(C)=C(C#N)[C@H]1c1ccccc1C(F)(F)F 34802446 ZSNWNHLLFUDZGF-MSOIBLRCSA-N 504.530 5.664 50 1 KKGF O=C1N[C@@H]2[C@H](CCCCC(=O)OC(=O)CCCCCNOc3ccc(C4=C(c5ccccc5)C(=O)N5CCC[C@@H]5C4)cc3)SC[C@@H]2N1 49792006 STXVUDAOSZLOIB-HXGSFMPMSA-N 660.837 5.232 50 1 KKGF COc1ccc(NN2C(N)=C(C#N)[C@H](c3cc4cc(C)ccc4nc3Cl)C3=C2CC(C)(C)CC3=O)cc1 84706073 PXUNUFCYIWQHKZ-VWLOTQADSA-N 514.029 5.969 50 1 KKGF CS/C(N[C@H](c1ccccc1)P(=O)(OC(C)C)OC(C)C)=C(\C#N)C(=O)NCc1ccccc1 103210680 AABQJBMJAIKCND-UVDRRRQGSA-N 501.589 5.732 50 1 KKGF COc1cc(C(=O)NC2=C(C#N)[C@@H](c3ccc(Cl)cc3Cl)C3=C(CCCC3=O)N2c2ccc(S(N)(=O)=O)cc2)cc(OC)c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c2ccccc2)[C@@]2(C)C/C(=C(/C)C=O)C(=O)C=C12 169716318 IDQIOCPNARXHDX-SDQUOKSMSA-N 593.717 5.464 50 1 KKGF CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CNP(=O)(Oc1ccccc1)Oc1ccccc1 170069632 DXEQJDVNWKMZDS-ARNLJNQMSA-N 573.659 5.070 50 1 KKGF CC[C@H](C)c1cc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2cc(-c3ccc(OC)cc3)c(=O)oc12 299838678 QTQLGNQQJRBIBI-SOKVYYICSA-N 524.617 6.433 50 1 KKGF Cc1cc2c(Br)ccc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2o1 587003873 NRBJCQXWMYJMLF-UHFFFAOYSA-N 532.126 8.467 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(CBr)cc2)[C@@H]1c1ccc(F)cc1 587319677 CNPVXVPWDQBJJN-GGAORHGYSA-N 520.192 6.076 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@]1(c2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587326088 JTLMFSHSNUQEIA-PXJZQJOASA-N 536.386 6.665 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](CBr)(c2ccc(OC(F)(F)F)cc2)[C@@H]1c1ccc(F)cc1 587333067 UYCGQTBBULPWJR-IRLDBZIGSA-N 511.265 6.079 50 1 KKGF O=C1C[C@@](c2ccccc2)(c2cc(Cl)c(CBr)c(Cl)c2)Oc2c1ccc1c2CCCC1 587500566 SLVMXIMBUKXMIN-AREMUKBSSA-N 516.262 7.676 50 1 KKGF CCCCN(CCCC)c1ccc(-c2nn(C(=O)CCCCCCCCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 587662029 FLOINMPTUXSKDP-UHFFFAOYSA-N 591.797 6.707 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)N1 587714602 AYRIZWNNBAQDKK-BWKAKNAASA-N 578.904 6.928 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1cc(Br)cc(Br)c1NC(=O)CCl 587876387 DLBQBBFXOGDSRD-UHFFFAOYSA-N 567.492 5.406 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCl)(Cc1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962676572 LADFSDPUWKIHBR-SANMLTNESA-N 503.948 6.098 50 1 KKGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@]12c1ccccc1C(=O)c1c(NC=C(C#N)C#N)ccc(N)c12 962983400 CMSXCPZGLXZBQL-QNGWXLTQSA-N 658.114 5.776 50 1 KKGF CC1(C)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963005581 AWAXQNATLKWVJW-VOHYSYRHSA-N 555.900 6.390 50 1 KKGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@](CCBr)(c2ccc(F)cc2)N1C(=O)c1ccc(Cl)cc1 963027641 SYFJMBLNOPVBRK-KCWPFWIISA-N 555.831 6.141 50 1 KKGF O=C(O)[C@H]1Cc2ccc(O[P@](=O)(O)OCc3ccccc3)cc2[C@](CBr)(COc2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 963069854 JEWLSIRWVWGGSR-PJKFIHJXSA-N 784.596 8.312 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@]2(C(C#N)=COc3c(Cl)cc(Cl)cc32)N1C(C)=O 963315141 BMJQODVXKPSMPI-RLYYAAKVSA-N 793.638 5.840 50 1 KKGF COc1ccc2c(c1OC)[C@@](CCCCl)(c1ccc(C(C)C)cc1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963817458 NBUMRHORJILHGE-MGBGTMOVSA-N 559.106 6.839 50 1 KKGF CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)CC[C@]4(C)[C@H]3CC[C@]12C 1857560052 SPJCRMJCFSJKDE-MZMRZVEZSA-N 644.812 10.466 50 1 KKGF O=C(N/N=C/c1ccc(Oc2nc(Oc3ccc(/C=N/NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc(Oc3ccc(/C=N/NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)n2)cc1)c1ccc([N+](=O)[O-])cc1 1857575526 RJOBCNIPUOHZNF-IBLHGWQZSA-N 930.807 7.265 50 1 KKGF CC1=C(C)[C@]2(OO)O[C@](C)(C[C@H]3c4c(C)c(Br)c(C)n4[B-](F)(F)[N+]4=C(C)C(Br)=C(C)[C@H]34)CCC2=C(C)C1=O 1857655865 QBRBMZPNQXRFMV-BHSMJKLQSA-N 658.187 7.093 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCCCCCC[C@@H](O)C1)CC2=O 2356300207 MCYKBDVRSZIFSV-MMRSIPDJSA-N 905.285 8.560 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)NCSSC3CCC(CC3)CC[C@H](O)C1)CC2=O 2356301881 ZMHURSBPOCIBJR-WBQAPOGPSA-N 823.139 6.466 50 1 KKGF CC[C@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2Cc2cnc3c(c2)[C@H](CCN3)SSC1 2356307544 AXDPGYPQVYBPGV-QLXKLKPCSA-N 512.697 5.986 50 1 KKGF CCCCC[C@@H]1C[C@]2(CC[C@H](Oc3cc4c(cc3O)[C@H](CCO)SSC[C@H](O)[C@H](Cc3cc(OC)c(O)c(OCO)c3)[C@H](O)C[C@H](OCO)CC4)C2)C[C@H]1NC[C@@H](C)O 2356360248 BHAMFRRLKWMUDE-HJPBPFLTSA-N 868.165 5.739 50 1 KKGF CC(=O)O[C@@H]1C[C@H](c2cc(O)c(O)c(OCCc3cccnc3)c2)O[C@H]2[C@@H]3Cc4ccc(O)c(c4)O[C@H]4CCC[C@H](CSS[C@@H]3C=C[C@H]12)C4 2356369747 HVPQVVHCBIQMRP-ICLYCLIVSA-N 705.895 7.328 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C=CC[C@H](C)C6)[C@@H]5C4)cc3CC[C@@H](OCO)C[C@@H]2O)cc(OC)c1O 2356450820 KDMQORFDIMCBAO-QILRDYDGSA-N 842.130 6.305 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)CCC=C(C)CNCC1CCCCC1 2356489186 NBOYRKMILJEXDZ-SKPRLWQBSA-N 640.950 5.710 50 1 KKGF C=C(C=CC=C(CO[C@H](O)CC(C)C)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1Cc2cccc(c2)C[C@](C)(CCOC)N[C@H](O)C2=C[C@H]1CCC2 2356493660 ANPOGWGODPOCJF-PEWDFYTGSA-N 885.240 7.069 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@@]2(O)CCNC)C1(CC=C(C)C)CCCC1 2356562625 YJOUVDGDSWRJKH-VFOHNJPNSA-N 607.876 5.752 50 1 KKGF C=C(C=CC=C(COCCO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](C)(O)[C@@]3(CC1)[C@H]2O)CCC=C(C)C 2356660631 JUTMFHKUBGXKGY-VHFAWWBMSA-N 556.784 5.521 50 1 KKGF CC(C)=CCCC(C)=CCc1c(O)c(CC=C(C)C)c2c(c1O)C(=O)C1=C[C@H]3C[C@H]4C(C)(C)O[C@@](CC=C(C)C=O)(C3=O)[C@@]14O2 2356751740 KYPSMUUXSFJTAR-ARKXZOMISA-N 614.779 7.384 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCCCC3)[C@H](NC[C@H](C)O)SS[C@H]3C=CC4=C(NCC=C4[C@H]2CN2C(=O)C=CC2=O)N3)CCCC1 2356861224 UGQSJGPFVMNAPT-PWPAEDHMSA-N 907.212 7.914 50 1 KKGF COc1cc2cc(C(=O)[C@H]3CN(CCl)c4cc(NC(=O)OCc5ccc([N+](=O)[O-])s5)c5ccccc5c43)[nH]c2c(OC)c1OC 27636607 VASXNAGTYJPTGG-FQEVSTJZSA-N 651.097 7.048 50 1 KKGF C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)OCCCCCBr)CC[C@H]1C 103200050 GQIGISHUYSWIGR-ZUCJICFVSA-N 605.742 9.113 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CCCN(c3c(F)c(F)cc(F)c3F)[C@@H](CC[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 169299394 OQGCWBXPRKRHRU-WFVKESGCSA-N 882.986 7.680 50 1 KKGF C=CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 195505876 BDKQSXIIYZQXSP-HPRFQDQJSA-N 604.860 7.692 50 1 KKGF C=CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1 195505881 BDKQSXIIYZQXSP-VABIIVNOSA-N 604.860 7.692 50 1 KKGF C[C@@H]1C[C@@]2(N=C(N)CS2)[C@@]2(O[Si](C)(C)C)O[C@@H]3C[C@@]4(CO[Si](C)(C)C)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54CO)C[C@H]3O[C@@H]2O1 253737963 PEKNBERLJCCVET-IAIYKDBOSA-N 763.159 6.200 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(COC(=O)c3cc(Cl)nc(Cl)c3)C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 299821946 CPUJFKLYVXAFBY-PPOGDEGJSA-N 780.783 8.443 50 1 KKGF COc1cccc(-c2cc(F)cc(-c3nc4cc(S(F)(F)(F)(F)F)cc(Br)c4[nH]3)c2)c1 587160531 VFMDMTFOYBXTNU-UHFFFAOYSA-N 523.296 8.465 50 1 KKGF O=C(CCl)Nc1ccc(Cl)cc1[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331968 KPCCXZJVJKDJCY-XRKRLSELSA-N 554.376 6.804 50 1 KKGF O=C1c2ccc(O)cc2O[C@@](c2c(Cl)ccc(F)c2Cl)(C(Br)Br)[C@H]1c1ccc(F)cc1 587335424 QXODESBXJZKHIQ-JTSKRJEESA-N 593.045 7.348 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc([N+](=O)[O-])cc2Br)N1 587671708 AHCYENQNAREVJQ-HUTHGQBESA-N 537.021 5.432 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CBr)(c2cccc(I)c2)N1 587736794 BZHUVTZENLMDCG-BTDLBPIBSA-N 539.024 5.366 50 1 KKGF O=C(Cc1ccc(Cl)cc1Cl)NCC#Cc1ccc(C(Br)Br)c(C(Br)Br)c1 587874542 AWKJVGSONFLMBA-UHFFFAOYSA-N 661.841 7.281 50 1 KKGF COc1ccc2c(c1OC)[C@@]1(CCC[C@H]1CCBr)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 962668182 BRQICYNHCOBKKN-UUOWRZLLSA-N 526.393 6.202 50 1 KKGF O=C(O)[C@@H]1Cc2ccccc2[C@@](CCCCCl)(c2ccc(F)cc2)N1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 962722357 YUZGCMCQOUGDIP-HCJVMEMPSA-N 676.179 7.595 50 1 KKGF C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)[C@@]1(CCl)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963192288 YXIPBAGBROFVHU-UXVCRZDESA-N 771.056 7.467 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](c2cccc(Cl)c2)([C@H](C)Br)N1C(C)=O 963317423 PZEJGORBHZCGQG-WAIHLJACSA-N 801.112 6.170 50 1 KKGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@]34c3ccccc3C(=O)c3cc(NC(=O)[C@H](C)Cl)c(Cl)cc34)nc(Cl)nc21 963913832 FMHQBGRPMOQCQF-GTOJURISSA-N 661.977 6.884 50 1 KKGF CN(C)CCN1C(=O)c2cccc3cc(NC(=O)CCCc4ccc(N(CCCl)CCCl)cc4)cc(c23)C1=O 1857536856 HWZNKSGIQZXBQK-UHFFFAOYSA-N 569.533 5.243 50 1 KKGF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@@]43C)[C@@H]1CC(C=O)=C2n1cnc2ccccc21 1857650806 HJCRWWBRFYUTLM-UAKXVESRSA-N 520.673 7.245 50 1 KKGF O=C(COc1ccc(N2C(=O)[C@@H](Cl)[C@@H]2c2ccc(Br)cc2)c2cccnc12)N/N=C1\C(=O)N(CN2CCCCC2)c2ccccc21 1911586284 MJBPKPBHFGWISY-TVWJVUPLSA-N 702.009 5.382 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCCC[C@H](O)C4CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356292509 RFJGUVCEQFBYDL-NVWTZENDSA-N 918.235 9.098 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C)[C@H](NC[C@@H](C)O)SSCNc3cc(ccn3)C23CCCC3)CCCC1 2356295481 VYMGPVWESCECHW-DPKFDFQZSA-N 758.063 8.862 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@](Cc3cc[nH]c(=N)c3)(CCNC(=N)N[C@@]3(CCCC34CCCC4)SSCC3(CCCC[C@@H](O)C1)CCCC3)CC2=O 2356299754 GQPZODNHOMJQLR-GNVSTDMWSA-N 959.377 9.731 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@@H]1[C@H]3CC[C@@]4(C5=CC[C@@H](C)CSSCNc6cc(ccn6)CC3=C4C(=O)O5)[C@H]21 2356316557 WLIDZPLKYSJOBY-QGJIBQGESA-N 576.784 7.126 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)CN[C@](CCOC)(C2CCCC2)Cc2cccc(c2)C1 2356350885 MAJUCGJMABFGIR-JESIGOCYSA-N 811.161 7.142 50 1 KKGF CNC[C@@H]1[C@H](O)[C@H](O)C[C@]2(C3CCCCC3)[C@@H]3C(=CC(=O)[C@H]12)[C@]1(O)[C@H]2CSSC[C@H](n4ccnc4)CC(C)(C)C(=C4CCCC5(CCCC5)C4)C[C@H](O)[C@H](C)[C@@H](C2)[C@]1(C)C[C@H]3CNC(=N)N[C@@H](C)O 2356355544 GDWMPZLNNABWEH-PEOGOUSASA-N 993.479 8.169 50 1 KKGF C=C(C=CC=C([C@@H]1C=C[C@H](C(C)C)[C@H](O)O1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@@](CCOC)(C2CCCCC2)Cc2cccc(c2)C1 2356365360 KWOSYJBIBNBURT-LKMUZGPISA-N 951.343 8.404 50 1 KKGF CC(=O)O[C@@H]1CCc2cc(c(O)c3c2CC[C@@H]2CCC[C@@H]2O3)CN2C[C@@]3(CC2=O)[C@H](CC[C@@H]3c2ccccc2)CNC(=N)N[C@]2(CCCC23CCCC3)SSCC2(CCCC[C@@H](O)C1)CCCC2 2356367466 DOMGIDUOQAYYCW-QKHDOJRBSA-N 969.412 11.484 50 1 KKGF COc1cc([C@@]23CC[C@@]45CC[C@@H](C[C@H]6c7cc(O)ccc7-c7c(OCCO)cc(c(c7[C@@H]6CO)[C@H]4[C@@H]2O)O3)[C@@H](C)CCSS5)c(O)c(OC)c1O 2356520801 ZJFUJIIHPOPGED-BNYRGQPLSA-N 738.921 6.518 50 1 KKGF C=C1CC[C@@H]2[C@H](CCCC2(C)C)[C@@H]1CC=C(C=O)C[C@@H]1O[C@H](C[C@@H]2C(=C)CC[C@@H]3C(C)(C)CCC[C@]23C)[C@H](C=O)[C@H]1C=O 2356724992 GFRJMNBJHKMTDR-WTQWMERDSA-N 590.889 8.887 50 1 KKGF C[C@H](Cc1ccccc1)[C@@]12C#C[C@@H]3C=C[C@H](c4ccc(O)c(O[C@@H]5C[C@H](Cc6ccc[nH]6)C6=CCNC(N)=C6CSSC[C@H](CO)[C@@H]5O)c4)C[C@H](O)[C@H]3[C@@H](O)[C@@H](CCC1)CC2 2356866652 VODPTHHXOVBINQ-IHQAXGKYSA-N 866.203 7.241 50 1 KKGF COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc(NC(=O)OCc3ccc([N+](=O)[O-])cc3)c3ccccc43)[nH]c2c(OC)c1OC 26502724 QBXGPDHONUGPPB-FQEVSTJZSA-N 645.068 6.987 50 1 KKGF CCCC[C@H]1CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c(c(O)c2)[C@H](CCCCCl)CCCC[C@H](C)[C@@H](OC(N)=O)c2cc(O)c1c(O)c2 28635775 YSZWKXRRCFZDNI-WDCWCBICSA-N 705.333 9.655 50 1 KKGF CCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCC(CC)CC1)OO2 58689647 DTSHGLFOKHBUIU-YZPNHYOCSA-N 675.904 7.184 50 1 KKGF N#CC1=C(/N=C/c2ccccc2)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@@H]1c1ccc(Cl)cc1 72120080 YJEBUVPXQIQYPM-FEYQCKCBSA-N 548.049 5.566 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(C[C@H]3O[C@@H]4O[C@@]5(C)CC[C@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@]64OO5)C(=O)NNC(=O)c3ccncc3)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 95544052 CCGPSWGJJDUHOL-LDFCTNMRSA-N 739.907 5.740 50 1 KKGF CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(-c2ccsc2)cc1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc1ccccc1)C(C)(C)C 98208920 XNAIGGHDLWCRFU-SQQFMCCZSA-N 707.938 5.050 50 1 KKGF in-vitro CCCCCCC[C@H]1[C@@H](CCCCC)CC[C@@H](CCCCCCCCCN=C=O)[C@H]1CCCCCCCCCN=C=O 100051307 AMUBKBXGFDIMDJ-WCTYMAGYSA-N 586.990 12.099 50 1 KKGF C[C@]12CC[C@@H]3[C@H](CN=C4[C@@H](Br)C(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)NC12CC3CC(CC(C3)C1)C2 169714194 QJUSGHZQXLBGAH-JORGQPLGSA-N 529.563 5.717 50 1 KKGF Cc1cn([C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)C[C@@H]2O[Si](C)(C)C(C)(C)C)c(=O)n(CC(=O)OCc2ccccc2)c1=O 170171160 QSVJJFGGTNOGQD-VBOOUTDYSA-N 618.920 5.762 50 1 KKGF C[C@H](CCCC(O)(C(F)(F)F)C(F)(F)F)[C@H]1CC[C@@H]2/C(=C/[C@@H]3OOCC4=C3C[C@@H](O)CC4)CCC[C@]21C 195348128 PZXHPUCNJAGWRH-WRSOIABCSA-N 540.585 6.963 50 1 KKGF O=S(=O)(NCCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)c1cc(Br)ccc1Br 586943447 XEUNIMAMYIWFEK-UHFFFAOYSA-N 585.212 6.266 50 1 KKGF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 587109026 LAGGFDPUAHIHNF-UHFFFAOYSA-N 511.188 7.367 50 1 KKGF C[C@H]1CN(c2c(F)c(N)c3c(=O)c(-c4nc5cc(S(F)(F)(F)(F)F)cc(Br)c5[nH]4)cn(C4CC4)c3c2F)C[C@@H](C)N1 587176877 IAHXWCSVKIELJV-PHIMTYICSA-N 669.465 7.347 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccnc(Cl)c3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587189810 FQPHDAWOFOJKTG-KURQEFGWSA-N 597.200 6.643 50 1 KKGF C[C@]1(CBr)[C@H]2CC[C@@]1(CBr)[C@@]1(C2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587323752 SXARFCYJPCGDFO-NRJSNWNSSA-N 538.251 6.225 50 1 KKGF CC(C)C[C@H](NC(=O)OCc1ccccc1)[C@@]1(CCl)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587325939 IDIUEJPMYANCDS-IWVFXYMLSA-N 526.004 6.209 50 1 KKGF CCN(CC)c1ccc2c(c1)OC1=C(C#N)[C@@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)c3ccccc3C1=N2 587337720 OMFNJAONAJYQJD-NQVJXQQZSA-N 571.608 6.936 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3CC[C@]2(CBr)[C@@]3(C)CBr)N1 587672464 FYUBXVSIFKBNIX-SCUKEFNGSA-N 524.110 5.914 50 1 KKGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccc([N+](=O)[O-])cc2)([C@H](Cl)C(=O)Nc2ccccc2)N1 587688666 MYFRMNNUGGCHKZ-FUEHQLCJSA-N 532.797 5.520 50 1 KKGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C[C@@]21C)N[C@H](C)Cc1ccc(F)c(Br)c15 587691118 CABPCVWSRMBRFO-RQJGFIMNSA-N 669.459 6.499 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CBr)(c2cccc(SC(F)(F)F)c2)N1 587719170 KOJDAROFGFRBCT-BMLIUANNSA-N 513.192 6.373 50 1 KKGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)([C@@H](NNC(=O)c2ccccc2)c2ccccc2)N1 587746726 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CC=C(C)C(=O)O[C@]1(C)CC=C2CSSC[C@@H]3CCN3C(=O)Cc3c[nH]c(=N)cc3[C@H]2[C@]12Cc1cc3cc(C4(CCO)CCCC4)c(=O)oc3cc1O2 2356293966 NAUAOGFHRBTSGZ-ZNALJLQQSA-N 757.975 6.389 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3C=C[C@@H]3CCC[C@@H]3O4)CN3C[C@@](Cc4cc[nH]c(=N)c4)(CCNC(=N)N[C@@]4(CCCC45CCCC5)SSCCCCC[C@@H](CC1)[C@H](O)C2)CC3=O 2356300471 MPUJBQIZZXBFMX-HHYDURQASA-N 929.307 9.031 50 1 KKGF NC(N)c1cc2c3cc1CSSC[C@H]1C[C@@](CCC4(C[C@H](O)CO)CCCC4)(C=CC(=O)CCc4ccc(O)c(c4)OCCc4ccc(O)c(c4)[C@@H]3CC(=O)c3cc[nH]c3CC#C2)C[C@@H]1O 2356350914 MJRCPVFEGZWOQX-OLZYHYKUSA-N 934.234 8.070 50 1 KKGF C[Si](C)(C)O[C@H]1[C@H](OC(=O)Cc2c[nH]c3ccccc23)[C@@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)[C@@H]1O[Si](C)(C)C 2356486146 GTYAYTGQTNZBGS-YZTFKCKSSA-N 698.243 7.736 50 1 KKGF CCCCCCCCC=CCCCCCC[C@@H]1C(=O)O[C@]2(C)O[C@H]([C@@H]3C(C=O)=C[C@H](O)[C@@H]4C(C)(C)CC[C@H](OC(=O)C=Cc5ccc(OC)cc5)[C@@]34C)O[C@@H]12 2356589641 MCVAPTMLHAVOLH-RVMRSXSJSA-N 763.025 9.457 50 1 KKGF C[C@@H]1[C@H](O)CC(=C2CCCCC2)C(C)(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]1[C@]1(C)C[C@@H]3CC[C@@H]4[C@H](O)[C@H](O)C[C@@H]5C(=O)C=C([C@@H]3[C@@]54C)[C@]21O 2356723614 OUMKPVLWPZWKHY-JMMPPXMCSA-N 739.101 7.560 50 1 KKGF C=C(C=CC=C(CO)[C@@]12CC[C@]3(CCCO)C(=C(C)C=O)CC[C@](O)(CCNC)[C@@]3(CC1)[C@@H]2O)[C@@H]1CC=C(C)[C@H](O)N[C@H](C)Cc2cccc(c2)C1 2356739728 XZVNDTIDGQKYLY-JRCDGFCTSA-N 717.004 5.395 50 1 KKGF COc1cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3CCC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@H]5CO)C3)[C@H]2O)c(O)c(OC)c1O 2356774345 VWXOTNYUOSVPQR-LNJARCDOSA-N 712.883 6.344 50 1 KKGF COc1cc(C[C@@H]2[C@H](O)CSS[C@H](CCO)c3cc(O)c(O[C@@H]4CC[C@@H]5CNCCC#C[C@]6(C[C@H](C)CC[C@@H]6CCC6(O)CCCCC6)[C@@H]5C4)cc3CC[C@H](OCO)C[C@@H]2O)cc(OC)c1O 2356779606 BVVWXPAYTNCMMK-DPPUWWGSSA-N 970.345 8.230 50 1 KKGF CC(=O)O[C@@]12CCc3cc(c(O)c4c3[C@H]3C=C[C@@]5(CCC[C@@H]5C3)O4)CN3C[C@@](CC4=CCNC(N)=C4)(CCNC(=N)N[C@]4(CCCC45CCCC5)SSCC4CCC(CC4)[C@@H](CC1)[C@H](O)C2)CC3=O 2356859815 TYUQHHJHZZUNDW-PAUGOIRPSA-N 983.399 9.347 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C=Cc2cc(OC)c(O)cc2CC2=CN[C@@H]3NCC[C@@](c4cccc(O)c4)(SSC1)C3=C2 2356864838 WADXRHCCYOHMGC-QAADHGQJSA-N 606.810 6.020 50 1 KKGF COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@]12C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCCCC1)OO2 58602062 DKMPSZABQRXVTG-OQWSNKROSA-N 662.861 7.365 50 1 KKGF COc1cc([C@@H]2Oc3cc(OC)c4c5c3[C@H](CSSCC[C@@H](C)CC[C@@H](C5)c3cc(O)ccc3-4)[C@H]2O)c(O)c(OC)c1O 85567776 MNHVTROLHFBJLR-LTYAEXJFSA-N 626.793 6.916 50 1 KKGF biogenic,in-vitro CCC1(/C=C2\OC(=O)C3=C2CC[C@H]2[C@@H]4CC[C@@]5(C6=C4[C@@H](CCCO)c4ccnc(c4)NCSS[C@@H](O)[C@H](C)C/C=C/5OC6=O)[C@@H]32)CCCC1 85571151 SBPACOZDSMBCNV-BADKSEEJSA-N 704.955 7.928 50 1 KKGF biogenic,in-vitro CN[C@H](O[C@@H]1CC[C@H](O)CSSCc2c(ccc3ccc(O)cc23)-c2c(ccc(O)c2OC)CCC(=O)C1)c1cccc(CO)c1 85597373 WKXOHVVXPDMXMK-CMUUVTEDSA-N 663.858 6.650 50 1 KKGF biogenic,in-vitro O=C1c2ccccc2C(=O)c2c(NCCN[P@@]34=NP(NCCCl)(NCCCl)=N[P@@](NCCCl)(=N3)OCCOCCOCCOCCO4)cccc21 95606771 YFWLZJMSNJAZQQ-OKPYTHRESA-N 828.012 5.898 50 1 KKGF Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SSc3ccccc3C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)cc2)nc(C)n1 95612158 BVIPSSQCZPAHKU-UHFFFAOYSA-N 827.008 7.406 50 1 KKGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOc3ccc(C(=O)/C=C/c4ccccc4)cc3)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 100752101 LWZHNYNFUIDUOD-ASUIBJJNSA-N 534.649 6.186 50 1 KKGF C[C@@H](Cl)[C@@H](Cl)[C@@H](OS(=O)(=O)O)[C@H](Cl)[C@@H](Cl)[C@H](Cl)CCCCCC/C=C/Cl 135684506 MRHBLGIXICCSSZ-DBHKVRRXSA-N 513.138 6.324 50 1 KKGF C[C@]12CCSSC[C@]34C[C@H](CSSCc5cccc(c5)C[C@@H]3CNC(N)=N4)[C@H]3CSSC[C@@H](CCO)[C@@H]4[C@@H](CO)C[C@@H]1CC1=C3C(=O)C[C@@]142 150342308 LQMDFJMHSFIIIB-FWPSTAKUSA-N 778.235 7.109 50 1 KKGF biogenic,in-vitro COc1ccc2nccc([C@@H](O)[C@H]3C[C@H]4CCN3C[C@@H]4CC(=O)O[C@@H]3O[C@@H]4O[C@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]([C@H]3C)[C@@]46OO5)c2c1 169355473 MBAQHIKTOFDTQI-VONCFPFQSA-N 622.759 5.129 50 1 KKGF COc1ccc(CCN(C)CC#CCC[C@](O[Si](C)(C)C)(c2ccccc2)C2SCCCS2)cc1OC 195006363 NTPCTAVOOTZCML-PMERELPUSA-N 557.898 6.905 50 1 KKGF COc1cc2cc(c1Cl)N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)SSC)[C@@]1(C)O[C@@H]1[C@@H](C)[C@@H]1C[C@@](O)(NC(=O)O1)[C@H](OC)/C=C/C=C(/C)C2 195292892 LTLNAIFGVAUBEJ-BONRDNCQSA-N 826.475 6.085 50 1 KKGF COC(=O)[C@]12CC(=O)[C@H](C(C)C)CC(=O)[C@H](C)CCC[C@H](C)CC(=O)[C@H]1CC(C)=C1[C@@H]2C=C(C)CC[C@H](Cl)[C@]2(C)CC[C@@H](O2)[C@@](C)(O)C[C@H]1O 255250607 OAZCZMDHKJUCJE-BIEMJROWSA-N 719.400 7.492 50 1 KKGF CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)OC[C@H](O)CCl)CCC[C@]4(C)[C@H]2C[C@H]1C[C@H]3C(=O)OC[C@@H](O)CCl 299838886 RKKUYLWNXGUBNM-DGDIZHAUSA-N 559.571 5.104 50 1 KKGF Cc1c(C(=O)Nc2cccc(S(F)(F)(F)(F)F)c2)nn(-c2cc(Cl)cc(Cl)c2)c1-c1ccc(Cl)cc1 473150253 LOQJFZNVHSPHAZ-UHFFFAOYSA-N 582.809 9.718 50 1 KKGF C[C@@H]1C[C@H](C)[C@@H](O)CC(=O)O[C@H]([C@@H]2CCC[C@H]2c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC=CC=C(C#N)[C@H](O)[C@@H](C)C[C@H](C)C1 587190002 HASRDQDWXRXZEX-UATTUGJOSA-N 661.831 8.207 50 1 KKGF O=C1c2ccc(O)cc2O[C@]2([C@H]3C[C@H]4[C@@H]2[C@@]2(Cl)[C@H](Cl)[C@@]5(Cl)[C@@H]3[C@@H]4[C@]2(Cl)C5(Cl)Cl)[C@H]1c1ccc(F)cc1 587326895 NHBHUEAAUDVSJP-TXARFPBYSA-N 609.135 6.882 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C(C)(C)C 587607229 LLAQXJTWDMRGEU-HTOSQESHSA-N 786.990 11.061 50 1 KKGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sc(=NS(=O)(=O)c3ccccc3)n(CCCCl)c2Cl)N1 587839044 FXSBRCMLUPNKEI-DJJJIMSYSA-N 593.371 5.647 50 1 KKGF COc1cc2c(cc1OC)[C@](CSC(=Nc1ccccc1)NNC(=O)CN1c3ccccc3Sc3ccccc31)(c1ccc(Cl)cc1)N(C)[C@@H](C)C2 962625694 JTMWCXDUNQUFRW-JNGYJVBXSA-N 750.390 8.822 50 1 KKGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@](c3ccccc3)(c3cccc(CBr)c3)N12 962666003 LYPTVCHMUIIREP-IZLXSDGUSA-N 501.424 5.520 50 1 KKGF O=C(O)[C@H]1Cc2c(cnc3ccccc23)[C@@](CBr)(c2c(Br)ccc(Cl)c2F)N1 963226121 KIGIKEYZGIJUPD-UZLBHIALSA-N 528.603 5.027 50 1 KKGF CCCCCN(CCCCC)C(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1Cc2ccc(OP(=O)(O)O)cc2[C@@](CCl)(c2cc(C)n(-c3ccc(CC)cc3)c2C)N1C(C)=O 963329684 QTLGVYZKOCNJJD-IAKNFJPBSA-N 829.372 6.942 50 1 KKGF CN(C)c1ccc([C@]2(CBr)c3[nH]c4ccccc4c3C[C@@H](C(=O)O)N2C(=O)c2ccccc2)cc1 963441195 AXZAEIODVZEWJA-RBJSKKJNSA-N 532.438 5.024 50 1 KKGF CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]3(C)CC[C@@]4(C)CC[C@@](C)(C(=O)OCCCCOC(=O)/C(C#N)=C/c5ccccc5)C[C@H]4[C@]3(C)CC[C@@]21C 1857542780 PWRIHCPMEAFINE-BXNJYJBPSA-N 677.882 9.087 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H](Cc2ccccc2)SSC1 2356292202 FAOYHQYZNYHHSH-BSHLTOHISA-N 602.822 7.701 50 1 KKGF C[C@@]12CCSSC[C@@]34NC(=N)NC[C@@H]3[C@H]3C=C[C@H]4[C@@H](CSSCc4ccc(CO)c3c4)CC3=C4C[C@H]1C[C@H](CO)[C@H](CCCO)[C@]42CC3=O 2356370503 AYDSPICUMVHRMJ-NYMICELPSA-N 742.111 6.300 50 1 KKGF CCC1(C2=C3OC(=O)C4=C3[C@H](CC2)C[C@@H]2[C@H]3CC[C@@]5(C6=CC[C@H](C7CCC(CCCO)CC7)[C@H](O)SSCNc7cc(ccn7)[C@@H](CN7C(=O)C=CC7=O)C3=C5C(=O)O6)[C@H]42)CCCC1 2356541815 NZIXMPPZCUGLMJ-YSOVAOAASA-N 908.196 9.030 50 1 KKGF C=C(CC[C@@H]1O[C@H](C(C)(C)O)CC[C@]1(C)O)[C@@H]1CC[C@@H]2O[C@H]([C@@H]3CC[C@@H](Br)C(C)(C)O3)CC[C@]2(C)O1 2356569271 WENCEJQJQNEFLN-HLSWFIFXSA-N 573.609 5.599 50 1 KKGF CCOC(=O)C1=C(C=O)C2=C3CCC(=O)[C@@H](C3)c3cc4cc[nH]c4cc3CC[C@H](CO)COc3c4c(c(CO)c(c32)O1)O[C@H]([C@](C)(O)[C@H]1CCN(CCCOC)[C@@H](CC)C1)C4 2356705883 HRNCZGWSJWKJRO-UWRNUSQNSA-N 841.011 5.874 50 1 KKGF CC(C)[C@H](C)[C@@H]1O[C@@H]1[C@](C)(O)[C@@H]1CC[C@]2(O)C3=CC(=O)[C@@]45CSS[C@H](CCCO)[C@@H]6CCCC[C@@]67CCN(C7=O)c6cc(O)cc(c6)CC[C@@]12CC[C@H]3[C@]4(C)C[C@H](O)[C@H](O)C5 2356768918 XUBXLRQUZPIAQW-XJVFQFLJSA-N 882.239 7.140 50 1 KKGF CC(C)[C@@H]1CSSC[C@H]([C@@H]2Cc3c4cc(c(OCNCCCc5ccccc5)c3O[C@H]2O)CC#Cc2c(ccc(O)c2OCO)CCC(=O)C[C@@H](O)CC4)CNC(=N)N1 2356769721 LXVDUICLYYKLFA-BQKHUOAHSA-N 847.113 5.092 50 1 KKGF CC(=O)OO[C@@H]1C[C@H]2[C@](C)([C@@H](OC(C)=O)C[C@H]3[C@@]4(C)CCCC(C)(C)[C@H]4CC[C@]32C)[C@H](C=O)[C@H]1C(C)=O 2356799658 URSGLXUHWJPRFU-QDFVMPFFSA-N 518.691 5.481 50 1 KKGF CC(C)(O)[C@@H]1CC[C@](C)([C@H]2CC[C@](C)(C=CC[C@@H]3O[C@H]([C@]4(C)CC[C@H](Br)C(C)(C)O4)CC[C@]3(C)O)O2)O1 2356816204 CYZRICPAQMIASO-NBNNTSAGSA-N 587.636 5.989 50 1 KKGF O=C1c2cccc3c2C(=O)[C@@]2(CSSCNC4=CC(=CCN4)[C@]4(CCC5(CCCC5)C4)[C@@H]4CC[C@@]5(CO)O[C@@H](O3)[C@H](O)[C@@]4(O)[C@H]5O)C(O)=CC(Cc3cccc(CO)c3)=C[C@H]12 2356820366 FKEBKLRZMAAWLL-QKFVMTMJSA-N 871.087 5.158 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](OS(=O)(=O)O)[C@H](Cl)[C@H](Cl)[C@@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356851846 QKMQSQXGYXKHRJ-FHWMYVSESA-N 735.444 8.982 50 1 KKGF C[C@H](Cc1ccccc1)[C@@H]1C#C[C@@H]2C=C[C@H](c3ccc(O)c(O[C@@H]4C[C@H](Cc5ccc[nH]5)C5=CCNC(N)=C5CSSC[C@H](CO)[C@@H]4O)c3)C[C@H](O)[C@H]2[C@@H](O)CCCC1 2356865080 WJMYXCWKSBQHHE-YREABDRQSA-N 840.165 6.851 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@@H]2[C@H]4CC[C@@]5(C6=CC[C@H](C7CCCCC7)[C@H](NC[C@H](O)C7CCCCC7)SSCNC7=CC(=CCN7)[C@H](CN7C(=O)C=CC7=O)C4=C5C(=O)O6)[C@H]32)CCCC1 2356871828 YLONWOHQZSVYDR-CQSUPIJASA-N 951.309 9.165 50 1 KKGF COc1ccc(CNC(=O)C2(C[C@@H]3CC(c4ccccc4)=NO3)CCN(C(=O)CCCCCBr)CC2)cc1 59796368 UKUUVMBRKLYCIN-SANMLTNESA-N 584.555 5.459 50 3 KKGF COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)C[C@@H]4CC5(CC[C@]4(C)[C@@H]3C[C@H](OC(C)=O)[C@]12C)OOC1(CCC(C(C)(C)C)CC1)OO5 82182084 ZSWHWOUNGHFRGZ-RJVVZVQTSA-N 690.915 7.857 50 1 KKGF C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc3c4c2CSSC[C@@]25C=C[C@@H]6C7=CN=C8C=[N+](C=C78)[C@@H](O4)[C@@H](C#C[C@H](O)c4ccc(c2c46)[C@@H](N)NC5)C2(C#CO3)CCCC2)[C@H](O)C1 150348966 SCTSLRWJJGHBCJ-HUEDITOESA-N 868.114 6.164 50 1 KKGF biogenic,in-vitro COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](C[C@H](OC(C)=O)[C@@]21C)[C@@]1(C)CCC2(C[C@H]1C[C@H]3OC(C)=O)OOC1(CCCCCCC1)OO2 150522572 DKMPSZABQRXVTG-KGUFOMBVSA-N 662.861 7.365 50 1 KKGF CC(C)(C)[Si](OCCNC(=O)[C@@H](CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)Cn1ccc(=O)[nH]c1=O)(c1ccccc1)c1ccccc1 170141201 DCTPWOAYWKVIJD-BHVANESWSA-N 752.000 6.244 50 1 KKGF C[C@@H]1CC[C@@H]2[C@H](CSCCCCCSC[C@@H]3C(=O)O[C@@H]4O[C@@]5(C)CC[C@@H]6[C@H](C)CC[C@@H]3[C@@]46OO5)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4 253687354 IYYRWMHGTXIFHA-GFJSFVPASA-N 696.925 6.400 50 1 KKGF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(S(F)(F)(F)(F)F)cc(Br)c2[nH]1 586982670 OCDMFRSRXJCCLW-CYBMUJFWSA-N 562.240 9.118 50 1 KKGF Cc1cc(-c2nc3c(Br)cc(S(F)(F)(F)(F)F)cc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587125232 OVWQMUJCMAHNFO-UHFFFAOYSA-N 560.286 7.220 50 1 KKGF CC(C)[C@H](Br)C(=O)Nc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587319683 COINZOYEOSSYLH-NLJOTIRTSA-N 526.402 6.164 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)([C@H](Br)[C@@H](Br)c1ccc(F)cc1)O2 587385899 WBLVIWOTQZVYSS-QTJGBDASSA-N 551.225 6.616 50 1 KKGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@@]2(CCl)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587606381 HNFKHQTYQHECQP-FEVNIDIWSA-N 564.059 5.230 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2scc(Br)c2Br)N1 587844085 LZNZRISXDWEHSC-ZIDLFYJRSA-N 532.498 6.191 50 1 KKGF CCCC[C@@H](C)[C@@H](OC(=O)Cc1cc(O)n(-c2ccnc(CCl)n2)c1O)[C@H](C[C@@H](C)CCCCCC[C@@H](O)C[C@H](O)[C@H](C)N)OC(=O)C[C@@H](CC(=O)O)C(=O)O 587941107 RNBJSLHMEUFEGL-CJUROJHHSA-N 813.386 5.001 50 1 KKGF COc1ccc2c(c1)c([C@@]1(CCl)c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N13)c(C)n2Cc1ccccc1 962671772 SRZYZKKSDACHDU-CZNDPXEESA-N 554.090 6.136 50 1 KKGF CCCC(=O)O[C@]1(C(=O)CCl)[C@@H](C)C[C@H]2[C@@H]3CCC4=C[C@]5(C=C[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C)N[C@H](C(=O)O)Cc1c(Cl)cc(F)c(F)c15 962974671 KYGUCSOLNZMYCX-UEIJGHENSA-N 696.590 6.558 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](C)(c2oc3ccccc3c2NC(=O)[C@H](C)Cl)N1 963159813 HLTZKNQDNHSRJR-SJEYEEPCSA-N 685.224 7.542 50 1 KKGF C=CCOC(=O)[C@@H]1Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2[C@](c2ccccc2)(c2cc(Cl)ccc2NC(=O)CBr)N1 963169212 FDISJILPSDRRRV-PIFUBOJPSA-N 772.143 8.246 50 1 KKGF COc1cc2nccc(Oc3ccc(NC(=O)N/N=C/c4cn(-c5cccc(C(F)(F)F)c5)nn4)cc3)c2cc1OC 1857576309 MQQZHWQPGZMUNO-ROPCREHHSA-N 577.523 5.799 50 1 KKGF COc1cc2oc(-c3ccc(OCCCCCOC(=O)c4ccc(N(CCCl)CCCl)cc4)cc3)cc(=O)c2c(O)c1OC 1857771190 XAFXDUVWGNMZPO-UHFFFAOYSA-N 644.548 6.873 50 1 KKGF COc1cc2oc(-c3ccc(OCCCCOC(=O)c4ccc(N(CCCl)CCCl)cc4)cc3)cc(=O)c2c(O)c1OC 1857772788 XFBZPPWZJKYTKE-UHFFFAOYSA-N 630.521 6.483 50 1 KKGF CN[C@@H]1CSSCc2c(-c3oc4cc(O)c5c(c4c(=O)c3O)O[C@H]3C[C@H]4c6c-5cc(CCCO)c5cccc(c65)[C@@H](SSCCC[C@@H]3O)[C@H]4O)cc(CC(C)C)c(O)c2Cc2cccc1c2 2356291680 AUIPNDIKACUGRY-OOWLKGJCSA-N 966.278 10.453 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](O)SS[C@H]3C=Cc4c(ccnc4N3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356299643 GJYUDCWJEHNJOC-ZQSOMSEDSA-N 906.180 9.035 50 1 KKGF CCC1(C=C2OC(=O)C3=C2CC[C@H]2[C@H]3[C@]34CC[C@H]2C2=C3C(=O)OC4=CC[C@H](C3CCC(CCCO)CC3)[C@H](NC[C@H](C)O)SSCNc3cc(ccn3)[C@H]2CN2C(=O)C=CC2=O)CCCC1 2356301133 REKSFDNMCMQDCG-VSUDHBCLSA-N 939.254 8.618 50 1 KKGF CC1(C)C[C@H](n2ccnc2)CSSC[C@H]2C[C@H]3[C@H]4[C@H](O)[C@H]5C6=C(CCC[C@@H]6[C@@H]4CC[C@@H]4C[C@@H]6C(=CC(=O)[C@@H]7C[C@H](O)[C@H](O)C[C@]67C)[C@]2(O)[C@@]34C)[C@H]2C(=C51)CCCC21CCCC1 2356364598 ZMPDNFZALLLMHE-NKSVETSKSA-N 869.291 9.677 50 1 KKGF COc1c(O)c(OCCC(C)C)cc([C@@H]2Oc3cc(OCCO)c4c5c3[C@H](CSS[C@H]3C=CC[C@@H](CC[C@@H](c6cc(O)ccc6-4)[C@@H]5CO)C3)[C@@H]2O)c1O 2356372734 LJLQIFPLZYHBDV-DIYUEDBYSA-N 766.975 7.536 50 1 KKGF CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1C[C@H](O)[C@@]2(C)[C@H]3CC[C@@H]4[C@H]([C@@](C)(O)CC=CC(C)(C)OO)CC[C@@]4(C)[C@]3(C)CC[C@@H]2C1(C)C 2356599156 PNIOLRUIMUJAKL-BUBHYBDQSA-N 759.210 12.781 50 1 KKGF C=CC1=C(C)C2=NC1=CC1=NC(=CC3=NC4=C(C(=O)OC(=O)C4=C3C)C3=NC(=C2)[C@@H](C)[C@H]3CCC(=O)OC)C(CC)=C1C 2356811340 BNJIWSZTEYMVAX-LAUBAEHRSA-N 576.653 5.559 50 1 KKGF CCCC=C1OC(=O)C2=C1CC[C@H]1[C@H]2[C@]23CC[C@H]1C1=C2C(=O)OC3=CC[C@H](C)CSSCN[C]2C=C(C=CN2)[C@H]1CCCO 2356816850 ZQMICJAJYDRMBB-QUKBYREGSA-N 635.872 6.587 50 1 KKGF CC[C@@H]1CCC(=O)CC(=O)C2=Cc3cc(OC)c(O)cc3[C@@H](CC2)c2cnc(N)c(c2)[C@H]([C@]23CC4(CCCC4)C[C@@H]2C=CC2=CNCN23)SSC1 2356856189 RYJXKDJVNINCMG-LKENHEOUSA-N 727.009 8.441 50 1 KKGF CCCCCC(=O)OC[C@]12CC=C(C(C)(C)OO)[C@@H]1[C@H](OC(=O)c1cccnc1)C[C@]1(C)O[C@H]1CCC(C)=C[C@@H]2OC(=O)c1cccnc1 2356871846 YLQVZIPYGBZEBF-SUSJRFOFSA-N 676.807 6.840 50 1 KKGF CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)[C@@H](OP(=O)(c2ccccc2)c2ccccc2)[C@@H]2CC[C@H](C)[C@H](CC[C@H]3C[C@@H](O)CC(=O)O3)[C@H]12 49672553 OWEDJIZMZBDWGA-NKXOAGLYSA-N 638.782 6.814 50 1 KKGF O=C(N/N=C/c1ccc2c(c1)Cc1ccccc1-2)c1sc(C(=O)N/N=C/c2ccc3c(c2)Cc2ccccc2-3)c2c1OCCO2 49680057 CALAGCXOJNCDMI-RIOOQTRLSA-N 610.695 6.190 50 1 KKGF O=C(CBr)Nc1cccc(CN2C(=O)CN(c3ccc(OC(F)(F)F)cc3)C(=O)c3sccc32)c1 73164174 CLHRWQVWIOIRLW-UHFFFAOYSA-N 568.371 5.174 50 1 KKGF Cc1cc2cc(C(=O)O)cc(O[C@@H]3O[C@H](CO)[C@]4(CC[C@@H]5CCC[C@H]6COC[C@](CCO)(CSSCO4)[C@H]56)[C@H](O)[C@H]3O)c2c(O)c1C(=O)CCc1ccccc1 85511259 CDLJSPAPJITIQM-PIMWHPIVSA-N 813.000 5.505 50 1 KKGF biogenic,in-vitro C=C1CC[C@@H]2[C@](C)(COC(=O)CCCC[C@@H]3CCSS3)[C@H](OC(=O)CCCC[C@@H]3CCSS3)CC[C@@]2(C)[C@@H]1/C=C/C1=CCOC1=O 96924244 SBNMURCHMDQKIX-VTDCGWIJSA-N 709.074 9.298 50 1 KKGF CCOC(=O)C1=C(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H](c2ccccc2)N(C(=O)CCl)[C@@H]1c1ccccc1 100078320 RZDVJJXLJLYIMX-YIXXDRMTSA-N 585.034 5.071 50 1 KKGF CC[C@H](C)[C@@H](NC(=O)c1nc(-c2nc(C(CBr)(OC)OC)oc2C)oc1-c1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](COC(C)(C)C)c1nc(-c2nc(C(N)=S)co2)c(C)o1)C(C)C 150546292 YODRICZSRPGIDX-KITINDFRSA-N 955.930 6.689 50 1 KKGF O=C(OCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1cc(O)c(O)c(O)c1 169615580 WZWZUQQPLCBFBD-UHFFFAOYSA-O 543.620 6.295 50 1 KKGF CCOC(=O)CN(Cc1cc(OC)cc(N(C)C)c1OC)C(=O)[C@H]1CC(CO[Si](C)(C)C(C)(C)C)=CN1C(=O)OC(C)(C)C 195430063 NWBPWAUUGNNWGK-AREMUKBSSA-N 635.875 5.577 50 1 KKGF CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(=CC#N)COC(=O)CCCCCCCCC/C=C\CCCCCCCC 238776437 HBVOYIARCFOVMH-CLFAGFIQSA-N 698.130 14.158 50 1 KKGF COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 238809557 WBXYUFMFVHCXRR-NKNKRSNTSA-N 683.882 6.083 50 1 KKGF CC1(C)C[C@@H](Cl)CN(CCCC[C@@H](C(=O)OCCc2ccccc2)N2C[C@@H](Cl)CC(C)(C)C2)C1 299871124 XUZGGFXWWABXAF-DSITVLBTSA-N 511.578 5.990 50 1 KKGF Cc1cc([C@@]2(CCl)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 587329180 XLCIKVPCRDYTFU-IXCJQBJRSA-N 544.837 7.739 50 1 KKGF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(C(Br)Br)O2 587374788 QJXKRABEVBUBHL-QGZVFWFLSA-N 504.016 5.316 50 1 KKGF COc1c(C(C)(C)C)cc(P(c2cc(C(C)(C)C)c(OC)c(C(C)(C)C)c2)c2ccccc2[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C(C)(C)C 587607230 LLAQXJTWDMRGEU-KAFYBFJGSA-N 786.990 11.061 50 1 KKGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CBr)(c2ccc(F)cc2Br)N1 587728371 RXWNHJYKHHRUHR-HUTHGQBESA-N 510.014 5.663 50 1 KKGF COc1cc(CBr)c(OCC[C@H](C)CCCC(C)C)cc1CC#CCNC(=O)Cc1ccc(Cl)cc1Cl 587874885 JJYUJQVPOWJTJZ-JOCHJYFZSA-N 611.448 8.033 50 1 KKGF CC1=C(C#N)[C@H](c2cccc3ccccc23)C2=C(CC(C)(C)C[C@]23c2ccccc2C[C@]2(C4CCC4)C(=O)NC(=O)N32)N1 962657847 DJOXJSAMOICXFJ-LJDVJVEBSA-N 568.721 6.941 50 1 KKGF CCCC(=O)O[C@@H]1[C@@H](C)[C@@]2(O)[C@@H](C=C(C=O)C[C@@]3(O)[C@H]2C=C(C)[C@]32c3cccc(F)c3CCN2[C@H]2CCSC2)[C@@H]2C(C)(C)[C@]12OC(=O)CCC 962696381 DVQOTMWLRRIRMU-GFIOFNCMSA-N 709.921 5.668 50 1 KKGF NC(=O)N1CCc2sccc2[C@@]1(c1c(Cl)ccc(F)c1Cl)C(Br)Br 962719200 VYJVRDYEFGMIAK-OAHLLOKOSA-N 517.045 5.490 50 1 KKGF COC(=O)c1ccc([C@]2(C(Br)Br)c3cccc(Br)c3CCN2C)s1 963281623 TXEXYYIUKBUTOJ-KRWDZBQOSA-N 538.099 5.145 50 1 KKGF O=C(O)[C@@H]1C[C@]23[C@H](Cl)C(Cl)=C(Cl)[C@H](Cl)[C@]2(C[C@H]1c1c2ccc(=O)c(O)c-2oc2c(O)c(O)ccc12)C3(Cl)Cl 1857545125 ADUXZDNWGRINDQ-TXOAIPQSSA-N 641.114 6.671 50 1 KKGF C=C(C=CC=C(COC1(O)CCCC1)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@@H]1CCO)C[C@]2(O)CCNC)[C@@H]1CC=C(C)[C@@H](O)N[C@](C)(CCOC)Cc2cccc(c2)C1 2356351929 IBANCOZCIYDINR-NISUDBDZSA-N 857.186 6.577 50 1 KKGF CC(=O)O[C@@H]1C[C@H](O)CC[C@@]23C#C[C@H]4C[C@H]5CC[C@@H](NCCSSC[C@]6(C[C@H]7C=C[C@@H]8CCC[C@@]8(C7)C6)NC(=N)N[C@@H]2C=CC[C@@H]3O)[C@@]2(C5)C[C@@H](CCN2)Oc2cc(c(C(O)O)cc2O)C[C@@H]41 2356358750 WDVBKYSAIBJKTM-RALWMXLHSA-N 960.317 5.742 50 1 KKGF CCOC(=O)C1=C(C=O)C(=C2C[C@@H](c3ccc4[nH]ccc4c3)C(=O)[C@@H](CO)C2)c2c(c(CO)c3c(c2O[C@@H]2CCCC(O)(O)C2)C[C@H]([C@](C)(O)[C@@H]2CCN(CCCOC)[C@@H](CC)C2)O3)O1 2356375928 MSBBLZDGBKDJQF-KIAOBWDMSA-N 901.063 5.161 50 1 KKGF CCCCCCCCCCCCCC(=O)OCCC[C@@H]1C(=C(C)C=O)CC[C@](C)(O)[C@@]1(C)CCC=C(C)[C@H](CC=C(C)CCC=C(C)C)OC(C)=O 2356486522 VZDZTJNMGHFQEZ-OMFJLMHKSA-N 727.124 12.435 50 1 KKGF C=C(C=CC=C([C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@]2(O)CCNC)[C@@H]1O)[C@H](O)CCc1ccccc1)[C@@H]1CC=C(C)CN[C@@H](C)Cc2cccc(c2)C1 2356520818 ZVSACEGTFQLLRK-YNXDTAFOSA-N 779.119 7.544 50 1 KKGF CCCCCCCC[C@H](Cl)[C@H](Cl)[C@H](O)[C@H](Cl)[C@@H](Cl)[C@@H](Cl)CCCCCCCCC(Cl)=COS(=O)(=O)O 2356558433 ACRMTHSZHIGDGF-OVUYMFTPSA-N 655.380 9.155 50 1 KKGF C=C(C=CC=C(CO)[C@@H]1CC[C@]2([C@@H]1O)[C@H]1C(=C(C)C=O)[C@@H](C=C[C@H]1CCO)C[C@]2(O)CCNC)C1(CC=C(C)C)CCCC1 2356562626 YJOUVDGDSWRJKH-WXUWHQDNSA-N 607.876 5.752 50 1 KKGF C[C@@H]1CC=C[C@](C)([C@H]2C[C@H]3CSSC[C@@H](C)NCc4ccccc4Cc4cc(O)cc(c4)C[C@@H](C3)C2)C1 2356616620 ZUTGYYMJMBNNFI-QXGAVKSQSA-N 535.863 8.424 50 1 KKGF C[Si](C)(C)O[C@@H]1[C@H](O[Si](C)(C)C)[C@@H](O[Si](C)(C)C)[C@H](O[Si](C)(C)C)O[C@@H]1CC(=O)OCc1cn([Si](C)(C)C)c2ccccc12 2356683786 DIMILTCIDYCFLW-RWUKFNQSSA-N 698.243 7.994 50 1 KKGF C=C(C=CC=C(COCC)[C@@H]1CC[C@]2([C@H](CCCO)C(=C(C)C=O)CC[C@@]2(O)CCNC)[C@@H]1O)CCC=C(C)CNCC 2356717224 KOONJTGWWJENFE-UJXAMPMZSA-N 600.885 5.194 50 1 KKGF COC1=C(CO)C(=O)OC1=C1OC2=CCCN3[C@H](C[C@@H]4[C@@H]5[C@@H]3[C@H](O)[C@@H]3C[C@H](C6CCCC6)CC=C3[C@H]3C=C[C@H]5[C@@]5(CC[C@@H](CSS3)C5)[C@@H]4c3ccccc3)[C@H]2[C@H]1C 2356822059 FRTOYPMUODMWEO-WFZUOEBFSA-N 810.135 8.930 50 1 KKGF CC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@@H]5[C@H](C[C@@H]4[C@H]3CC[C@H]2C1)O[C@]1(OC[C@H](C)C[C@@H]1Br)[C@H]5C 299848196 UZOSLJNYISOLSY-LRJJXEJQSA-N 549.546 5.837 50 3 KKGF in-vitro